Compile Data Set for Download or QSAR

Found 243 hits with Last Name = 'porter' and Initial = 'b'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50051895 (2-(2,4-Dioxa-spiro[5.5]undec-3-yl)-4,5-diphenyl-1H...) Show SMILES C1CCC2(CC1)COC(OC2)c1nc(c([nH]1)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C24H26N2O2/c1-4-10-18(11-5-1)20-21(19-12-6-2-7-13-19)26-22(25-20)23-27-16-24(17-28-23)14-8-3-9-15-24/h1-2,4-7,10-13,23H,3,8-9,14-17H2,(H,25,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase 1 from rat liver.				J Med Chem 39: 1423-32 (1996) Article DOI: 10.1021/jm9505876 BindingDB Entry DOI: 10.7270/Q2TB160C
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50085853 (CHEMBL173251 | Sodium; [2-cyano-5-(pyridin-4-ylmet...) Show SMILES Cc1ccccc1C(Oc1cc(OCc2ccncc2)ccc1C#N)C([O-])=O Show InChI InChI=1S/C22H18N2O4/c1-15-4-2-3-5-19(15)21(22(25)26)28-20-12-18(7-6-17(20)13-23)27-14-16-8-10-24-11-9-16/h2-12,21H,14H2,1H3,(H,25,26)/p-1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro ability to antagonise the binding of [125I]-ET-1 to the rat aortic A10 cell membrane endothelin A receptor.				J Med Chem 43: 900-10 (2000) BindingDB Entry DOI: 10.7270/Q2154G73
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50065516 ((R)-4-[2-Cyano-5-(pyridin-3-ylmethoxy)-phenoxy]-4-...) Show SMILES Cc1ccccc1[C@@H](CCC(O)=O)Oc1cc(OCc2cccnc2)ccc1C#N Show InChI InChI=1S/C24H22N2O4/c1-17-5-2-3-7-21(17)22(10-11-24(27)28)30-23-13-20(9-8-19(23)14-25)29-16-18-6-4-12-26-15-18/h2-9,12-13,15,22H,10-11,16H2,1H3,(H,27,28)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro inhibition of [125I]ET1 binding to rat A10 cell Endothelin A receptor.				J Med Chem 41: 2732-44 (1998) Article DOI: 10.1021/jm9707131 BindingDB Entry DOI: 10.7270/Q2HM594W
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50065508 ((R)-4-[2-Cyano-5-(thiophen-3-ylmethoxy)-phenoxy]-4...) Show SMILES Cc1ccccc1[C@@H](CCC(O)=O)Oc1cc(OCc2ccsc2)ccc1C#N Show InChI InChI=1S/C23H21NO4S/c1-16-4-2-3-5-20(16)21(8-9-23(25)26)28-22-12-19(7-6-18(22)13-24)27-14-17-10-11-29-15-17/h2-7,10-12,15,21H,8-9,14H2,1H3,(H,25,26)/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro inhibition of [125I]ET1 binding to rat A10 cell Endothelin A receptor.				J Med Chem 41: 2732-44 (1998) Article DOI: 10.1021/jm9707131 BindingDB Entry DOI: 10.7270/Q2HM594W
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50085845 (CHEMBL174235 | [5-(Benzooxazol-6-ylmethoxy)-2-cyan...) Show SMILES Cc1ccccc1C(Oc1cc(OCc2ccc3ncoc3c2)ccc1C#N)C(O)=O Show InChI InChI=1S/C24H18N2O5/c1-15-4-2-3-5-19(15)23(24(27)28)31-21-11-18(8-7-17(21)12-25)29-13-16-6-9-20-22(10-16)30-14-26-20/h2-11,14,23H,13H2,1H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro ability to antagonise the binding of [125I]-ET-1 to the rat aortic A10 cell membrane endothelin A receptor.				J Med Chem 43: 900-10 (2000) BindingDB Entry DOI: 10.7270/Q2154G73
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50085859 ((2-Chloro-phenyl)-[2-cyano-5-(pyridin-4-ylmethoxy)...) Show SMILES OC(=O)C(Oc1cc(OCc2ccncc2)ccc1C#N)c1ccccc1Cl Show InChI InChI=1S/C21H15ClN2O4/c22-18-4-2-1-3-17(18)20(21(25)26)28-19-11-16(6-5-15(19)12-23)27-13-14-7-9-24-10-8-14/h1-11,20H,13H2,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro ability to antagonise the binding of [125I]-ET-1 to the rat aortic A10 cell membrane endothelin A receptor.				J Med Chem 43: 900-10 (2000) BindingDB Entry DOI: 10.7270/Q2154G73
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50065518 (4-[2-Cyano-5-(thiophen-3-ylmethoxy)-phenoxy]-4-o-t...) Show SMILES Cc1ccccc1C(CCC(O)=O)Oc1cc(OCc2ccsc2)ccc1C#N Show InChI InChI=1S/C23H21NO4S/c1-16-4-2-3-5-20(16)21(8-9-23(25)26)28-22-12-19(7-6-18(22)13-24)27-14-17-10-11-29-15-17/h2-7,10-12,15,21H,8-9,14H2,1H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro inhibition of [125I]ET1 binding to rat A10 cell Endothelin A receptor.				J Med Chem 41: 2732-44 (1998) Article DOI: 10.1021/jm9707131 BindingDB Entry DOI: 10.7270/Q2HM594W
