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

(E)-ISBOGREL	97228	None	27	Human	Binding	Kd	=	8200.00	5.09	-1	2	In vitro thromboxane receptor antagonism was determined using a human platelet binding assay	ChEMBL	281.1	7	1	2	4.16	O=C(O)CCCC/C=C(\c1ccccc1)c1cccnc1	https://dx.doi.org/10.1016/s0960-894x(98)00353-9
10,10-difluoro TXA₂	1	None	0	Human	Binding	pKd	=	-	7.00	-8	8	Unclassified	Guide to Pharmacology	386.2	12	2	3	4.72	CCCCC[C@H](O)/C=C/[C@H]1C[C@@H]2O[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2(F)F	https://pubmed.ncbi.nlm.nih.gov/2748606
15-methyl PGF2alpha	218924	3H-15(S)9,11-epoxymethano PGH2	0	Mouse	Binding	pKi	=	10000.00	5.00	-	1	-	PDSP KiDatabase	368.3	12	4	4	3.43	CCCCCC(C)(O)C=CC1C(O)CC(O)C1CC=CCCCC(=O)O	-
16,16-dimethyl PGF2alpha	218923	3H-15(S)9,11-epoxymethano PGH2	0	Mouse	Binding	pKi	=	770.00	6.11	-	1	-	PDSP KiDatabase	382.3	12	4	4	3.68	CCCCC(C)(C)C(O)C=CC1C(O)CC(O)C1CC=CCCCC(=O)O	-
9,11-azo PGH2	218921	3H-15(S)9,11-epoxymethano PGH2	0	Mouse	Binding	pKi	=	1100.00	5.96	-	1	-	PDSP KiDatabase	348.2	12	2	4	4.52	CCCCCC(O)C=CC1C2CC(N=N2)C1CC=CCCCC(=O)O	-
9,11-epoxymethano PGH2	218920	3H-15(S)9,11-epoxymethano PGH2	0	Mouse	Binding	pKi	=	200.00	6.70	-	1	-	PDSP KiDatabase	352.2	12	2	4	4.02	CCCCCC(O)C=CC1C2CC(OO2)C1CC=CCCCC(=O)O	-
9,11-epoxymethano PGH2	218920	3H-15(S)9,11-epoxymethano PGH2	0	Mouse	Binding	pKi	=	1600.00	5.80	-	1	-	PDSP KiDatabase	352.2	12	2	4	4.02	CCCCCC(O)C=CC1C2CC(OO2)C1CC=CCCCC(=O)O	-
ACECLOFENAC	209812	None	67	Human	Binding	AC50	=	2540.00	5.59	-	1	Binding affinity towards human TBXA2R in an in vitro assay with cellular components measured by scintillation proximity assay	ChEMBL	353.0	6	2	4	3.91	O=C(O)COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl	https://dx.doi.org/10.1038/s41467-023-40064-9
AH23848	318	None	0	Human	Binding	pKi	None	-	6.20	12	3	Unclassified	Guide to Pharmacology	477.3	11	1	5	4.73	O=C(O)CC/C=C\CC[C@H]1[C@@H](OCc2ccc(-c3ccccc3)cc2)CC(=O)[C@@H]1N1CCOCC1	https://pubmed.ncbi.nlm.nih.gov/10634944
AMBROXOL	46238	None	57	Human	Binding	AC50	=	32090.00	4.49	-	4	Binding affinity towards human TBXA2R in an in vitro assay with cellular components measured by scintillation proximity assay	ChEMBL	376.0	3	3	3	3.19	Nc1c(Br)cc(Br)cc1CN[C@H]1CC[C@H](O)CC1	https://dx.doi.org/10.1038/s41467-023-40064-9
AMSACRINE	167616	None	49	Human	Binding	AC50	=	12000.00	4.92	-	15	Binding affinity towards human TBXA2R in an in vitro assay with cellular components measured by scintillation proximity assay	ChEMBL	393.1	5	2	5	4.51	COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12	https://dx.doi.org/10.1038/s41467-023-40064-9
