Compile Data Set for Download or QSAR

Found 52 hits Enz. Inhib. hit(s) with all data for entry = 50008628   

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
Endothelin receptor type B (Homo sapiens (Human))	BDBM50075421 (7-(Ethyl-methanesulfonyl-amino)-1-(2-methoxy-benzy...) Show SMILES CCN(c1ccc2c(c1)oc1c(-c3ccc(OC)cc3)c(C(O)=O)c(=O)n(Cc3ccccc3OC)c21)S(C)(=O)=O Show InChI InChI=1S/C30H28N2O8S/c1-5-32(41(4,36)37)20-12-15-22-24(16-20)40-28-25(18-10-13-21(38-2)14-11-18)26(30(34)35)29(33)31(27(22)28)17-19-8-6-7-9-23(19)39-3/h6-16H,5,17H2,1-4H3,(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Ability to displace [125I]-Endothelin-1 from endothelin B receptor in porcine kidney membranes				Bioorg Med Chem Lett 9: 619-22 (1999) BindingDB Entry DOI: 10.7270/Q2DB811P
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50075429 (7-(Methanesulfonyl-methyl-amino)-1-(2-methoxy-benz...) Show SMILES COc1ccc(cc1)-c1c(C(O)=O)c(=O)n(Cc2ccccc2OC)c2c3ccc(cc3oc12)N(C)S(C)(=O)=O Show InChI InChI=1S/C29H26N2O8S/c1-30(40(4,35)36)19-11-14-21-23(15-19)39-27-24(17-9-12-20(37-2)13-10-17)25(29(33)34)28(32)31(26(21)27)16-18-7-5-6-8-22(18)38-3/h5-15H,16H2,1-4H3,(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Ability to displace [125I]-Endothelin-1 from endothelin B receptor in porcine kidney membranes				Bioorg Med Chem Lett 9: 619-22 (1999) BindingDB Entry DOI: 10.7270/Q2DB811P
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50075422 (7-(Methanesulfonyl-propyl-amino)-1-(2-methoxy-benz...) Show SMILES CCCN(c1ccc2c(c1)oc1c(-c3ccc(OC)cc3)c(C(O)=O)c(=O)n(Cc3ccccc3OC)c21)S(C)(=O)=O Show InChI InChI=1S/C31H30N2O8S/c1-5-16-33(42(4,37)38)21-12-15-23-25(17-21)41-29-26(19-10-13-22(39-2)14-11-19)27(31(35)36)30(34)32(28(23)29)18-20-8-6-7-9-24(20)40-3/h6-15,17H,5,16,18H2,1-4H3,(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Ability to displace [125I]-Endothelin-1 from endothelin B receptor in porcine kidney membranes				Bioorg Med Chem Lett 9: 619-22 (1999) BindingDB Entry DOI: 10.7270/Q2DB811P
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50075412 (1-(2,5-Dimethoxy-benzyl)-4-(4-methoxy-phenyl)-2-ox...) Show SMILES COc1ccc(cc1)-c1c(C(O)=O)c(=O)n(Cc2cc(OC)ccc2OC)c2c1oc1ccccc21 Show InChI InChI=1S/C28H23NO7/c1-33-18-10-8-16(9-11-18)23-24(28(31)32)27(30)29(15-17-14-19(34-2)12-13-21(17)35-3)25-20-6-4-5-7-22(20)36-26(23)25/h4-14H,15H2,1-3H3,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Ability to displace [125I]-Endothelin-1 from endothelin A receptor in rat aorta membranes				Bioorg Med Chem Lett 9: 619-22 (1999) BindingDB Entry DOI: 10.7270/Q2DB811P
