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Ligand source activities (1 row/activity)

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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

(hydroxymethylphenyl)agomelatine	1956	None	0	Human	Binding	Ki	=	275.00	6.56	-741	2	Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK293 cells	ChEMBL	349.2	6	2	3	3.69	COc1ccc2cc(-c3cccc(CO)c3)cc(CCNC(C)=O)c2c1	https://dx.doi.org/10.1016/j.bmc.2008.08.052
2-(indolin-1yl)-melatonin	69	None	0	Human	Binding	Ki	=	114.82	6.94	-91	2	Displacement of 2-[125I]iodoMLT from human MT1 receptor stably expressed in CHO cells incubated for 60 mins by Cheng-Prusoff equation analysis	ChEMBL	363.2	6	2	3	3.42	COc1ccc2[nH]c(CN3CCc4ccccc43)c(CCNC(C)=O)c2c1	https://dx.doi.org/10.1016/j.ejmech.2022.114762
2-(indolin-1yl)-melatonin	69	None	0	Human	Binding	Ki	=	101.00	7.00	-91	2	Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cells	ChEMBL	363.2	6	2	3	3.42	COc1ccc2[nH]c(CN3CCc4ccccc43)c(CCNC(C)=O)c2c1	https://dx.doi.org/10.1021/jm800974d
2-(indolin-1yl)-melatonin	69	None	0	Human	Binding	Ki	=	114.82	6.94	-91	2	Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cells	ChEMBL	363.2	6	2	3	3.42	COc1ccc2[nH]c(CN3CCc4ccccc43)c(CCNC(C)=O)c2c1	https://dx.doi.org/10.1021/jm800974d
2-iodo-melatonin	70	None	34	Human	Binding	pKi	=	-	10.60	4	3	Unclassified	Guide to Pharmacology	358.0	4	2	2	2.46	COc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1	https://pubmed.ncbi.nlm.nih.gov/12764576
2-iodo-melatonin	70	None	34	Human	Binding	pKi	=	-	10.60	4	3	Unclassified	Guide to Pharmacology	358.0	4	2	2	2.46	COc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1	https://pubmed.ncbi.nlm.nih.gov/2991499
2-iodo-melatonin	70	None	34	Human	Binding	Ki	=	0.07	10.17	4	3	Displacement of [125I]2-iodomelatonin from human recombinant MT1 receptor expressed in African green monkey COS7 cells	ChEMBL	358.0	4	2	2	2.46	COc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1	https://dx.doi.org/10.1021/jm401343c
2-iodo-melatonin	70	None	34	Human	Binding	Ki	=	0.01	10.89	4	3	Inhibition of 2-[125I]iodomelatonin binding to human Melatonin receptor type 1A expressed in HEK293 cells	ChEMBL	358.0	4	2	2	2.46	COc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1	https://dx.doi.org/10.1021/jm011053+
2-iodo-melatonin	70	None	34	Human	Binding	IC50	=	1.00	9.00	4	3	Melatonin receptor type 1A binding affinity measured using 2-[125I]iodomelatonin on ovine pars tuberalis membrane homogenates.	ChEMBL	358.0	4	2	2	2.46	COc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1	https://dx.doi.org/10.1021/jm980026p
2-iodo-melatonin	70	None	34	Human	Binding	Ki	=	0.08	10.10	4	3	Displacement of 2-[125I]iodomelatonin from human Melatonin receptor type 1A expressed in CHO cells	ChEMBL	358.0	4	2	2	2.46	COc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1	https://dx.doi.org/10.1016/S0960-894X(97)00444-7
2-methoxy-α,β-didehydro-agomelatine	78	None	0	Human	Binding	pKi	=	-	10.50	2	2	Unclassified	Guide to Pharmacology	271.1	4	1	3	2.96	COc1ccc2ccc(OC)c(/C=C/NC(C)=O)c2c1	https://pubmed.ncbi.nlm.nih.gov/23265885
2-methoxy-α,β-didehydro-agomelatine	78	None	0	Human	Binding	Ki	=	0.03	10.52	2	2	Displacement of [125I]2-iodomelatonin from human recombinant MT1 receptor expressed in HEK293 cells after 2 hrs by gamma counting	ChEMBL	271.1	4	1	3	2.96	COc1ccc2ccc(OC)c(/C=C/NC(C)=O)c2c1	https://dx.doi.org/10.1016/j.bmcl.2012.11.069
4P-PDOT	124	None	34	Human	Binding	pKi	None	-	6.70	-870	2	Unclassified	Guide to Pharmacology	279.2	3	1	1	3.66	CCC(=O)NC1Cc2ccccc2C(c2ccccc2)C1	https://pubmed.ncbi.nlm.nih.gov/12764576
4P-PDOT	124	None	34	Human	Binding	pKi	None	-	6.70	-870	2	Unclassified	Guide to Pharmacology	279.2	3	1	1	3.66	CCC(=O)NC1Cc2ccccc2C(c2ccccc2)C1	https://pubmed.ncbi.nlm.nih.gov/9089668
4P-PDOT	124	None	34	Human	Binding	pKi	None	-	6.70	-870	2	Unclassified	Guide to Pharmacology	279.2	3	1	1	3.66	CCC(=O)NC1Cc2ccccc2C(c2ccccc2)C1	https://pubmed.ncbi.nlm.nih.gov/9737724
4P-PDOT	124	None	34	Human	Binding	Ki	=	59.00	7.23	-870	2	Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cells	ChEMBL	279.2	3	1	1	3.66	CCC(=O)NC1Cc2ccccc2C(c2ccccc2)C1	https://dx.doi.org/10.1021/jm800974d
4P-PDOT	124	None	34	Human	Binding	Ki	=	501.00	6.30	-870	2	Displacement of [125I]2-iodomelatonin from human recombinant MT1 receptor expressed in African green monkey COS7 cells	ChEMBL	279.2	3	1	1	3.66	CCC(=O)NC1Cc2ccccc2C(c2ccccc2)C1	https://dx.doi.org/10.1021/jm401343c
4P-PDOT	124	125I-Iodomelatonin	34	Human	Binding	pKi	=	466.00	6.33	-870	2	-	PDSP KiDatabase	279.2	3	1	1	3.66	CCC(=O)NC1Cc2ccccc2C(c2ccccc2)C1	-
4P-PDOT	124	None	34	Human	Binding	Ki	=	104.71	6.98	-870	2	Inhibition of 2-[125I]iodomelatonin binding to human melatonin receptor type 1A (MT1) expressed in NIH3T3 rat fibroblast cells	ChEMBL	279.2	3	1	1	3.66	CCC(=O)NC1Cc2ccccc2C(c2ccccc2)C1	https://dx.doi.org/10.1021/jm048956y
5-HEAT	137	None	6	Human	Binding	pKi	None	-	7.80	4	2	Unclassified	Guide to Pharmacology	262.1	6	3	3	1.22	CC(=O)NCCc1c[nH]c2ccc(OCCO)cc12	https://pubmed.ncbi.nlm.nih.gov/11068946