ANETHOLTRITHION	63103	None	64	Human	Binding	AC50	=	16000.00	4.80	-	10	Binding affinity towards human TBXA2R in an in vitro assay with cellular components measured by scintillation proximity assay	ChEMBL	240.0	2	0	4	4.21	COc1ccc(-c2cc(=S)ss2)cc1	https://dx.doi.org/10.1038/s41467-023-40064-9
Arachidonic acid	218926	3H-15(S)9,11-epoxymethano PGH2	0	Mouse	Binding	pKi	=	10000.00	5.00	-	1	-	PDSP KiDatabase	304.2	14	1	1	6.22	CCCCCC=CCC=CCC=CCC=CCCCC(=O)O	-
ASENAPINE	107587	3H-SQ 29548	16	Human	Binding	pKi	=	1000.00	6.00	-5888	54	-	PDSP KiDatabase	285.1	0	0	2	4.26	CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1	-
AXITINIB	19218	None	60	Human	Binding	AC50	=	8660.00	5.06	-	3	Binding affinity towards human TBXA2R in an in vitro assay with cellular components measured by scintillation proximity assay	ChEMBL	386.1	5	2	4	4.64	CNC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1	https://dx.doi.org/10.1038/s41467-023-40064-9
BAY-6672	586	None	11	Human	Binding	IC50	=	2210.00	5.66	-	4	Eurofins-Panlabs cell assay (ID:338490)	ChEMBL	543.1	8	2	4	5.94	Cc1c(N2CCCC2)nc2ccc(Br)cc2c1C(=O)NC[C@H](CCC(=O)O)c1ccccc1Cl	https://dx.doi.org/10.6019/CHEMBL4630901
BAY-6672	586	None	11	Human	Binding	IC50	=	2200.00	5.66	-	4	Antagonist activity at recombinant full-length human TP receptor expressed in HEK293 cells assessed as inhibition of U-44069-induced response measured after 30 mins by TR-FRET assay	ChEMBL	543.1	8	2	4	5.94	Cc1c(N2CCCC2)nc2ccc(Br)cc2c1C(=O)NC[C@H](CCC(=O)O)c1ccccc1Cl	https://dx.doi.org/10.1021/acs.jmedchem.0c00834
BCTC	218979	3H-SQ 29548	0	Rat	Binding	pKi	=	10000.00	5.00	-10471285	17	-	PDSP KiDatabase	372.2	2	1	3	4.39	CC(C)(C)c1ccc(NC(=O)N2CCN(c3ncccc3Cl)CC2)cc1	-
BENZBROMARONE	142422	None	66	Human	Binding	AC50	=	29040.20	4.54	-	14	Binding affinity towards human TBXA2R in an in vitro assay with cellular components measured by scintillation proximity assay	ChEMBL	421.9	3	1	3	5.46	CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1	https://dx.doi.org/10.1038/s41467-023-40064-9
BI-671800	197807	None	33	Human	Binding	IC50	=	62600.00	4.20	-	3	Displacement of [3H]SQ-29548 from thromboxane receptor in human platelet membrane	ChEMBL	501.2	8	2	6	4.10	CN(C)c1nc(Cc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)nc(N(C)C)c1CC(=O)O	https://dx.doi.org/10.1016/j.bmcl.2009.06.085

Showing 1 to 20 of 851 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

(E)-ISBOGREL	97228	None	27	Human	Functional	Kd	=	15848.93	4.80	-	2	In vitro thromboxane A2 receptor antagonism through inhibition of U-46619-induced platelet aggregation in human whole blood.	ChEMBL	281.1	7	1	2	4.16	O=C(O)CCCC/C=C(\c1ccccc1)c1cccnc1	https://dx.doi.org/10.1016/S0960-894X(01)81050-7
(E)-ISBOGREL	97228	None	27	Human	Functional	Kd	=	8200.00	5.09	-	2	In vitro for antagonistic activity against thromboxane synthase receptor	ChEMBL	281.1	7	1	2	4.16	O=C(O)CCCC/C=C(\c1ccccc1)c1cccnc1	https://dx.doi.org/10.1021/jm980173n