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50075435 (7-Amino-1-(2-methoxy-benzyl)-4-(4-methoxy-phenyl)-...) Show SMILES COc1ccc(cc1)-c1c(C(O)=O)c(=O)n(Cc2ccccc2OC)c2c1oc1cc(N)ccc21 Show InChI InChI=1S/C27H22N2O6/c1-33-18-10-7-15(8-11-18)22-23(27(31)32)26(30)29(14-16-5-3-4-6-20(16)34-2)24-19-12-9-17(28)13-21(19)35-25(22)24/h3-13H,14,28H2,1-2H3,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Ability to displace [125I]-Endothelin-1 from endothelin B receptor in porcine kidney membranes				Bioorg Med Chem Lett 9: 619-22 (1999) BindingDB Entry DOI: 10.7270/Q2DB811P
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50075412 (1-(2,5-Dimethoxy-benzyl)-4-(4-methoxy-phenyl)-2-ox...) Show SMILES COc1ccc(cc1)-c1c(C(O)=O)c(=O)n(Cc2cc(OC)ccc2OC)c2c1oc1ccccc21 Show InChI InChI=1S/C28H23NO7/c1-33-18-10-8-16(9-11-18)23-24(28(31)32)27(30)29(15-17-14-19(34-2)12-13-21(17)35-3)25-20-6-4-5-7-22(20)36-26(23)25/h4-14H,15H2,1-3H3,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Ability to displace [125I]-Endothelin-1 from endothelin B receptor in porcine kidney membranes				Bioorg Med Chem Lett 9: 619-22 (1999) BindingDB Entry DOI: 10.7270/Q2DB811P
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50075417 (1-(2-Methoxy-benzyl)-4-(4-methoxy-phenyl)-2-oxo-1,...) Show SMILES COc1ccc(cc1)-c1c(C(O)=O)c(=O)n(Cc2ccccc2OC)c2c1oc1ccccc21 Show InChI InChI=1S/C27H21NO6/c1-32-18-13-11-16(12-14-18)22-23(27(30)31)26(29)28(15-17-7-3-5-9-20(17)33-2)24-19-8-4-6-10-21(19)34-25(22)24/h3-14H,15H2,1-2H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Ability to displace [125I]-Endothelin-1 from endothelin B receptor in porcine kidney membranes				Bioorg Med Chem Lett 9: 619-22 (1999) BindingDB Entry DOI: 10.7270/Q2DB811P
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50075424 (7-Methanesulfonylamino-1-(2-methoxy-benzyl)-4-(4-m...) Show SMILES COc1ccc(cc1)-c1c(C(O)=O)c(=O)n(Cc2ccccc2OC)c2c1oc1cc(NS(C)(=O)=O)ccc21 Show InChI InChI=1S/C28H24N2O8S/c1-36-19-11-8-16(9-12-19)23-24(28(32)33)27(31)30(15-17-6-4-5-7-21(17)37-2)25-20-13-10-18(29-39(3,34)35)14-22(20)38-26(23)25/h4-14,29H,15H2,1-3H3,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Ability to displace [125I]-Endothelin-1 from endothelin B receptor in porcine kidney membranes				Bioorg Med Chem Lett 9: 619-22 (1999) BindingDB Entry DOI: 10.7270/Q2DB811P
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50075428 (1-(2-Methoxy-benzyl)-2-oxo-4-(3,4,5-trimethoxy-phe...) Show SMILES COc1ccccc1Cn1c2c(oc3ccccc23)c(-c2cc(OC)c(OC)c(OC)c2)c(C(O)=O)c1=O Show InChI InChI=1S/C29H25NO8/c1-34-19-11-7-5-9-16(19)15-30-25-18-10-6-8-12-20(18)38-27(25)23(24(28(30)31)29(32)33)17-13-21(35-2)26(37-4)22(14-17)36-3/h5-14H,15H2,1-4H3,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Ability to displace [125I]-Endothelin-1 from endothelin B receptor in porcine kidney membranes				Bioorg Med Chem Lett 9: 619-22 (1999) BindingDB Entry DOI: 10.7270/Q2DB811P