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50065523 ((R)-4-[2-Cyano-5-(isothiazol-4-ylmethoxy)-phenoxy]...) Show SMILES Cc1ccccc1[C@@H](CCC(O)=O)Oc1cc(OCc2cnsc2)ccc1C#N Show InChI InChI=1S/C22H20N2O4S/c1-15-4-2-3-5-19(15)20(8-9-22(25)26)28-21-10-18(7-6-17(21)11-23)27-13-16-12-24-29-14-16/h2-7,10,12,14,20H,8-9,13H2,1H3,(H,25,26)/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro inhibition of [125I]ET1 binding to rat A10 cell Endothelin A receptor.				J Med Chem 41: 2732-44 (1998) Article DOI: 10.1021/jm9707131 BindingDB Entry DOI: 10.7270/Q2HM594W
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50065524 (5-[2-(3-Carboxy-1-o-tolyl-propoxy)-4-(thiophen-3-y...) Show SMILES Cc1ccccc1C(CCC(O)=O)Oc1cc(OCc2ccsc2)ccc1-c1cc([nH]n1)C(O)=O Show InChI InChI=1S/C26H24N2O6S/c1-16-4-2-3-5-19(16)23(8-9-25(29)30)34-24-12-18(33-14-17-10-11-35-15-17)6-7-20(24)21-13-22(26(31)32)28-27-21/h2-7,10-13,15,23H,8-9,14H2,1H3,(H,27,28)(H,29,30)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro inhibition of [125I]ET1 binding to rat A10 cell Endothelin A receptor.				J Med Chem 41: 2732-44 (1998) Article DOI: 10.1021/jm9707131 BindingDB Entry DOI: 10.7270/Q2HM594W
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50085833 (CHEMBL172144 | Sodium; [5-(benzo[1,3]dioxol-5-ylme...) Show SMILES Cc1ccccc1C(Oc1cc(OCc2ccc3OCOc3c2)ccc1C#N)C([O-])=O Show InChI InChI=1S/C24H19NO6/c1-15-4-2-3-5-19(15)23(24(26)27)31-21-11-18(8-7-17(21)12-25)28-13-16-6-9-20-22(10-16)30-14-29-20/h2-11,23H,13-14H2,1H3,(H,26,27)/p-1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro ability to antagonise the binding of [125I]-ET-1 to the rat aortic A10 cell membrane endothelin A receptor.				J Med Chem 43: 900-10 (2000) BindingDB Entry DOI: 10.7270/Q2154G73
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50065518 (4-[2-Cyano-5-(thiophen-3-ylmethoxy)-phenoxy]-4-o-t...) Show SMILES Cc1ccccc1C(CCC(O)=O)Oc1cc(OCc2ccsc2)ccc1C#N Show InChI InChI=1S/C23H21NO4S/c1-16-4-2-3-5-20(16)21(8-9-23(25)26)28-22-12-19(7-6-18(22)13-24)27-14-17-10-11-29-15-17/h2-7,10-12,15,21H,8-9,14H2,1H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Concentration required to inhibit 50% Et-1 binding to endothelin A receptor in rat A-10 cells.				J Med Chem 41: 2745-53 (1998) Article DOI: 10.1021/jm970847e BindingDB Entry DOI: 10.7270/Q2PN94SR
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50085861 (CHEMBL170681 | [5-(Benzooxazol-6-ylmethoxy)-2-cyan...) Show SMILES OC(=O)C(Oc1cc(OCc2ccc3ncoc3c2)ccc1C#N)c1ccccc1Cl Show InChI InChI=1S/C23H15ClN2O5/c24-18-4-2-1-3-17(18)22(23(27)28)31-20-10-16(7-6-15(20)11-25)29-12-14-5-8-19-21(9-14)30-13-26-19/h1-10,13,22H,12H2,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro ability to antagonise the binding of [125I]-ET-1 to the rat aortic A10 cell membrane endothelin A receptor.				J Med Chem 43: 900-10 (2000) BindingDB Entry DOI: 10.7270/Q2154G73
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50085831 (CHEMBL174092 | [2-Cyano-5-(pyridin-4-ylmethoxy)-ph...) Show SMILES Cc1ccccc1C(Oc1cc(OCc2ccncc2)ccc1C#N)C(O)=O Show InChI InChI=1S/C22H18N2O4/c1-15-4-2-3-5-19(15)21(22(25)26)28-20-12-18(7-6-17(20)13-23)27-14-16-8-10-24-11-9-16/h2-12,21H,14H2,1H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro ability to antagonise the binding of [125I]-ET-1 to the rat aortic A10 cell membrane endothelin A receptor.				J Med Chem 43: 900-10 (2000) BindingDB Entry DOI: 10.7270/Q2154G73
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50051894 (1-{4-[2-(4,5-Diphenyl-1H-imidazol-2-yl)-5-methyl-[...) Show SMILES COc1ccc(cc1)N1CCN(CCCCC2(C)COC(OC2)c2nc(c([nH]2)-c2ccccc2)-c2ccccc2)CC1 |(14.57,1.37,;13.09,.98,;12.67,-.5,;11.19,-.89,;10.78,-2.39,;11.87,-3.46,;13.36,-3.08,;13.76,-1.59,;11.47,-4.95,;9.98,-5.35,;9.57,-6.84,;10.66,-7.94,;10.27,-9.43,;11.05,-10.76,;10.29,-12.1,;11,-13.36,;9.87,-14.42,;10.97,-15.5,;9.12,-15.76,;7.4,-15.14,;6.21,-15.56,;6.98,-14.21,;8.61,-14.84,;4.88,-14.79,;4.48,-13.3,;2.94,-13.23,;2.39,-14.67,;3.59,-15.63,;.89,-15.07,;-.19,-13.97,;-1.67,-14.39,;-2.07,-15.88,;-.97,-16.96,;.51,-16.55,;2.08,-11.94,;2.78,-10.56,;1.94,-9.28,;.4,-9.36,;-.28,-10.73,;.56,-12.01,;12.15,-7.53,;12.55,-6.05,)| Show InChI InChI=1S/C35H42N4O3/c1-35(19-9-10-20-38-21-23-39(24-22-38)29-15-17-30(40-2)18-16-29)25-41-34(42-26-35)33-36-31(27-11-5-3-6-12-27)32(37-33)28-13-7-4-8-14-28/h3-8,11-18,34H,9-10,19-26H2,1-2H3,(H,36,37)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibitory concentration of the compound was evaluated as concentration required to inhibit 50% of the Acyl coenzyme A:cholesterol acyltransferase 1 ...				J Med Chem 39: 1423-32 (1996) Article DOI: 10.1021/jm9505876 BindingDB Entry DOI: 10.7270/Q2TB160C