Showing 1 to 20 of 1,389 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

5-MeO-DMT	140	None	16	Human	Functional	EC50	=	257.00	6.59	-131	30	Agonist activity at human melatonin receptor-1 transfected in CHO cell membranes after 1 hr by GTPgammaS binding assay	ChEMBL	218.1	4	1	2	2.28	COc1ccc2[nH]cc(CCN(C)C)c2c1	https://dx.doi.org/10.1021/acs.jmedchem.5b00245
AAE-M-PBP-amine	216	None	0	Human	Functional	Ki	=	1.17	8.93	-	2	Agonist activity at MT1 receptor (unknown origin) expressed in mouse NIH3T3 cells assessed as inhibition of forskolin-induced cAMP accumulation	ChEMBL	340.2	10	1	3	3.66	CC(=O)NCCN(C)c1cccc(OCCCCc2ccccc2)c1	https://dx.doi.org/10.1021/jm401343c
agomelatine	313	None	72	Human	Functional	EC50	=	1.56	8.81	-3	5	Agonist activity at human MT1 expressed in CHO cell membrane incubated for 1 hr by [35S]GTPgammaS binding assay	ChEMBL	243.1	4	1	2	2.53	COc1ccc2cccc(CCNC(C)=O)c2c1	https://dx.doi.org/10.1016/j.ejmech.2020.112078
agomelatine	313	None	72	Human	Functional	EC50	=	26500.00	4.58	-3	5	Agonist activity at human MT1 receptor transfected in HEK293T cells co-transfected with tet-inducible luciferase reporter plasmid, pCDNA3.1(+)-CMV-betaArrestin2-tev plasmid and TANGO plasmid assessed as tango arrestin recruitment incubated for 24 hrs by TANGO-GPCR assay based luminescence plate reader analysis	ChEMBL	243.1	4	1	2	2.53	COc1ccc2cccc(CCNC(C)=O)c2c1	https://dx.doi.org/10.1039/d2md00156j
agomelatine	313	None	72	Human	Functional	EC50	=	1.40	8.85	-3	5	Agonist activity at human MT1 receptor expressed in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay	ChEMBL	243.1	4	1	2	2.53	COc1ccc2cccc(CCNC(C)=O)c2c1	https://dx.doi.org/10.1016/j.ejmech.2017.10.025
agomelatine	313	None	72	Human	Functional	EC50	=	0.20	9.70	-3	5	Agonist activity at human MT1 receptor expressed in CHO cells after 1 hr by [35S]GTPgammaS binding assay	ChEMBL	243.1	4	1	2	2.53	COc1ccc2cccc(CCNC(C)=O)c2c1	https://dx.doi.org/10.1039/C4MD00149D
agomelatine	313	None	72	Human	Functional	EC50	=	1.40	8.85	-3	5	Intrinsic activity at human MT1 receptor expressed in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay	ChEMBL	243.1	4	1	2	2.53	COc1ccc2cccc(CCNC(C)=O)c2c1	https://dx.doi.org/10.1016/j.ejmech.2016.12.013
agomelatine	313	None	72	Human	Functional	EC50	=	1.40	8.85	-3	5	Intrinsic activity at human MT1 receptor expressed in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay	ChEMBL	243.1	4	1	2	2.53	COc1ccc2cccc(CCNC(C)=O)c2c1	https://dx.doi.org/10.1016/j.ejmech.2015.12.047
agomelatine	313	None	72	Human	Functional	EC50	=	1.60	8.80	-3	5	Agonist activity at human MT1 receptor expressed in CHO cells by [35S]GTPgamma binding assay	ChEMBL	243.1	4	1	2	2.53	COc1ccc2cccc(CCNC(C)=O)c2c1	https://dx.doi.org/10.1016/j.bmc.2010.04.008
agomelatine	313	None	72	Human	Functional	EC50	=	1.56	8.81	-3	5	Agonist potency determined by [35S]GTP gamma-S binding assay using CHO cell lines for Melatonin receptor type 1A	ChEMBL	243.1	4	1	2	2.53	COc1ccc2cccc(CCNC(C)=O)c2c1	https://dx.doi.org/10.1021/jm0255872