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50075419 (1-(2-Methoxy-benzyl)-4-(4-methoxy-phenyl)-7-nitro-...) Show SMILES COc1ccc(cc1)-c1c(C(O)=O)c(=O)n(Cc2ccccc2OC)c2c1oc1cc(ccc21)[N+]([O-])=O Show InChI InChI=1S/C27H20N2O8/c1-35-18-10-7-15(8-11-18)22-23(27(31)32)26(30)28(14-16-5-3-4-6-20(16)36-2)24-19-12-9-17(29(33)34)13-21(19)37-25(22)24/h3-13H,14H2,1-2H3,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Ability to displace [125I]-Endothelin-1 from endothelin B receptor in porcine kidney membranes				Bioorg Med Chem Lett 9: 619-22 (1999) BindingDB Entry DOI: 10.7270/Q2DB811P
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50075413 (4-(4-Methoxy-phenyl)-1-(2-methyl-benzyl)-2-oxo-1,2...) Show SMILES COc1ccc(cc1)-c1c(C(O)=O)c(=O)n(Cc2ccccc2C)c2c1oc1ccccc21 Show InChI InChI=1S/C27H21NO5/c1-16-7-3-4-8-18(16)15-28-24-20-9-5-6-10-21(20)33-25(24)22(23(26(28)29)27(30)31)17-11-13-19(32-2)14-12-17/h3-14H,15H2,1-2H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Ability to displace [125I]-Endothelin-1 from endothelin B receptor in porcine kidney membranes				Bioorg Med Chem Lett 9: 619-22 (1999) BindingDB Entry DOI: 10.7270/Q2DB811P
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50075417 (1-(2-Methoxy-benzyl)-4-(4-methoxy-phenyl)-2-oxo-1,...) Show SMILES COc1ccc(cc1)-c1c(C(O)=O)c(=O)n(Cc2ccccc2OC)c2c1oc1ccccc21 Show InChI InChI=1S/C27H21NO6/c1-32-18-13-11-16(12-14-18)22-23(27(30)31)26(29)28(15-17-7-3-5-9-20(17)33-2)24-19-8-4-6-10-21(19)34-25(22)24/h3-14H,15H2,1-2H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Ability to displace [125I]-Endothelin-1 from endothelin A receptor in rat aorta membranes				Bioorg Med Chem Lett 9: 619-22 (1999) BindingDB Entry DOI: 10.7270/Q2DB811P
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50075413 (4-(4-Methoxy-phenyl)-1-(2-methyl-benzyl)-2-oxo-1,2...) Show SMILES COc1ccc(cc1)-c1c(C(O)=O)c(=O)n(Cc2ccccc2C)c2c1oc1ccccc21 Show InChI InChI=1S/C27H21NO5/c1-16-7-3-4-8-18(16)15-28-24-20-9-5-6-10-21(20)33-25(24)22(23(26(28)29)27(30)31)17-11-13-19(32-2)14-12-17/h3-14H,15H2,1-2H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Ability to displace [125I]-Endothelin-1 from endothelin A receptor in rat aorta membranes				Bioorg Med Chem Lett 9: 619-22 (1999) BindingDB Entry DOI: 10.7270/Q2DB811P
