GPCRdb

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Ligand source activities (1 row/activity)

Affinity
Potency

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	Ligands				Receptor	Activity									Chemical information
	Common name	GPCRdb ID	Reference ligand	Vendors	Species	Assay Type	Activity Type	Activity Relation	Activity Value	p-value (-log)	Fold selectivity	Tested GPCRs	Assay Description	Source	Mol weight	Rot Bonds	H don	H acc	LogP	Smiles	DOI

Ligands				Receptor	Activity									Chemical information
Common name	GPCRdb ID	Reference ligand	Vendors	Species	Assay Type	Activity Type	Activity Relation	Activity Value	p-value (-log)	Fold selectivity	Tested GPCRs	Assay Description	Source	Mol weight	Rot Bonds	H don	H acc	LogP	Smiles	DOI

caffeine	779	None	49	Human	Binding	AC50	=	12999.90	4.89	-	16	Binding affinity towards human NTSR1 in an in vitro assay with cellular components measured by scintillation proximity assay	ChEMBL	194.1	0	0	6	-1.03	Cn1c(=O)c2c(ncn2C)n(C)c1=O	https://dx.doi.org/10.1038/s41467-023-40064-9
CHEMBL1086461	7388	None	0	Human	Binding	IC50	=	700.00	6.16	-	1	Displacement of [3H]neurotensin from NTR1 in human HT29 cells after 30 mins by liquid scintillation spectrometry	ChEMBL	1710.9	55	22	24	-3.23	CSCC[C@H](NC(=O)CCCCn1cc(CCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O)nn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)O	https://dx.doi.org/10.1016/j.bmcl.2010.04.038
CHEMBL1086462	210955	None	0	Human	Binding	IC50	=	1.00	9.00	-	1	Displacement of [3H]neurotensin from NTR1 in human HT29 cells after 30 mins by liquid scintillation spectrometry	ChEMBL	-	-	-	-	-	-	https://dx.doi.org/10.1016/j.bmcl.2010.04.038
CHEMBL1086463	7389	None	0	Human	Binding	IC50	=	8300.00	5.08	-	1	Displacement of [3H]neurotensin from NTR1 in human HT29 cells after 30 mins by liquid scintillation spectrometry	ChEMBL	1790.9	57	23	25	-3.11	CSCC[C@H](NC(=O)CCCCn1cc(CCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O)nn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)OP(=O)(O)O	https://dx.doi.org/10.1016/j.bmcl.2010.04.038
CHEMBL1170627	10677	None	0	Human	Binding	Kd	=	5.71	8.24	-	1	Binding affinity to human NTS1R assessed as dissociation constant	ChEMBL	787.5	22	10	9	1.07	CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)CCCCN)C(C)(C)C)C(=O)O	https://dx.doi.org/10.1016/j.ejmech.2023.115386
CHEMBL1178333	11147	None	0	Rat	Binding	Kd	=	300.00	6.52	-	1	Equilibrium dissociation constant at cloned rat Neurotensin receptor (NT) receptor expressed in CHO-K1 cells; 0.3-0.7 uM	ChEMBL	834.5	27	10	8	3.56	CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1[nH]c2c(OCCCCCN=C(N)N)cccc2c1CCCCCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)O	https://dx.doi.org/10.1016/S0960-894X(01)80338-3
CHEMBL1178334	11148	None	0	Rat	Binding	Kd	=	300.00	6.52	-	1	Equilibrium dissociation constant at cloned rat Neurotensin receptor (NT) receptor expressed in CHO-K1 cells; 0.3-0.7 uM	ChEMBL	750.5	25	8	8	4.93	CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1[nH]c2c(OCCCCCN)cccc2c1CCCCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O	https://dx.doi.org/10.1016/S0960-894X(01)80338-3
CHEMBL1178343	11152	None	0	Rat	Binding	Kd	=	300.00	6.52	-	1	Equilibrium dissociation constant at cloned rat Neurotensin receptor (NT) receptor expressed in CHO-K1 cells; 0.3-0.7 uM	ChEMBL	857.5	27	10	7	4.34	CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1[nH]c2c(OCCCCCN=C(N)N)cccc2c1CCCCCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)O	https://dx.doi.org/10.1016/S0960-894X(01)80338-3
CHEMBL1200171	14370	None	0	Human	Binding	EC50	=	10.60	7.97	-	4	Binding affinity to human NTR1 by gamma counting	ChEMBL	816.5	22	9	8	1.43	CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)CCC[N+](C)(C)C)C(C)(C)C)C(=O)O	https://dx.doi.org/10.1021/jm100092s