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50085830 (CHEMBL173792 | [5-(Benzo[1,3]dioxol-5-ylmethoxy)-2...) Show SMILES Cc1ccccc1C(Oc1cc(OCc2ccc3OCOc3c2)ccc1C#N)C(O)=O Show InChI InChI=1S/C24H19NO6/c1-15-4-2-3-5-19(15)23(24(26)27)31-21-11-18(8-7-17(21)12-25)28-13-16-6-9-20-22(10-16)30-14-29-20/h2-11,23H,13-14H2,1H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro ability to antagonise the binding of [125I]-ET-1 to the rat aortic A10 cell membrane endothelin A receptor.				J Med Chem 43: 900-10 (2000) BindingDB Entry DOI: 10.7270/Q2154G73
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50085838 (CHEMBL352536 | [5-(Benzo[1,3]dioxol-5-ylmethoxy)-2...) Show SMILES OC(=O)C(Oc1cc(OCc2ccc3OCOc3c2)ccc1C#N)c1ccccc1Cl Show InChI InChI=1S/C23H16ClNO6/c24-18-4-2-1-3-17(18)22(23(26)27)31-20-10-16(7-6-15(20)11-25)28-12-14-5-8-19-21(9-14)30-13-29-19/h1-10,22H,12-13H2,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro ability to antagonise the binding of [125I]-ET-1 to the rat aortic A10 cell membrane endothelin A receptor.				J Med Chem 43: 900-10 (2000) BindingDB Entry DOI: 10.7270/Q2154G73
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50329850 ((R)-3-Amino-4-[(S)-2-((R)-1-{(S)-1-[(R)-1-(1H-indo...) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C |r| Show InChI InChI=1S/C31H42N6O7/c1-16(2)12-21-27(40)33-22(13-18-15-32-20-9-6-5-8-19(18)20)28(41)35-23(14-25(38)39)31(44)37-11-7-10-24(37)29(42)36-26(17(3)4)30(43)34-21/h5-6,8-9,15-17,21-24,26,32H,7,10-14H2,1-4H3,(H,33,40)(H,34,43)(H,35,41)(H,36,42)(H,38,39)/t21-,22+,23-,24-,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro inhibition of [125I]ET1 binding to rat A10 cell Endothelin A receptor.				J Med Chem 41: 2732-44 (1998) Article DOI: 10.1021/jm9707131 BindingDB Entry DOI: 10.7270/Q2HM594W
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50051897 (2-(5,5-Diethyl-[1,3]dioxan-2-yl)-4,5-diphenyl-1H-i...) Show SMILES CCC1(CC)COC(OC1)c1nc(c([nH]1)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C23H26N2O2/c1-3-23(4-2)15-26-22(27-16-23)21-24-19(17-11-7-5-8-12-17)20(25-21)18-13-9-6-10-14-18/h5-14,22H,3-4,15-16H2,1-2H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase 1 from rat liver.				J Med Chem 39: 1423-32 (1996) Article DOI: 10.1021/jm9505876 BindingDB Entry DOI: 10.7270/Q2TB160C
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50085855 (CHEMBL170202 | [5-(Benzo[1,3]dioxol-5-ylmethoxy)-2...) Show SMILES OC(=O)C(Oc1cc(OCc2ccc3OCOc3c2)ccc1C#N)c1ccccc1C(F)(F)F Show InChI InChI=1S/C24H16F3NO6/c25-24(26,27)18-4-2-1-3-17(18)22(23(29)30)34-20-10-16(7-6-15(20)11-28)31-12-14-5-8-19-21(9-14)33-13-32-19/h1-10,22H,12-13H2,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro ability to antagonise the binding of [125I]-ET-1 to the rat aortic A10 cell membrane endothelin A receptor.				J Med Chem 43: 900-10 (2000) BindingDB Entry DOI: 10.7270/Q2154G73
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50085840 ((2-Chloro-phenyl)-[2-cyano-5-(thiophen-3-ylmethoxy...) Show SMILES OC(=O)C(Oc1cc(OCc2ccsc2)ccc1C#N)c1ccccc1Cl Show InChI InChI=1S/C20H14ClNO4S/c21-17-4-2-1-3-16(17)19(20(23)24)26-18-9-15(6-5-14(18)10-22)25-11-13-7-8-27-12-13/h1-9,12,19H,11H2,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro ability to antagonise the binding of [125I]-ET-1 to the rat aortic A10 cell membrane endothelin A receptor.				J Med Chem 43: 900-10 (2000) BindingDB Entry DOI: 10.7270/Q2154G73