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50075415 (4-(2,4-Dimethoxy-phenyl)-1-(2-methoxy-benzyl)-2-ox...) Show SMILES COc1ccc(c(OC)c1)-c1c(C(O)=O)c(=O)n(Cc2ccccc2OC)c2c1oc1ccccc21 |(.26,7.21,;1.61,6.46,;1.61,4.92,;2.95,4.15,;2.95,2.61,;1.62,1.84,;.29,2.59,;-1.04,1.81,;-2.38,2.58,;.28,4.12,;1.63,.3,;2.97,-.47,;4.3,.32,;5.63,-.45,;4.29,1.86,;2.97,-2.01,;4.3,-2.78,;1.63,-2.78,;1.63,-4.32,;2.97,-5.09,;4.29,-4.32,;5.62,-5.09,;5.63,-6.63,;4.29,-7.4,;2.96,-6.63,;1.63,-7.4,;1.62,-8.94,;.3,-2.01,;.3,-.47,;-1.16,,;-2.07,-1.24,;-3.59,-1.4,;-4.22,-2.78,;-3.31,-4.04,;-1.79,-3.88,;-1.16,-2.48,)| Show InChI InChI=1S/C28H23NO7/c1-33-17-12-13-18(22(14-17)35-3)23-24(28(31)32)27(30)29(15-16-8-4-6-10-20(16)34-2)25-19-9-5-7-11-21(19)36-26(23)25/h4-14H,15H2,1-3H3,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Ability to displace [125I]-Endothelin-1 from endothelin B receptor in porcine kidney membranes				Bioorg Med Chem Lett 9: 619-22 (1999) BindingDB Entry DOI: 10.7270/Q2DB811P
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50075420 (4-(2,5-Dimethoxy-phenyl)-1-(2-methoxy-benzyl)-2-ox...) Show SMILES COc1ccc(OC)c(c1)-c1c(C(O)=O)c(=O)n(Cc2ccccc2OC)c2c1oc1ccccc21 |(4.22,5.18,;4.22,3.64,;2.88,2.87,;1.55,3.64,;.22,2.84,;.22,1.31,;-1.1,.53,;-2.45,1.3,;1.57,.55,;2.9,1.32,;1.57,-.98,;2.91,-1.75,;4.24,-.97,;5.59,-1.74,;4.24,.58,;2.91,-3.3,;4.26,-4.08,;1.57,-4.08,;1.57,-5.62,;2.91,-6.39,;4.24,-5.62,;5.57,-6.38,;5.57,-7.93,;4.24,-8.71,;2.91,-7.93,;1.57,-8.7,;1.57,-10.24,;.24,-3.3,;.24,-1.76,;-1.23,-1.29,;-2.13,-2.53,;-3.65,-2.69,;-4.28,-4.08,;-3.38,-5.34,;-1.85,-5.18,;-1.23,-3.77,)| Show InChI InChI=1S/C28H23NO7/c1-33-17-12-13-21(35-3)19(14-17)23-24(28(31)32)27(30)29(15-16-8-4-6-10-20(16)34-2)25-18-9-5-7-11-22(18)36-26(23)25/h4-14H,15H2,1-3H3,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Ability to displace [125I]-Endothelin-1 from endothelin A receptor in rat aorta membranes				Bioorg Med Chem Lett 9: 619-22 (1999) BindingDB Entry DOI: 10.7270/Q2DB811P
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50075416 (1-(2-Isopropyl-benzyl)-4-(4-methoxy-phenyl)-2-oxo-...) Show SMILES COc1ccc(cc1)-c1c(C(O)=O)c(=O)n(Cc2ccccc2C(C)C)c2c3ccccc3oc12 Show InChI InChI=1S/C29H25NO5/c1-17(2)21-9-5-4-8-19(21)16-30-26-22-10-6-7-11-23(22)35-27(26)24(25(28(30)31)29(32)33)18-12-14-20(34-3)15-13-18/h4-15,17H,16H2,1-3H3,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Ability to displace [125I]-Endothelin-1 from endothelin B receptor in porcine kidney membranes				Bioorg Med Chem Lett 9: 619-22 (1999) BindingDB Entry DOI: 10.7270/Q2DB811P
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50075416 (1-(2-Isopropyl-benzyl)-4-(4-methoxy-phenyl)-2-oxo-...) Show SMILES COc1ccc(cc1)-c1c(C(O)=O)c(=O)n(Cc2ccccc2C(C)C)c2c3ccccc3oc12 Show InChI InChI=1S/C29H25NO5/c1-17(2)21-9-5-4-8-19(21)16-30-26-22-10-6-7-11-23(22)35-27(26)24(25(28(30)31)29(32)33)18-12-14-20(34-3)15-13-18/h4-15,17H,16H2,1-3H3,(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Ability to displace [125I]-Endothelin-1 from endothelin A receptor in rat aorta membranes				Bioorg Med Chem Lett 9: 619-22 (1999) BindingDB Entry DOI: 10.7270/Q2DB811P