CHEMBL129953	19542	None	0	Human	Binding	IC50	=	0.34	9.47	-	2	Evaluated for binding affinity by inhibiting binding of [125I]-Tyr(3)-NT to human Neurotensin receptor 1	ChEMBL	817.5	23	10	10	0.12	CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)NC(=O)[C@@H](N)CCC[N+](C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O	https://dx.doi.org/10.1021/jm0300633
CHEMBL132409	22352	None	0	Human	Binding	IC50	=	0.40	9.40	-	2	Evaluated for binding affinity by inhibiting binding of [125I]-Tyr(3)-NT to human Neurotensin receptor 1	ChEMBL	816.5	23	11	11	-1.52	CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC/N=C(/N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)O	https://dx.doi.org/10.1021/jm0300633
CHEMBL132507	22472	None	0	Human	Binding	IC50	=	0.40	9.40	-	2	Evaluated for binding affinity by inhibiting binding of [125I]-Tyr(3)-NT to human Neurotensin receptor 1	ChEMBL	816.5	24	9	11	0.15	CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC/N=C(/N)NC(=O)[C@@H](N)CCCCN(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O	https://dx.doi.org/10.1021/jm0300633
CHEMBL132524	22489	None	0	Human	Binding	IC50	=	0.30	9.52	-	2	Evaluated for binding affinity by inhibiting binding of [125I]-Tyr(3)-NT to human Neurotensin receptor 1	ChEMBL	844.5	24	12	13	-1.73	CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC/N=C(/N)NC(=O)[C@@H](N)CCCNC1NCCN1)C(=O)N[C@@H](CC(C)C)C(=O)O	https://dx.doi.org/10.1021/jm0300633
CHEMBL132794	22791	None	0	Human	Binding	IC50	=	0.51	9.29	-	2	Evaluated for binding affinity by inhibiting binding of [125I]-Tyr(3)-NT to human Neurotensin receptor 1	ChEMBL	845.6	25	10	10	0.90	CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)NC(=O)[C@@H](N)CCCCC[N+](C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O	https://dx.doi.org/10.1021/jm0300633
CHEMBL133340	23466	None	0	Human	Binding	IC50	=	0.24	9.62	-	2	Evaluated for binding affinity by inhibiting binding of [125I]-Tyr(3)-NT to human Neurotensin receptor 1	ChEMBL	788.5	23	10	11	-0.58	CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC/N=C(/N)NC(=O)[C@@H](N)CCCNC)C(=O)N[C@@H](CC(C)C)C(=O)O	https://dx.doi.org/10.1021/jm0300633
CHEMBL133378	23519	None	0	Human	Binding	IC50	=	0.36	9.44	-	2	Evaluated for binding affinity by inhibiting binding of [125I]-Tyr(3)-NT to human Neurotensin receptor 1	ChEMBL	802.5	23	9	11	-0.24	CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC/N=C(/N)NC(=O)[C@@H](N)CCCN(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O	https://dx.doi.org/10.1021/jm0300633
CHEMBL133798	24022	None	0	Human	Binding	IC50	=	1.60	8.80	-	2	Evaluated for binding affinity by inhibiting binding of [125I]-Tyr(3)-NT to human Neurotensin receptor 1	ChEMBL	831.5	24	10	10	0.51	CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)NC(=O)[C@@H](N)CCCC[N+](C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O	https://dx.doi.org/10.1021/jm0300633
CHEMBL133849	24103	None	0	Human	Binding	IC50	=	0.52	9.28	-	2	Evaluated for binding affinity by inhibiting binding of [125I]-Tyr(3)-NT to human Neurotensin receptor 1	ChEMBL	816.5	25	10	11	0.20	CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC/N=C(/N)NC(=O)[C@@H](N)CCCCCNC)C(=O)N[C@@H](CC(C)C)C(=O)O	https://dx.doi.org/10.1021/jm0300633
CHEMBL133850	24104	None	0	Human	Binding	IC50	=	0.28	9.55	-	2	Evaluated for binding affinity by inhibiting binding of [125I]-Tyr(3)-NT to human Neurotensin receptor 1	ChEMBL	830.5	25	9	11	0.55	CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC/N=C(/N)NC(=O)[C@@H](N)CCCCCN(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O	https://dx.doi.org/10.1021/jm0300633
CHEMBL138970	211216	None	0	Human	Binding	IC50	=	1.30	8.89	-	1	Compound was evaluated for the binding affinity against human neurotensin receptor (hNTR)-1 expressed in CHO cells	ChEMBL	-	-	-	-	-	CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN)NC(=O)[C@@H](N)CCCN)C(=O)N[C@@H](CC(C)C)C(=O)O	https://dx.doi.org/10.1016/s0960-894x(00)00018-4