					More data for this Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50051881 (1-{4-[2-(4,5-Diphenyl-1H-imidazol-2-yl)-5-methyl-[...) Show SMILES Cc1cc(C)n(CCCCC2(C)COC(OC2)c2nc(c([nH]2)-c2ccccc2)-c2ccccc2)n1 |(17.48,-4.71,;16.19,-5.55,;14.76,-4.99,;13.79,-6.2,;12.25,-6.13,;14.64,-7.49,;14.24,-8.98,;12.75,-9.39,;12.35,-10.86,;10.86,-11.26,;10.45,-12.74,;11.77,-13.51,;9.19,-13.16,;7.56,-12.54,;6.79,-13.89,;7.98,-13.47,;9.69,-14.08,;5.45,-13.12,;5.04,-11.63,;3.5,-11.56,;2.96,-12.98,;4.15,-13.96,;1.48,-13.4,;.38,-12.31,;-1.09,-12.7,;-1.49,-14.2,;-.39,-15.28,;1.08,-14.87,;2.66,-10.26,;3.36,-8.88,;2.52,-7.6,;.99,-7.69,;.29,-9.07,;1.13,-10.35,;16.12,-7.08,)| Show InChI InChI=1S/C29H34N4O2/c1-21-18-22(2)33(32-21)17-11-10-16-29(3)19-34-28(35-20-29)27-30-25(23-12-6-4-7-13-23)26(31-27)24-14-8-5-9-15-24/h4-9,12-15,18,28H,10-11,16-17,19-20H2,1-3H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibitory concentration of the compound was evaluated as concentration required to inhibit 50% activity of the rabbit liver Acyl coenzyme A:choleste...				J Med Chem 39: 1423-32 (1996) Article DOI: 10.1021/jm9505876 BindingDB Entry DOI: 10.7270/Q2TB160C
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50065525 (4-[2-(1H-Pyrazol-3-yl)-5-(thiophen-3-ylmethoxy)-ph...) Show SMILES Cc1ccccc1C(CCC(O)=O)Oc1cc(OCc2ccsc2)ccc1-c1cc[nH]n1 Show InChI InChI=1S/C25H24N2O4S/c1-17-4-2-3-5-20(17)23(8-9-25(28)29)31-24-14-19(30-15-18-11-13-32-16-18)6-7-21(24)22-10-12-26-27-22/h2-7,10-14,16,23H,8-9,15H2,1H3,(H,26,27)(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro inhibition of [125I]ET1 binding to rat A10 cell Endothelin A receptor.				J Med Chem 41: 2732-44 (1998) Article DOI: 10.1021/jm9707131 BindingDB Entry DOI: 10.7270/Q2HM594W
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50085835 (CHEMBL427294 | [2-Cyano-5-(thiophen-3-ylmethoxy)-p...) Show SMILES Cc1ccccc1C(Oc1cc(OCc2ccsc2)ccc1C#N)C(O)=O Show InChI InChI=1S/C21H17NO4S/c1-14-4-2-3-5-18(14)20(21(23)24)26-19-10-17(7-6-16(19)11-22)25-12-15-8-9-27-13-15/h2-10,13,20H,12H2,1H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro ability to antagonise the binding of [125I]-ET-1 to the rat aortic A10 cell membrane endothelin A receptor.				J Med Chem 43: 900-10 (2000) BindingDB Entry DOI: 10.7270/Q2154G73
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50065513 (4-[2-Oxazol-2-yl-5-(thiophen-3-ylmethoxy)-phenoxy]...) Show SMILES Cc1ccccc1C(CCC(O)=O)Oc1cc(OCc2ccsc2)ccc1-c1ncco1 Show InChI InChI=1S/C25H23NO5S/c1-17-4-2-3-5-20(17)22(8-9-24(27)28)31-23-14-19(30-15-18-10-13-32-16-18)6-7-21(23)25-26-11-12-29-25/h2-7,10-14,16,22H,8-9,15H2,1H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro inhibition of [125I]ET1 binding to rat A10 cell Endothelin A receptor.				J Med Chem 41: 2732-44 (1998) Article DOI: 10.1021/jm9707131 BindingDB Entry DOI: 10.7270/Q2HM594W
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50065515 ((R)-4-[2-Cyano-5-(pyridin-4-ylmethoxy)-phenoxy]-4-...) Show SMILES Cc1ccccc1[C@@H](CCC(O)=O)Oc1cc(OCc2ccncc2)ccc1C#N Show InChI InChI=1S/C24H22N2O4/c1-17-4-2-3-5-21(17)22(8-9-24(27)28)30-23-14-20(7-6-19(23)15-25)29-16-18-10-12-26-13-11-18/h2-7,10-14,22H,8-9,16H2,1H3,(H,27,28)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro inhibition of [125I]ET1 binding to rat A10 cell Endothelin A receptor.				J Med Chem 41: 2732-44 (1998) Article DOI: 10.1021/jm9707131 BindingDB Entry DOI: 10.7270/Q2HM594W
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50085854 (CHEMBL171638 | [2-Cyano-5-(thiophen-3-ylmethoxy)-p...) Show SMILES OC(=O)C(Oc1cc(OCc2ccsc2)ccc1C#N)c1ccccc1F Show InChI InChI=1S/C20H14FNO4S/c21-17-4-2-1-3-16(17)19(20(23)24)26-18-9-15(6-5-14(18)10-22)25-11-13-7-8-27-12-13/h1-9,12,19H,11H2,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro ability to antagonise the binding of [125I]-ET-1 to the rat aortic A10 cell membrane endothelin A receptor.				J Med Chem 43: 900-10 (2000) BindingDB Entry DOI: 10.7270/Q2154G73
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50085832 (CHEMBL171513 | [2-Cyano-5-(2-fluoro-pyridin-4-ylme...) Show SMILES Cc1ccccc1C(Oc1cc(OCc2ccnc(F)c2)ccc1C#N)C(O)=O Show InChI InChI=1S/C22H17FN2O4/c1-14-4-2-3-5-18(14)21(22(26)27)29-19-11-17(7-6-16(19)12-24)28-13-15-8-9-25-20(23)10-15/h2-11,21H,13H2,1H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro ability to antagonise the binding of [125I]-ET-1 to the rat aortic A10 cell membrane endothelin A receptor.				J Med Chem 43: 900-10 (2000) BindingDB Entry DOI: 10.7270/Q2154G73