(E)-ISBOGREL	97228	None	27	Human	Functional	Kd	=	15848.93	4.80	-	2	In vitro thromboxane A2 receptor antagonism through inhibition of U-46619 induced platelet aggregation in human whole blood	ChEMBL	281.1	7	1	2	4.16	O=C(O)CCCC/C=C(\c1ccccc1)c1cccnc1	https://dx.doi.org/10.1016/S0960-894X(01)81051-9
(E)-ISBOGREL	97228	None	27	Rat	Functional	Kd	=	6309.57	5.20	-	2	In vitro thromboxane A2 receptor antagonism through inhibition of U-46619-induced contraction of rat isolated thoracic aortic strip	ChEMBL	281.1	7	1	2	4.16	O=C(O)CCCC/C=C(\c1ccccc1)c1cccnc1	https://dx.doi.org/10.1016/S0960-894X(01)81050-7
(E)-ISBOGREL	97228	None	27	Rat	Functional	Kd	=	6309.57	5.20	-	2	In vitro thromboxane A2 receptor antagonism through inhibition of U-46619 induced contraction of rat isolated thoracic aortic strip	ChEMBL	281.1	7	1	2	4.16	O=C(O)CCCC/C=C(\c1ccccc1)c1cccnc1	https://dx.doi.org/10.1016/S0960-894X(01)81051-9
13,14-dihydro-16-m-chlorophenoxy-w-tetranor-PGF_1α	16	None	0	Human	Functional	EC50	=	8000.00	5.10	-3235	5	Functional activity in RAT-1cells, transiently-transfected with human TP-receptor (% of control ligand, [3H]-U-46,619=90%)	ChEMBL	428.2	13	4	5	3.64	O=C(O)CCCCCC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)COc1cccc(Cl)c1	https://dx.doi.org/10.1016/s0960-894x(00)00273-0
ACEPROMAZINE	150786	None	16	Human	Functional	AC50	=	13678.90	4.86	-4570	11	Antagonist activity at human TBXA2R in an in vitro cell-based assay measured by fluorescence spectroscopy	ChEMBL	326.1	5	0	4	4.44	CC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2	https://dx.doi.org/10.1038/s41467-023-40064-9
acetylcholine	255	None	24	Human	Functional	AC50	=	340.00	6.47	-7	12	Agonist activity at human TBXA2R in an in vitro cell-based assay (CRO assay) measured by fluorescence spectroscopy	ChEMBL	146.1	3	0	2	0.26	CC(=O)OCC[N+](C)(C)C	https://dx.doi.org/10.1038/s41467-023-40064-9
AGN 191976	311	None	0	Human	Functional	pEC50	=	-	7.80	-	1	Unclassified	Guide to Pharmacology	382.2	13	2	5	4.45	CCCCC[C@H](O)CC[C@H]1[C@H]2C[C@H](OC(=O)O2)[C@@H]1C/C=C\CCCC(=O)O	https://pubmed.ncbi.nlm.nih.gov/8882612
AGN192093	312	None	0	Rat	Functional	pEC50	=	-	8.90	-	1	Unclassified	Guide to Pharmacology	366.2	12	2	5	4.13	CCCCC[C@H](O)/C=C/[C@H]1[C@@H]2C[C@H](OC(=O)O2)[C@@H]1C/C=C\CCCCO	https://pubmed.ncbi.nlm.nih.gov/8882612
alimemazine	344	None	32	Human	Functional	AC50	=	14967.90	4.83	-512	12	Antagonist activity at human TBXA2R in an in vitro cell-based assay measured by fluorescence spectroscopy	ChEMBL	298.1	4	0	3	4.49	CC(CN(C)C)CN1c2ccccc2Sc2ccccc21	https://dx.doi.org/10.1038/s41467-023-40064-9
amitriptyline	401	None	38	Human	Functional	AC50	=	26338.40	4.58	-56234	51	Antagonist activity at human TBXA2R in an in vitro cell-based assay measured by fluorescence spectroscopy	ChEMBL	277.2	3	0	1	4.17	CN(C)CCC=C1c2ccccc2CCc2ccccc21	https://dx.doi.org/10.1038/s41467-023-40064-9