Showing 1 to 20 of 588 entries

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	Ligands				Receptor	Activity									Chemical information
	Common name	GPCRdb ID	Reference ligand	Vendors	Species	Assay Type	Activity Type	Activity Relation	Activity Value	p-value (-log)	Fold selectivity	Tested GPCRs	Assay Description	Source	Mol weight	Rot Bonds	H don	H acc	LogP	Smiles	DOI

Ligands				Receptor	Activity									Chemical information
Common name	GPCRdb ID	Reference ligand	Vendors	Species	Assay Type	Activity Type	Activity Relation	Activity Value	p-value (-log)	Fold selectivity	Tested GPCRs	Assay Description	Source	Mol weight	Rot Bonds	H don	H acc	LogP	Smiles	DOI

ABS-201	225	None	0	Mouse	Functional	pIC50	=	-	8.00	-	1	Unclassified	Guide to Pharmacology	-	-	-	-	-	CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)CCCCCN)C(C)(C)C)C(=O)O	https://pubmed.ncbi.nlm.nih.gov/22459147
ABS-201	225	None	0	Mouse	Functional	pIC50	=	-	8.00	-	1	Unclassified	Guide to Pharmacology	-	-	-	-	-	CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)CCCCCN)C(C)(C)C)C(=O)O	https://pubmed.ncbi.nlm.nih.gov/31770520
ABS-212	226	None	0	Rat	Functional	pIC50	=	-	7.64	-	1	Unclassified	Guide to Pharmacology	-	-	-	-	-	-	https://pubmed.ncbi.nlm.nih.gov/20481538
ABS-212	226	None	0	Rat	Functional	pIC50	=	-	7.64	-	1	Unclassified	Guide to Pharmacology	-	-	-	-	-	-	https://pubmed.ncbi.nlm.nih.gov/30986796
CHEMBL1200171	14370	None	0	Rat	Functional	EC50	=	27.90	7.55	-2	4	Agonist activity at rat NTR1 expressed in LTK cells assessed as calcium mobilization	ChEMBL	816.5	22	9	8	1.43	CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)CCC[N+](C)(C)C)C(C)(C)C)C(=O)O	https://dx.doi.org/10.1021/jm100092s
CHEMBL1299997	19584	None	7	Human	Functional	EC50	=	4260.00	5.37	-	1	PUBCHEM_BIOASSAY: Dose Response confirmation of Image-Based HTS for Selective Agonists for NTR1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493036, AID493055]	ChEMBL	206.1	3	0	3	2.39	C/C(=C\c1ccc(N(C)C)cc1)[N+](=O)[O-]	-
CHEMBL1301125	19737	None	1	Human	Functional	EC50	=	3270.00	5.49	-9	3	PUBCHEM_BIOASSAY: Dose Response confirmation of Image-Based HTS for Selective Agonists for NTR1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493036, AID493055]	ChEMBL	487.1	4	0	7	4.50	COC(=O)C[C@]1(C(=O)OC)CN(C#N)N(c2ccc(Cl)cc2)C12c1ccccc1-c1ccccc12	-
CHEMBL1302946	19964	None	3	Human	Functional	EC50	=	13000.00	4.89	-1	3	PUBCHEM_BIOASSAY: Dose Response confirmation of Image-Based HTS for Selective Agonists for NTR1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493036, AID493055]	ChEMBL	372.1	3	1	5	2.85	Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cnn(-c4ccccc4)c3)C2=O)c1	-
CHEMBL1303193	19994	None	5	Human	Functional	EC50	=	5800.00	5.24	-7	3	PUBCHEM_BIOASSAY: Dose Response confirmation of Image-Based HTS for Selective Agonists for NTR1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493036, AID493055]	ChEMBL	413.2	5	0	5	5.41	COc1cc2c3nnc(-c4ccccc4)c-3cn(Cc3ccccc3F)c2cc1OC	-
CHEMBL1308657	20671	None	9	Human	Functional	EC50	=	3590.00	5.45	-	1	PUBCHEM_BIOASSAY: Dose Response confirmation of Image-Based HTS for Selective Agonists for NTR1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493036, AID493055]	ChEMBL	431.1	5	0	5	5.55	COc1cc2c3nnc(-c4ccc(F)cc4)c-3cn(Cc3cccc(F)c3)c2cc1OC	-