					More data for this Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50051881 (1-{4-[2-(4,5-Diphenyl-1H-imidazol-2-yl)-5-methyl-[...) Show SMILES Cc1cc(C)n(CCCCC2(C)COC(OC2)c2nc(c([nH]2)-c2ccccc2)-c2ccccc2)n1 |(17.48,-4.71,;16.19,-5.55,;14.76,-4.99,;13.79,-6.2,;12.25,-6.13,;14.64,-7.49,;14.24,-8.98,;12.75,-9.39,;12.35,-10.86,;10.86,-11.26,;10.45,-12.74,;11.77,-13.51,;9.19,-13.16,;7.56,-12.54,;6.79,-13.89,;7.98,-13.47,;9.69,-14.08,;5.45,-13.12,;5.04,-11.63,;3.5,-11.56,;2.96,-12.98,;4.15,-13.96,;1.48,-13.4,;.38,-12.31,;-1.09,-12.7,;-1.49,-14.2,;-.39,-15.28,;1.08,-14.87,;2.66,-10.26,;3.36,-8.88,;2.52,-7.6,;.99,-7.69,;.29,-9.07,;1.13,-10.35,;16.12,-7.08,)| Show InChI InChI=1S/C29H34N4O2/c1-21-18-22(2)33(32-21)17-11-10-16-29(3)19-34-28(35-20-29)27-30-25(23-12-6-4-7-13-23)26(31-27)24-14-8-5-9-15-24/h4-9,12-15,18,28H,10-11,16-17,19-20H2,1-3H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibitory concentration of the compound was evaluated as concentration required to inhibit 50% activity of the rabbit artery Acyl coenzyme A:cholest...				J Med Chem 39: 1423-32 (1996) Article DOI: 10.1021/jm9505876 BindingDB Entry DOI: 10.7270/Q2TB160C
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50051901 (1-[5-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-penty...) Show SMILES Cc1cc(C)n(CCCCCSc2nc(c([nH]2)-c2ccccc2)-c2ccccc2)n1 Show InChI InChI=1S/C25H28N4S/c1-19-18-20(2)29(28-19)16-10-5-11-17-30-25-26-23(21-12-6-3-7-13-21)24(27-25)22-14-8-4-9-15-22/h3-4,6-9,12-15,18H,5,10-11,16-17H2,1-2H3,(H,26,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase 1 from rat liver.				J Med Chem 39: 1423-32 (1996) Article DOI: 10.1021/jm9505876 BindingDB Entry DOI: 10.7270/Q2TB160C
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50065521 (4-[2-Acetyl-5-(thiophen-3-ylmethoxy)-phenoxy]-4-o-...) Show SMILES CC(=O)c1ccc(OCc2ccsc2)cc1OC(CCC(O)=O)c1ccccc1C Show InChI InChI=1S/C24H24O5S/c1-16-5-3-4-6-20(16)22(9-10-24(26)27)29-23-13-19(7-8-21(23)17(2)25)28-14-18-11-12-30-15-18/h3-8,11-13,15,22H,9-10,14H2,1-2H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro inhibition of [125I]ET1 binding to rat A10 cell Endothelin A receptor.				J Med Chem 41: 2732-44 (1998) Article DOI: 10.1021/jm9707131 BindingDB Entry DOI: 10.7270/Q2HM594W
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50065512 (4-[2-Carbamoyl-5-(thiophen-3-ylmethoxy)-phenoxy]-4...) Show SMILES Cc1ccccc1C(CCC(O)=O)Oc1cc(OCc2ccsc2)ccc1C(N)=O Show InChI InChI=1S/C23H23NO5S/c1-15-4-2-3-5-18(15)20(8-9-22(25)26)29-21-12-17(6-7-19(21)23(24)27)28-13-16-10-11-30-14-16/h2-7,10-12,14,20H,8-9,13H2,1H3,(H2,24,27)(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro inhibition of [125I]ET1 binding to rat A10 cell Endothelin A receptor.				J Med Chem 41: 2732-44 (1998) Article DOI: 10.1021/jm9707131 BindingDB Entry DOI: 10.7270/Q2HM594W
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50085864 (CHEMBL354740 | [2-Cyano-5-(thiazol-5-ylmethoxy)-ph...) Show SMILES Cc1ccccc1C(Oc1cc(OCc2cncs2)ccc1C#N)C(O)=O Show InChI InChI=1S/C20H16N2O4S/c1-13-4-2-3-5-17(13)19(20(23)24)26-18-8-15(7-6-14(18)9-21)25-11-16-10-22-12-27-16/h2-8,10,12,19H,11H2,1H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro ability to antagonise the binding of [125I]-ET-1 to the rat aortic A10 cell membrane endothelin A receptor.				J Med Chem 43: 900-10 (2000) BindingDB Entry DOI: 10.7270/Q2154G73
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50085839 (CHEMBL170348 | [2-Cyano-5-(pyridin-3-ylmethoxy)-ph...) Show SMILES Cc1ccccc1C(Oc1cc(OCc2cccnc2)ccc1C#N)C(O)=O Show InChI InChI=1S/C22H18N2O4/c1-15-5-2-3-7-19(15)21(22(25)26)28-20-11-18(9-8-17(20)12-23)27-14-16-6-4-10-24-13-16/h2-11,13,21H,14H2,1H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro ability to antagonise the binding of [125I]-ET-1 to the rat aortic A10 cell membrane endothelin A receptor.				J Med Chem 43: 900-10 (2000) BindingDB Entry DOI: 10.7270/Q2154G73
					More data for this Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50051901 (1-[5-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-penty...) Show SMILES Cc1cc(C)n(CCCCCSc2nc(c([nH]2)-c2ccccc2)-c2ccccc2)n1 Show InChI InChI=1S/C25H28N4S/c1-19-18-20(2)29(28-19)16-10-5-11-17-30-25-26-23(21-12-6-3-7-13-21)24(27-25)22-14-8-4-9-15-22/h3-4,6-9,12-15,18H,5,10-11,16-17H2,1-2H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibitory concentration of the compound was evaluated as concentration required to inhibit 50% activity of the rabbit artery Acyl coenzyme A:cholest...				J Med Chem 39: 1423-32 (1996) Article DOI: 10.1021/jm9505876 BindingDB Entry DOI: 10.7270/Q2TB160C