AMLODIPINE	41527	None	58	Human	Functional	AC50	=	5696.80	5.24	-5	24	Agonist activity at human TBXA2R in an in vitro cell-based assay (CRO assay) measured by fluorescence spectroscopy	ChEMBL	408.1	8	2	7	2.27	CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl	https://dx.doi.org/10.1038/s41467-023-40064-9
AMRUBICIN	12598	None	44	Human	Functional	AC50	=	11836.70	4.93	1	3	Agonist activity at human TBXA2R in an in vitro cell-based assay (CRO assay) measured by fluorescence spectroscopy	ChEMBL	483.2	3	5	10	0.63	CC(=O)[C@]1(N)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](O)[C@H](O)CO2)C1)C(=O)c1ccccc1C3=O	https://dx.doi.org/10.1038/s41467-023-40064-9
aripiprazole	470	None	70	Human	Functional	AC50	=	1900.00	5.72	-758	60	Antagonist activity at human TBXA2R in an in vitro cell-based assay measured by fluorescence spectroscopy	ChEMBL	447.1	7	1	4	4.86	O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1	https://dx.doi.org/10.1038/s41467-023-40064-9
aripiprazole	470	None	70	Human	Functional	AC50	=	3375.60	5.47	-758	60	Antagonist activity at human TBXA2R in an in vitro cell-based assay measured by fluorescence spectroscopy	ChEMBL	447.1	7	1	4	4.86	O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1	https://dx.doi.org/10.1038/s41467-023-40064-9
astemizole	505	None	55	Human	Functional	AC50	=	10867.80	4.96	-812	48	Agonist activity at human TBXA2R in an in vitro cell-based assay (CRO assay) measured by fluorescence spectroscopy	ChEMBL	458.2	8	1	5	5.35	COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1	https://dx.doi.org/10.1038/s41467-023-40064-9
BARNIDIPINE	78170	None	28	Human	Functional	AC50	=	4467.90	5.35	-3	10	Antagonist activity at human TBXA2R in an in vitro cell-based assay measured by fluorescence spectroscopy	ChEMBL	491.2	7	1	8	3.82	COC(=O)C1=C(C)NC(C)=C(C(=O)O[C@H]2CCN(Cc3ccccc3)C2)[C@H]1c1cccc([N+](=O)[O-])c1	https://dx.doi.org/10.1038/s41467-023-40064-9
beclometasone dipropionate	593	None	36	Human	Functional	AC50	=	24871.40	4.60	-4897	5	Antagonist activity at human TBXA2R in an in vitro cell-based assay measured by fluorescence spectroscopy	ChEMBL	520.2	6	1	7	4.09	CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@@]21C	https://dx.doi.org/10.1038/s41467-023-40064-9
BENZIODARONE	86838	None	41	Human	Functional	AC50	=	28990.10	4.54	-3	8	Agonist activity at human TBXA2R in an in vitro cell-based assay (CRO assay) measured by fluorescence spectroscopy	ChEMBL	517.9	3	1	3	5.14	CCc1oc2ccccc2c1C(=O)c1cc(I)c(O)c(I)c1	https://dx.doi.org/10.1038/s41467-023-40064-9

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Ligand source activities (1 row/activity)