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50075418 (1-(2-Ethoxy-benzyl)-4-(4-methoxy-phenyl)-2-oxo-1,2...) Show SMILES CCOc1ccccc1Cn1c2c(oc3ccccc23)c(-c2ccc(OC)cc2)c(C(O)=O)c1=O Show InChI InChI=1S/C28H23NO6/c1-3-34-21-10-6-4-8-18(21)16-29-25-20-9-5-7-11-22(20)35-26(25)23(24(27(29)30)28(31)32)17-12-14-19(33-2)15-13-17/h4-15H,3,16H2,1-2H3,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Ability to displace [125I]-Endothelin-1 from endothelin A receptor in rat aorta membranes				Bioorg Med Chem Lett 9: 619-22 (1999) BindingDB Entry DOI: 10.7270/Q2DB811P
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50075426 (4-Benzo[1,3]dioxol-5-yl-1-(2-methoxy-benzyl)-2-oxo...) Show SMILES COc1ccccc1Cn1c2c3ccccc3oc2c(-c2ccc3OCOc3c2)c(C(O)=O)c1=O Show InChI InChI=1S/C27H19NO7/c1-32-18-8-4-2-6-16(18)13-28-24-17-7-3-5-9-19(17)35-25(24)22(23(26(28)29)27(30)31)15-10-11-20-21(12-15)34-14-33-20/h2-12H,13-14H2,1H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Ability to displace [125I]-Endothelin-1 from endothelin A receptor in rat aorta membranes				Bioorg Med Chem Lett 9: 619-22 (1999) BindingDB Entry DOI: 10.7270/Q2DB811P
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50075415 (4-(2,4-Dimethoxy-phenyl)-1-(2-methoxy-benzyl)-2-ox...) Show SMILES COc1ccc(c(OC)c1)-c1c(C(O)=O)c(=O)n(Cc2ccccc2OC)c2c1oc1ccccc21 |(.26,7.21,;1.61,6.46,;1.61,4.92,;2.95,4.15,;2.95,2.61,;1.62,1.84,;.29,2.59,;-1.04,1.81,;-2.38,2.58,;.28,4.12,;1.63,.3,;2.97,-.47,;4.3,.32,;5.63,-.45,;4.29,1.86,;2.97,-2.01,;4.3,-2.78,;1.63,-2.78,;1.63,-4.32,;2.97,-5.09,;4.29,-4.32,;5.62,-5.09,;5.63,-6.63,;4.29,-7.4,;2.96,-6.63,;1.63,-7.4,;1.62,-8.94,;.3,-2.01,;.3,-.47,;-1.16,,;-2.07,-1.24,;-3.59,-1.4,;-4.22,-2.78,;-3.31,-4.04,;-1.79,-3.88,;-1.16,-2.48,)| Show InChI InChI=1S/C28H23NO7/c1-33-17-12-13-18(22(14-17)35-3)23-24(28(31)32)27(30)29(15-16-8-4-6-10-20(16)34-2)25-19-9-5-7-11-21(19)36-26(23)25/h4-14H,15H2,1-3H3,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Ability to displace [125I]-Endothelin-1 from endothelin A receptor in rat aorta membranes				Bioorg Med Chem Lett 9: 619-22 (1999) BindingDB Entry DOI: 10.7270/Q2DB811P
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50075418 (1-(2-Ethoxy-benzyl)-4-(4-methoxy-phenyl)-2-oxo-1,2...) Show SMILES CCOc1ccccc1Cn1c2c(oc3ccccc23)c(-c2ccc(OC)cc2)c(C(O)=O)c1=O Show InChI InChI=1S/C28H23NO6/c1-3-34-21-10-6-4-8-18(21)16-29-25-20-9-5-7-11-22(20)35-26(25)23(24(27(29)30)28(31)32)17-12-14-19(33-2)15-13-17/h4-15H,3,16H2,1-2H3,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Ability to displace [125I]-Endothelin-1 from endothelin B receptor in porcine kidney membranes				Bioorg Med Chem Lett 9: 619-22 (1999) BindingDB Entry DOI: 10.7270/Q2DB811P