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50051901 (1-[5-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-penty...) Show SMILES Cc1cc(C)n(CCCCCSc2nc(c([nH]2)-c2ccccc2)-c2ccccc2)n1 Show InChI InChI=1S/C25H28N4S/c1-19-18-20(2)29(28-19)16-10-5-11-17-30-25-26-23(21-12-6-3-7-13-21)24(27-25)22-14-8-4-9-15-22/h3-4,6-9,12-15,18H,5,10-11,16-17H2,1-2H3,(H,26,27)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibitory concentration of the compound was evaluated as concentration required to inhibit 50% of the Acyl coenzyme A:cholesterol acyltransferase 1 ...				J Med Chem 39: 1423-32 (1996) Article DOI: 10.1021/jm9505876 BindingDB Entry DOI: 10.7270/Q2TB160C
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50065520 (4-[2-Pyridin-2-yl-5-(thiophen-3-ylmethoxy)-phenoxy...) Show SMILES Cc1ccccc1C(CCC(O)=O)Oc1cc(OCc2ccsc2)ccc1-c1ccccn1 Show InChI InChI=1S/C27H25NO4S/c1-19-6-2-3-7-22(19)25(11-12-27(29)30)32-26-16-21(31-17-20-13-15-33-18-20)9-10-23(26)24-8-4-5-14-28-24/h2-10,13-16,18,25H,11-12,17H2,1H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro inhibition of [125I]ET1 binding to rat A10 cell Endothelin A receptor.				J Med Chem 41: 2732-44 (1998) Article DOI: 10.1021/jm9707131 BindingDB Entry DOI: 10.7270/Q2HM594W
					More data for this Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50051901 (1-[5-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-penty...) Show SMILES Cc1cc(C)n(CCCCCSc2nc(c([nH]2)-c2ccccc2)-c2ccccc2)n1 Show InChI InChI=1S/C25H28N4S/c1-19-18-20(2)29(28-19)16-10-5-11-17-30-25-26-23(21-12-6-3-7-13-21)24(27-25)22-14-8-4-9-15-22/h3-4,6-9,12-15,18H,5,10-11,16-17H2,1-2H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibitory concentration of the compound was evaluated as concentration required to inhibit 50% activity of the rabbit liver Acyl coenzyme A:choleste...				J Med Chem 39: 1423-32 (1996) Article DOI: 10.1021/jm9505876 BindingDB Entry DOI: 10.7270/Q2TB160C
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50085856 (CHEMBL355413 | [5-(Benzo[1,3]dioxol-5-ylmethoxy)-2...) Show SMILES OC(=O)C(Oc1cc(OCc2ccc3OCOc3c2)ccc1C#N)c1ccccc1 Show InChI InChI=1S/C23H17NO6/c24-12-17-7-8-18(27-13-15-6-9-19-21(10-15)29-14-28-19)11-20(17)30-22(23(25)26)16-4-2-1-3-5-16/h1-11,22H,13-14H2,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro ability to antagonise the binding of [125I]-ET-1 to the rat aortic A10 cell membrane endothelin A receptor.				J Med Chem 43: 900-10 (2000) BindingDB Entry DOI: 10.7270/Q2154G73
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50085858 ((2-Chloro-phenyl)-[2-cyano-5-(pyridazin-4-ylmethox...) Show SMILES OC(=O)C(Oc1cc(OCc2ccnnc2)ccc1C#N)c1ccccc1Cl Show InChI InChI=1S/C20H14ClN3O4/c21-17-4-2-1-3-16(17)19(20(25)26)28-18-9-15(6-5-14(18)10-22)27-12-13-7-8-23-24-11-13/h1-9,11,19H,12H2,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro ability to antagonise the binding of [125I]-ET-1 to the rat aortic A10 cell membrane endothelin A receptor.				J Med Chem 43: 900-10 (2000) BindingDB Entry DOI: 10.7270/Q2154G73
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50085860 ((5-Benzyloxy-2-cyano-phenoxy)-o-tolyl-acetic acid ...) Show SMILES Cc1ccccc1C(Oc1cc(OCc2ccccc2)ccc1C#N)C(O)=O Show InChI InChI=1S/C23H19NO4/c1-16-7-5-6-10-20(16)22(23(25)26)28-21-13-19(12-11-18(21)14-24)27-15-17-8-3-2-4-9-17/h2-13,22H,15H2,1H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro ability to antagonise the binding of [125I]-ET-1 to the rat aortic A10 cell membrane endothelin A receptor.				J Med Chem 43: 900-10 (2000) BindingDB Entry DOI: 10.7270/Q2154G73
