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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

A-545	216429	None	5	Human	Binding	Ki	=	13000.00	4.89	-2344	8	[125I]-endothelin-1 saturation binding	ChEMBL	-	-	-	-	-	CCCCN(CCCC)C(=O)CN1C[C@@H](c2cc(OC)c3c(c2)OCO3)[C@H](C(=O)O)[C@H]1CC(C)(C)CCC	https://dx.doi.org/10.6019/CHEMBL4507258
A-545	216429	None	5	Human	Binding	Ki	=	13000.00	4.89	-2344	8	Affinity Biochemical interaction ([125I]-endothelin-1 saturation binding assay) EUB0000289bCl EDNRA	ChEMBL	-	-	-	-	-	CCCCN(CCCC)C(=O)CN1C[C@@H](c2cc(OC)c3c(c2)OCO3)[C@H](C(=O)O)[C@H]1CC(C)(C)CCC	https://dx.doi.org/10.6019/CHEMBL5210307
A192621	194	None	25	Human	Binding	Ki	=	5600.00	5.25	-676	2	125I-labelled ET-1 saturation binding studies with EDNRA	ChEMBL	558.3	11	2	6	5.81	CCCOc1ccc([C@H]2[C@H](C(=O)O)[C@@H](c3ccc4c(c3)OCO4)CN2CC(=O)Nc2c(CC)cccc2CC)cc1	https://dx.doi.org/10.6019/CHEMBL4507261
A192621	194	None	25	Human	Binding	IC50	=	4280.00	5.37	-676	2	Inhibition of 125I labeled ET-1 binding to EDNRA	ChEMBL	558.3	11	2	6	5.81	CCCOc1ccc([C@H]2[C@H](C(=O)O)[C@@H](c3ccc4c(c3)OCO4)CN2CC(=O)Nc2c(CC)cccc2CC)cc1	https://dx.doi.org/10.6019/CHEMBL4507261
A192621	194	None	25	Human	Binding	IC50	=	8200.00	5.09	-676	2	Binding affinity towards human Endothelin A receptor (hET -A)	ChEMBL	558.3	11	2	6	5.81	CCCOc1ccc([C@H]2[C@H](C(=O)O)[C@@H](c3ccc4c(c3)OCO4)CN2CC(=O)Nc2c(CC)cccc2CC)cc1	https://dx.doi.org/10.1021/jm990170q
A192621	194	None	25	Human	Binding	IC50	=	9900.00	5.00	-676	2	Binding affinity towards human Endothelin A receptor (hET -A)	ChEMBL	558.3	11	2	6	5.81	CCCOc1ccc([C@H]2[C@H](C(=O)O)[C@@H](c3ccc4c(c3)OCO4)CN2CC(=O)Nc2c(CC)cccc2CC)cc1	https://dx.doi.org/10.1021/jm990170q
ABT-546	9413	None	19	Human	Binding	Ki	=	0.46	9.34	21877	4	Tested for binding affinity for human Endothelin A receptor by measuring its ability to displace [125I]-ET-1 from chinese hamster ovary cells(CHO)	ChEMBL	532.4	15	1	6	5.54	CCCCN(CCCC)C(=O)CN1C[C@H](c2cc(OC)c3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1CC(C)(C)CCC	https://dx.doi.org/10.1021/jm980217s
ABT-546	9413	None	19	Human	Binding	IC50	=	0.49	9.31	21877	4	Inhibitory activity against human endothelin A receptor	ChEMBL	532.4	15	1	6	5.54	CCCCN(CCCC)C(=O)CN1C[C@H](c2cc(OC)c3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1CC(C)(C)CCC	https://dx.doi.org/10.1021/jm010237l
ABT-546	9413	None	19	Human	Binding	Ki	=	0.46	9.34	21877	4	Binding affinity against endothelin A receptor in MMQ cells in rat	ChEMBL	532.4	15	1	6	5.54	CCCCN(CCCC)C(=O)CN1C[C@H](c2cc(OC)c3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1CC(C)(C)CCC	https://dx.doi.org/10.1021/jm010237l