CHEMBL1310644	20904	None	1	Human	Functional	EC50	=	22400.00	4.65	-	1	PUBCHEM_BIOASSAY: Dose Response confirmation of Image-Based HTS for Selective Agonists for NTR1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493036, AID493055]	ChEMBL	248.1	3	0	4	2.08	Cc1cc(N2CCOCC2)ccc1/C=C\[N+](=O)[O-]	-
CHEMBL1312502	21147	None	9	Human	Functional	EC50	=	6000.00	5.22	3	2	PUBCHEM_BIOASSAY: Dose Response confirmation of Image-Based HTS for Selective Agonists for NTR1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493036, AID493055]	ChEMBL	449.1	4	1	5	4.89	O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1)c1cc2ccccc2o1	-
CHEMBL1318749	21734	None	8	Human	Functional	EC50	=	15900.00	4.80	-	1	PUBCHEM_BIOASSAY: Dose Response confirmation of Image-Based HTS for Selective Agonists for NTR1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493036, AID493055]	ChEMBL	414.0	5	0	4	5.30	O=C(Oc1ccc(Br)cc1C(=O)/C=C/c1ccccc1F)c1ccco1	-
CHEMBL1321527	22056	None	2	Human	Functional	EC50	=	8090.00	5.09	-	1	PUBCHEM_BIOASSAY: Dose Response confirmation of Image-Based HTS for Selective Agonists for NTR1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493036, AID493055]	ChEMBL	221.1	1	1	2	2.50	Nc1ccccc1C#CC(=O)c1ccccc1	-
CHEMBL1323442	22266	None	5	Human	Functional	EC50	=	3350.00	5.47	-	1	PUBCHEM_BIOASSAY: Dose Response confirmation of Image-Based HTS for Selective Agonists for NTR1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493036, AID493055]	ChEMBL	393.1	7	3	7	1.76	CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2sccc2C(N)=O)c1C	-
CHEMBL1325640	22522	None	4	Human	Functional	EC50	=	9060.00	5.04	-1	3	PUBCHEM_BIOASSAY: Dose Response confirmation of Image-Based HTS for Selective Agonists for NTR1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493036, AID493055]	ChEMBL	257.1	4	0	4	2.79	CN(C)c1ccc(-n2cccc2/C=C/[N+](=O)[O-])cc1	-
CHEMBL1328169	22825	None	7	Human	Functional	EC50	=	6210.00	5.21	2	2	PUBCHEM_BIOASSAY: Dose Response confirmation of Image-Based HTS for Selective Agonists for NTR1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493036, AID493055]	ChEMBL	436.2	5	0	8	4.95	Cc1cc(C)n(-c2nc(N(c3ccccc3)c3ccccc3)nc(-n3nc(C)cc3C)n2)n1	-
CHEMBL1328520	22864	None	13	Human	Functional	EC50	=	9390.00	5.03	-	1	PUBCHEM_BIOASSAY: Dose Response confirmation of Image-Based HTS for Selective Agonists for NTR1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493036, AID493055]	ChEMBL	265.1	2	0	4	3.15	COc1cc2c(cc1OC)C(SC)=NC(C)(C)C2	-
CHEMBL1330390	23075	None	5	Human	Functional	EC50	=	9060.00	5.04	1	2	PUBCHEM_BIOASSAY: Dose Response confirmation of Image-Based HTS for Selective Agonists for NTR1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493036, AID493055]	ChEMBL	405.1	3	1	4	4.11	Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccc(Cl)cc3)C2=O)c1	-
CHEMBL1332241	23315	None	5	Human	Functional	EC50	=	12100.00	4.92	-1	2	PUBCHEM_BIOASSAY: Dose Response confirmation of Image-Based HTS for Selective Agonists for NTR1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493036, AID493055]	ChEMBL	361.1	2	1	4	2.89	CN1C(=O)/C(=C/c2cccn2-c2ccc3ccccc3c2)C(=O)NC1=S	-

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Ligand source activities (1 row/activity)