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50051888 (CHEMBL284378 | {4-[2-(4,5-Diphenyl-1H-imidazol-2-y...) Show SMILES CN(CCCCC1(C)COC(OC1)c1nc(c([nH]1)-c1ccccc1)-c1ccccc1)c1ccccn1 |(11.88,.67,;10.34,.67,;9.95,-.82,;10.74,-2.15,;9.97,-3.48,;10.69,-4.74,;9.55,-5.82,;10.65,-6.89,;8.8,-7.15,;7.08,-6.54,;5.89,-6.96,;6.66,-5.61,;8.29,-6.24,;4.56,-6.19,;4.14,-4.7,;2.62,-4.63,;2.06,-6.05,;3.27,-7.03,;.57,-6.47,;-.51,-5.37,;-2,-5.77,;-2.4,-7.26,;-1.3,-8.36,;.19,-7.94,;1.76,-3.32,;2.46,-1.94,;1.62,-.66,;.08,-.75,;-.6,-2.13,;.24,-3.41,;10.34,2.21,;8.99,2.98,;8.97,4.5,;10.3,5.29,;11.65,4.54,;11.67,3,)| Show InChI InChI=1S/C30H34N4O2/c1-30(18-10-12-20-34(2)25-17-9-11-19-31-25)21-35-29(36-22-30)28-32-26(23-13-5-3-6-14-23)27(33-28)24-15-7-4-8-16-24/h3-9,11,13-17,19,29H,10,12,18,20-22H2,1-2H3,(H,32,33)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibitory concentration of the compound was evaluated as concentration required to inhibit 50% of the Acyl coenzyme A:cholesterol acyltransferase 1 ...				J Med Chem 39: 1423-32 (1996) Article DOI: 10.1021/jm9505876 BindingDB Entry DOI: 10.7270/Q2TB160C
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50051898 (1-{4-[2-(4,5-Diphenyl-1H-imidazol-2-yl)-5-methyl-[...) Show SMILES CC1(CCCCN2CCN(CC2)c2nccs2)COC(OC1)c1nc(c([nH]1)-c1ccccc1)-c1ccccc1 |(14.14,-13.82,;12.81,-13.05,;13.21,-11.57,;12.13,-10.48,;12.54,-8.99,;11.46,-7.89,;11.88,-6.4,;13.35,-6.03,;13.77,-4.55,;12.7,-3.44,;11.21,-3.83,;10.79,-5.32,;13.12,-1.96,;11.98,-.93,;12.58,.48,;14.12,.33,;14.45,-1.17,;11.53,-13.47,;9.9,-12.86,;9.15,-14.21,;10.32,-13.79,;12.05,-14.4,;7.8,-13.42,;7.4,-11.93,;5.86,-11.86,;5.3,-13.31,;6.51,-14.28,;3.81,-13.7,;3.43,-15.2,;1.94,-15.59,;.85,-14.52,;1.24,-13.03,;2.73,-12.62,;5,-10.58,;5.7,-9.2,;4.86,-7.92,;3.32,-7.99,;2.64,-9.38,;3.48,-10.66,)| Show InChI InChI=1S/C31H37N5O2S/c1-31(14-8-9-16-35-17-19-36(20-18-35)30-32-15-21-39-30)22-37-29(38-23-31)28-33-26(24-10-4-2-5-11-24)27(34-28)25-12-6-3-7-13-25/h2-7,10-13,15,21,29H,8-9,14,16-20,22-23H2,1H3,(H,33,34)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibitory concentration of the compound was evaluated as concentration required to inhibit 50% of the Acyl coenzyme A:cholesterol acyltransferase 1 ...				J Med Chem 39: 1423-32 (1996) Article DOI: 10.1021/jm9505876 BindingDB Entry DOI: 10.7270/Q2TB160C
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50085844 ((2-Bromo-phenyl)-[2-cyano-5-(thiophen-3-ylmethoxy)...) Show SMILES OC(=O)C(Oc1cc(OCc2ccsc2)ccc1C#N)c1ccccc1Br Show InChI InChI=1S/C20H14BrNO4S/c21-17-4-2-1-3-16(17)19(20(23)24)26-18-9-15(6-5-14(18)10-22)25-11-13-7-8-27-12-13/h1-9,12,19H,11H2,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro ability to antagonise the binding of [125I]-ET-1 to the rat aortic A10 cell membrane endothelin A receptor.				J Med Chem 43: 900-10 (2000) BindingDB Entry DOI: 10.7270/Q2154G73
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50085837 (CHEMBL170715 | [2-Cyano-5-(thiophen-3-ylmethoxy)-p...) Show SMILES OC(=O)C(Oc1cc(OCc2ccsc2)ccc1C#N)c1ccccc1C(F)(F)F Show InChI InChI=1S/C21H14F3NO4S/c22-21(23,24)17-4-2-1-3-16(17)19(20(26)27)29-18-9-15(6-5-14(18)10-25)28-11-13-7-8-30-12-13/h1-9,12,19H,11H2,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro ability to antagonise the binding of [125I]-ET-1 to the rat aortic A10 cell membrane endothelin A receptor.				J Med Chem 43: 900-10 (2000) BindingDB Entry DOI: 10.7270/Q2154G73
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50051883 (1-{5-[2-(4,5-Diphenyl-1H-imidazol-2-yl)-5-methyl-[...) Show SMILES Cc1cc(C)n(CCCCCC2(C)COC(OC2)c2nc(c([nH]2)-c2ccccc2)-c2ccccc2)n1 |(10.96,-4.93,;10.8,-6.47,;9.47,-7.23,;9.8,-8.75,;8.77,-9.89,;11.34,-8.91,;12.12,-10.26,;11.03,-11.35,;11.8,-12.69,;11.05,-14.02,;11.83,-15.36,;11.84,-16.9,;13.17,-17.67,;11.08,-18.24,;9.36,-17.63,;8.18,-18.05,;8.94,-16.7,;10.57,-17.32,;6.84,-17.28,;6.43,-15.79,;4.9,-15.72,;4.34,-17.16,;5.55,-18.12,;2.85,-17.56,;1.77,-16.47,;.29,-16.88,;-.11,-18.37,;.99,-19.45,;2.47,-19.05,;4.04,-14.43,;4.74,-13.06,;3.9,-11.77,;2.36,-11.85,;1.68,-13.23,;2.52,-14.51,;11.96,-7.49,)| Show InChI InChI=1S/C30H36N4O2/c1-22-19-23(2)34(33-22)18-12-6-11-17-30(3)20-35-29(36-21-30)28-31-26(24-13-7-4-8-14-24)27(32-28)25-15-9-5-10-16-25/h4-5,7-10,13-16,19,29H,6,11-12,17-18,20-21H2,1-3H3,(H,31,32)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibitory concentration of the compound was evaluated as concentration required to inhibit 50% of the activity of human Acyl coenzyme A:cholesterol ...				J Med Chem 39: 1423-32 (1996) Article DOI: 10.1021/jm9505876 BindingDB Entry DOI: 10.7270/Q2TB160C