ABT-546	9413	None	19	Human	Binding	Ki	=	0.46	9.34	21877	4	[125I]-endothelin-1 saturation binding	ChEMBL	532.4	15	1	6	5.54	CCCCN(CCCC)C(=O)CN1C[C@H](c2cc(OC)c3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1CC(C)(C)CCC	https://dx.doi.org/10.6019/CHEMBL4507258
ABT-546	9413	None	19	Human	Binding	Ki	=	0.46	9.34	21877	4	Affinity Biochemical interaction ([125I]-endothelin-1 saturation binding assay) EUB0000348aPTSA EDNRA	ChEMBL	532.4	15	1	6	5.54	CCCCN(CCCC)C(=O)CN1C[C@H](c2cc(OC)c3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1CC(C)(C)CCC	https://dx.doi.org/10.6019/CHEMBL5210307
ABT-546	9413	None	19	Human	Binding	IC50	=	0.59	9.23	21877	4	Affinity On-target Cellular interaction (Endothelin-1-evoked phosphatidylinositol hydrolysis in MMQ cells) EUB0000348aPTSA EDNRA	ChEMBL	532.4	15	1	6	5.54	CCCCN(CCCC)C(=O)CN1C[C@H](c2cc(OC)c3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1CC(C)(C)CCC	https://dx.doi.org/10.6019/CHEMBL5210121
ABT-546	9413	None	19	Human	Binding	IC50	=	0.49	9.31	21877	4	Inhibition of [125I]-endothelin-1 binding to EDNRA	ChEMBL	532.4	15	1	6	5.54	CCCCN(CCCC)C(=O)CN1C[C@H](c2cc(OC)c3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1CC(C)(C)CCC	https://dx.doi.org/10.6019/CHEMBL4507258
ABT-546	9413	None	19	Human	Binding	IC50	=	24900.00	4.60	21877	4	Tested for binding affinity for human Endothelin A receptor by measuring its ability to displace [125I]ET1 from chinese hamster ovary cells(CHO)	ChEMBL	532.4	15	1	6	5.54	CCCCN(CCCC)C(=O)CN1C[C@H](c2cc(OC)c3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1CC(C)(C)CCC	https://dx.doi.org/10.1021/jm980217s
ABT-546	9413	None	19	Rat	Binding	IC50	=	0.56	9.25	-	4	Binding affinity for endothelin A receptor by measuring its ability to displace [125I]ET1 from prolactin secreting rat pituitary cells(MMQ)	ChEMBL	532.4	15	1	6	5.54	CCCCN(CCCC)C(=O)CN1C[C@H](c2cc(OC)c3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1CC(C)(C)CCC	https://dx.doi.org/10.1021/jm980217s
ABT-594	219818	125I-Endothelin 1	0	Human	Binding	pKi	=	1000.00	6.00	-2	37	-	PDSP KiDatabase	198.1	3	1	3	1.48	Clc1ccc(OCC2CCN2)cn1	-
ACYCLOVIR	66140	None	73	Human	Binding	AC50	=	8940.10	5.05	-	3	Binding affinity towards human EDNRA in an in vitro assay with cellular components measured by scintillation proximity assay	ChEMBL	225.1	4	3	8	-0.92	Nc1nc(O)c2ncn(COCCO)c2n1	https://dx.doi.org/10.1038/s41467-023-40064-9
ambrisentan	391	None	55	Human	Binding	pKi	=	9.65	8.02	-1	2	None	Drug Central	378.2	7	1	5	3.52	COC(c1ccccc1)(c1ccccc1)[C@H](Oc1nc(C)cc(C)n1)C(=O)O	-
ambrisentan	391	None	55	Human	Binding	IC50	=	1.00	9.00	-1	2	Displacement of [125I]-ET-1 from human ETA receptor expressed in CHO cell membranes after 2 hrs by scintillation counting	ChEMBL	378.2	7	1	5	3.52	COC(c1ccccc1)(c1ccccc1)[C@H](Oc1nc(C)cc(C)n1)C(=O)O	https://dx.doi.org/10.1016/j.bmcl.2016.06.014