AZD7325	554	None	0	Human	Functional	pIC50	=	-	6.90	-	1	Unclassified	Guide to Pharmacology	354.1	5	2	5	3.17	CCCNC(=O)c1nnc2c(-c3c(F)cccc3OC)cccc2c1N	-
BOMPPA	705	None	0	Human	Functional	EC50	=	41.60	7.38	-173	2	Agonist activity at human MT1 receptor expressed in CHO cells coexpressing Galpha protein 16z25 assessed as increase in calcium mobilization measured for 3 mins by FLIPR assay	ChEMBL	341.2	9	1	3	3.75	CCC(=O)NCCCc1cc(OC)ccc1Cc1cccc(OC)c1	https://dx.doi.org/10.1016/j.bmc.2012.10.060
CBOBNEA	814	None	0	Human	Functional	EC50	=	26.10	7.58	-	2	Agonist activity at human MT1 receptor expressed in CHO cells by [35S]GTPgamma binding assay	ChEMBL	497.2	12	2	4	6.12	CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc(-c4ccc(C(=O)O)cc4)cc3)cc12	https://dx.doi.org/10.1016/j.bmc.2010.04.008
CHEMBL1094212	8523	None	0	Human	Functional	EC50	=	2.37	8.62	10	2	Agonist activity at human MT1 receptor expressed in CHO cells by [35S]GTPgamma binding assay	ChEMBL	483.2	12	2	4	5.92	CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc(-c4ccc(CO)cc4)cc3)cc12	https://dx.doi.org/10.1016/j.bmc.2010.04.008
CHEMBL1094545	8567	None	0	Human	Functional	EC50	=	46.20	7.33	-	2	Agonist activity at human MT1 receptor expressed in CHO cells by [35S]GTPgamma binding assay	ChEMBL	511.2	12	1	5	6.21	COC(=O)c1ccc(-c2ccc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc2)cc1	https://dx.doi.org/10.1016/j.bmc.2010.04.008
CHEMBL1095195	8645	None	0	Human	Functional	EC50	=	12.00	7.92	-	2	Agonist activity at human MT1 receptor expressed in CHO cells by [35S]GTPgamma binding assay	ChEMBL	538.3	15	2	4	6.14	C=CCC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12	https://dx.doi.org/10.1016/j.bmc.2010.04.008
CHEMBL1095196	8646	None	0	Human	Functional	EC50	=	2.89	8.54	-	2	Agonist activity at human MT1 receptor expressed in CHO cells by [35S]GTPgamma binding assay	ChEMBL	499.2	12	1	5	5.63	COC(=O)Cc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12	https://dx.doi.org/10.1016/j.bmc.2010.04.008
CHEMBL1095197	8647	None	0	Human	Functional	EC50	=	21.70	7.66	3	2	Agonist activity at human MT1 receptor expressed in CHO cells by [35S]GTPgamma binding assay	ChEMBL	513.3	12	1	5	6.19	COC(=O)C(C)c1ccc2cc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)ccc2c1	https://dx.doi.org/10.1016/j.bmc.2010.04.008
CHEMBL1095504	8667	None	0	Human	Functional	EC50	=	3.14	8.50	-	2	Agonist activity at human MT1 receptor expressed in CHO cells by [35S]GTPgamma binding assay	ChEMBL	485.2	12	2	4	5.54	CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CC(=O)O)c4c3)cc12	https://dx.doi.org/10.1016/j.bmc.2010.04.008
CHEMBL1095505	8668	None	0	Human	Functional	EC50	=	22.00	7.66	7	2	Agonist activity at human MT1 receptor expressed in CHO cells by [35S]GTPgamma binding assay	ChEMBL	499.2	12	2	4	6.10	CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cc(C(C)C(=O)O)ccc4c3)cc12	https://dx.doi.org/10.1016/j.bmc.2010.04.008

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Ligand source activities (1 row/activity)