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50051890 (2-{4-[2-(4,5-Diphenyl-1H-imidazol-2-yl)-5-methyl-[...) Show SMILES CC1(CCCCN2CCc3ccccc3C2)COC(OC1)c1nc(c([nH]1)-c1ccccc1)-c1ccccc1 |(11.65,-14.64,;10.9,-13.31,;12.1,-12.35,;13.52,-12.87,;14.71,-11.9,;16.16,-12.44,;17.36,-11.46,;17.35,-9.92,;18.69,-9.15,;20.02,-9.92,;21.33,-9.17,;22.66,-9.95,;22.66,-11.46,;21.32,-12.23,;20,-11.46,;18.69,-12.24,;9.62,-13.73,;7.98,-13.12,;7.22,-14.47,;8.4,-14.05,;10.13,-14.66,;5.88,-13.69,;5.47,-12.19,;3.93,-12.12,;3.37,-13.57,;4.57,-14.54,;1.88,-13.97,;.8,-12.88,;-.69,-13.29,;-1.09,-14.79,;.01,-15.86,;1.5,-15.46,;3.07,-10.83,;3.77,-9.45,;2.93,-8.17,;1.39,-8.24,;.7,-9.63,;1.54,-10.92,)| Show InChI InChI=1S/C33H37N3O2/c1-33(19-10-11-20-36-21-18-25-12-8-9-17-28(25)22-36)23-37-32(38-24-33)31-34-29(26-13-4-2-5-14-26)30(35-31)27-15-6-3-7-16-27/h2-9,12-17,32H,10-11,18-24H2,1H3,(H,34,35)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibitory concentration of the compound was evaluated as concentration required to inhibit 50% of the Acyl coenzyme A:cholesterol acyltransferase 1 ...				J Med Chem 39: 1423-32 (1996) Article DOI: 10.1021/jm9505876 BindingDB Entry DOI: 10.7270/Q2TB160C
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50085836 (CHEMBL172412 | [2-Cyano-5-(furan-3-ylmethoxy)-phen...) Show SMILES Cc1ccccc1C(Oc1cc(OCc2ccoc2)ccc1C#N)C(O)=O Show InChI InChI=1S/C21H17NO5/c1-14-4-2-3-5-18(14)20(21(23)24)27-19-10-17(7-6-16(19)11-22)26-13-15-8-9-25-12-15/h2-10,12,20H,13H2,1H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro ability to antagonise the binding of [125I]-ET-1 to the rat aortic A10 cell membrane endothelin A receptor.				J Med Chem 43: 900-10 (2000) BindingDB Entry DOI: 10.7270/Q2154G73
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50065522 ((R)-4-[5-(Benzo[1,3]dioxol-5-ylmethoxy)-2-cyano-ph...) Show SMILES Cc1ccccc1[C@@H](CCC(O)=O)Oc1cc(OCc2ccc3OCOc3c2)ccc1C#N Show InChI InChI=1S/C26H23NO6/c1-17-4-2-3-5-21(17)22(10-11-26(28)29)33-24-13-20(8-7-19(24)14-27)30-15-18-6-9-23-25(12-18)32-16-31-23/h2-9,12-13,22H,10-11,15-16H2,1H3,(H,28,29)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro inhibition of [125I]ET1 binding to rat A10 cell Endothelin A receptor.				J Med Chem 41: 2732-44 (1998) Article DOI: 10.1021/jm9707131 BindingDB Entry DOI: 10.7270/Q2HM594W
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50085852 (CHEMBL174229 | [2-Cyano-5-(thiophen-3-ylmethoxy)-p...) Show SMILES OC(=O)C(Oc1cc(OCc2ccsc2)ccc1C#N)c1ccccc1 Show InChI InChI=1S/C20H15NO4S/c21-11-16-6-7-17(24-12-14-8-9-26-13-14)10-18(16)25-19(20(22)23)15-4-2-1-3-5-15/h1-10,13,19H,12H2,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro ability to antagonise the binding of [125I]-ET-1 to the rat aortic A10 cell membrane endothelin A receptor.				J Med Chem 43: 900-10 (2000) BindingDB Entry DOI: 10.7270/Q2154G73
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50051891 (1-{4-[2-(4,5-Diphenyl-1H-imidazol-2-yl)-5-methyl-[...) Show SMILES CC1(CCCCN2CCN(CC2)c2ccccc2)COC(OC1)c1nc(c([nH]1)-c1ccccc1)-c1ccccc1 |(10.62,-13.02,;9.29,-12.25,;10.04,-10.9,;8.94,-9.81,;9.71,-8.48,;8.61,-7.37,;8.99,-5.88,;10.48,-5.51,;10.92,-4.04,;9.85,-2.92,;8.36,-3.3,;7.92,-4.77,;10.27,-1.45,;11.77,-1.08,;12.21,.4,;11.14,1.51,;9.64,1.14,;9.22,-.33,;8.01,-12.67,;6.38,-12.05,;5.62,-13.4,;6.8,-12.98,;8.52,-13.59,;4.28,-12.63,;3.86,-11.14,;2.33,-11.07,;1.78,-12.51,;2.99,-13.47,;.29,-12.91,;-.79,-11.81,;-2.28,-12.23,;-2.68,-13.72,;-1.58,-14.8,;-.09,-14.4,;1.48,-9.78,;2.18,-8.4,;1.34,-7.12,;-.2,-7.19,;-.89,-8.57,;-.05,-9.85,)| Show InChI InChI=1S/C34H40N4O2/c1-34(19-11-12-20-37-21-23-38(24-22-37)29-17-9-4-10-18-29)25-39-33(40-26-34)32-35-30(27-13-5-2-6-14-27)31(36-32)28-15-7-3-8-16-28/h2-10,13-18,33H,11-12,19-26H2,1H3,(H,35,36)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibitory concentration of the compound was evaluated as concentration required to inhibit 50% of the activity of human Acyl coenzyme A:cholesterol ...				J Med Chem 39: 1423-32 (1996) Article DOI: 10.1021/jm9505876 BindingDB Entry DOI: 10.7270/Q2TB160C
					More data for this Ligand-Target Pair

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