amiodarone	398	None	47	Human	Binding	pKi	=	4.79	8.32	-7	40	DRUGMATRIX: Endothelin ETA radioligand binding (ligand: [125I] Endothelin-1)	Drug Central	645.0	11	0	4	6.94	CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1	-

Showing 1 to 20 of 2,811 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

A-1806262	216452	None	1	Human	Functional	IC50	=	1600.00	5.80	-1	2	Eurofins cellular functional assay - Antagonist (EDNRA)	ChEMBL	-	-	-	-	-	CCCOc1ccc([C@@H]2[C@@H](C(=O)O)[C@H](c3ccc4c(c3)OCO4)CN2CC(=O)Nc2c(CC)cccc2CC)cc1	https://dx.doi.org/10.6019/CHEMBL4507261
A-1806262	216452	None	1	Human	Functional	IC50	=	1600.00	5.80	-1	2	Eurofins cellular functional assay - Antagonist (EDNRA)	ChEMBL	-	-	-	-	-	CCCOc1ccc([C@@H]2[C@@H](C(=O)O)[C@H](c3ccc4c(c3)OCO4)CN2CC(=O)Nc2c(CC)cccc2CC)cc1	https://dx.doi.org/10.6019/CHEMBL4507261
A192621	194	None	25	Human	Functional	IC50	=	3600.00	5.44	-1479	2	Eurofins cellular functional assay - Antagonist (EDNRA)	ChEMBL	558.3	11	2	6	5.81	CCCOc1ccc([C@H]2[C@H](C(=O)O)[C@@H](c3ccc4c(c3)OCO4)CN2CC(=O)Nc2c(CC)cccc2CC)cc1	https://dx.doi.org/10.6019/CHEMBL4507261
ABT-546	9413	None	19	Human	Functional	IC50	=	0.59	9.23	-34	4	Endothelin-1-evoked phosphatidylinositol hydrolysis	ChEMBL	532.4	15	1	6	5.54	CCCCN(CCCC)C(=O)CN1C[C@H](c2cc(OC)c3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1CC(C)(C)CCC	https://dx.doi.org/10.6019/CHEMBL4507258
ambrisentan	391	None	55	Human	Functional	pIC50	=	-	7.66	47	2	Unclassified	Guide to Pharmacology	378.2	7	1	5	3.52	COC(c1ccccc1)(c1ccccc1)[C@H](Oc1nc(C)cc(C)n1)C(=O)O	https://pubmed.ncbi.nlm.nih.gov/15139756
ambrisentan	391	None	55	Human	Functional	IC50	=	21.70	7.66	47	2	Antagonist activity towards human recombinant Endothelin A receptor expressed in chinese hamster ovary (CHO) cells determined using [125I]ET1 as radioligand	ChEMBL	378.2	7	1	5	3.52	COC(c1ccccc1)(c1ccccc1)[C@H](Oc1nc(C)cc(C)n1)C(=O)O	https://dx.doi.org/10.1021/jm031115r
ambrisentan	391	None	55	Human	Functional	pA2	=	-	7.10	47	2	Unclassified	Guide to Pharmacology	378.2	7	1	5	3.52	COC(c1ccccc1)(c1ccccc1)[C@H](Oc1nc(C)cc(C)n1)C(=O)O	https://pubmed.ncbi.nlm.nih.gov/15139756
aprocitentan	449	None	43	Human	Functional	pIC50	=	-	8.47	109	2	Unclassified	Guide to Pharmacology	543.9	8	2	8	2.53	NS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1	https://pubmed.ncbi.nlm.nih.gov/18780830
aprocitentan	449	None	43	Human	Functional	pA2	=	-	6.70	109	2	Unclassified	Guide to Pharmacology	543.9	8	2	8	2.53	NS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1	https://pubmed.ncbi.nlm.nih.gov/18780830
atrasentan	522	None	36	Human	Functional	pA2	=	-	9.20	2	4	Unclassified	Guide to Pharmacology	510.3	12	1	6	4.69	CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1c1ccc(OC)cc1	https://pubmed.ncbi.nlm.nih.gov/8632312
avosentan	531	None	42	Human	Functional	pIC50	=	-	7.30	141	2	Unclassified	Guide to Pharmacology	479.1	8	1	9	3.85	COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(-c2ccncc2)nc1OC	-
BMS-182874	97150	None	32	Human	Functional	IC50	=	570.00	6.24	-4	4	Antagonism of ET-1 induced increase in intracellular Ca+2 in vsm-A10 cells	ChEMBL	345.1	4	1	5	3.31	Cc1noc(NS(=O)(=O)c2cccc3c(N(C)C)cccc23)c1C	https://dx.doi.org/10.1021/jm00029a001
bosentan	706	None	60	Human	Functional	IC50	=	8.90	8.05	-3	5	Antagonist activity at human endothelin receptor subtype A expressed in CHO-K1 cells	ChEMBL	551.2	10	2	10	4.20	COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCCO	https://dx.doi.org/10.1016/j.bmc.2012.06.011
bosentan	706	None	60	Rat	Functional	pA2	=	-	7.20	1	5	Unclassified	Guide to Pharmacology	551.2	10	2	10	4.20	COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCCO	https://pubmed.ncbi.nlm.nih.gov/8035319
bosentan	706	None	60	Rat	Functional	Kd	=	50.12	7.30	1	5	Compound was evaluated for in vitro functional inhibitory potency for prevention of ET-1 induced constriction of rat aortic rings (ETA receptors)	ChEMBL	551.2	10	2	10	4.20	COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCCO	https://dx.doi.org/10.1016/S0960-894X(97)00400-9
bosentan	706	None	60	Rat	Functional	Kd	=	72.44	7.14	1	5	Potency on ETA receptor assessed by inhibition of the contraction induced by ET-1 in rat aortic rings	ChEMBL	551.2	10	2	10	4.20	COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCCO	https://dx.doi.org/10.1016/s0960-894x(02)01084-3
BQ123	711	None	39	Human	Functional	pA2	=	-	7.15	1	5	Unclassified	Guide to Pharmacology	-	-	-	-	-	-	https://pubmed.ncbi.nlm.nih.gov/7647976
BQ123	711	None	39	Human	Functional	IC50	=	0.62	9.21	1	5	Antagonist activity at ETA receptor in human SKNMC cells assessed as inhibition of endothelin-1-mediated Ca2+ mobilization by fura-2/AM dye-based spectrofluorimetric method	ChEMBL	-	-	-	-	-	-	https://dx.doi.org/10.1016/j.ejmech.2016.06.006
CHEMBL100120	4182	None	0	Human	Functional	IC50	=	77000.00	4.11	-	1	Compound was tested for its ability to inhibit Endothelin A receptor induced arachidonic acid release(AARA) in rabbit renal artery vascular smooth muscles.	ChEMBL	356.1	3	1	4	3.73	NC(=O)C(c1ccc2c(c1)OCO2)c1c2ccccc2nc2ccccc12	https://dx.doi.org/10.1016/S0960-894X(96)00551-3
CHEMBL100120	4182	None	0	Human	Functional	IC50	=	8500.00	5.07	-	1	Antagonistic activity against endothelin A receptor in rabbit renal artery vascular smooth muscle cells.	ChEMBL	356.1	3	1	4	3.73	NC(=O)C(c1ccc2c(c1)OCO2)c1c2ccccc2nc2ccccc12	https://dx.doi.org/10.1016/S0960-894X(96)00551-3

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Ligand source activities (1 row/activity)