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50075411 (1-(2-Chloro-benzyl)-4-(4-methoxy-phenyl)-2-oxo-1,2...) Show SMILES COc1ccc(cc1)-c1c(C(O)=O)c(=O)n(Cc2ccccc2Cl)c2c1oc1ccccc21 Show InChI InChI=1S/C26H18ClNO5/c1-32-17-12-10-15(11-13-17)21-22(26(30)31)25(29)28(14-16-6-2-4-8-19(16)27)23-18-7-3-5-9-20(18)33-24(21)23/h2-13H,14H2,1H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Ability to displace [125I]-Endothelin-1 from endothelin A receptor in rat aorta membranes				Bioorg Med Chem Lett 9: 619-22 (1999) BindingDB Entry DOI: 10.7270/Q2DB811P
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50075433 (1-(2-Methoxy-benzyl)-4-(3-methoxy-phenyl)-2-oxo-1,...) Show SMILES COc1cccc(c1)-c1c(C(O)=O)c(=O)n(Cc2ccccc2OC)c2c1oc1ccccc21 Show InChI InChI=1S/C27H21NO6/c1-32-18-10-7-9-16(14-18)22-23(27(30)31)26(29)28(15-17-8-3-5-12-20(17)33-2)24-19-11-4-6-13-21(19)34-25(22)24/h3-14H,15H2,1-2H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Ability to displace [125I]-Endothelin-1 from endothelin A receptor in rat aorta membranes				Bioorg Med Chem Lett 9: 619-22 (1999) BindingDB Entry DOI: 10.7270/Q2DB811P
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50075434 (1-(3-Methoxy-benzyl)-4-(4-methoxy-phenyl)-2-oxo-1,...) Show SMILES COc1ccc(cc1)-c1c(C(O)=O)c(=O)n(Cc2cccc(OC)c2)c2c1oc1ccccc21 Show InChI InChI=1S/C27H21NO6/c1-32-18-12-10-17(11-13-18)22-23(27(30)31)26(29)28(15-16-6-5-7-19(14-16)33-2)24-20-8-3-4-9-21(20)34-25(22)24/h3-14H,15H2,1-2H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Ability to displace [125I]-Endothelin-1 from endothelin B receptor in porcine kidney membranes				Bioorg Med Chem Lett 9: 619-22 (1999) BindingDB Entry DOI: 10.7270/Q2DB811P
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50075426 (4-Benzo[1,3]dioxol-5-yl-1-(2-methoxy-benzyl)-2-oxo...) Show SMILES COc1ccccc1Cn1c2c3ccccc3oc2c(-c2ccc3OCOc3c2)c(C(O)=O)c1=O Show InChI InChI=1S/C27H19NO7/c1-32-18-8-4-2-6-16(18)13-28-24-17-7-3-5-9-19(17)35-25(24)22(23(26(28)29)27(30)31)15-10-11-20-21(12-15)34-14-33-20/h2-12H,13-14H2,1H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Ability to displace [125I]-Endothelin-1 from endothelin B receptor in porcine kidney membranes				Bioorg Med Chem Lett 9: 619-22 (1999) BindingDB Entry DOI: 10.7270/Q2DB811P
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50075419 (1-(2-Methoxy-benzyl)-4-(4-methoxy-phenyl)-7-nitro-...) Show SMILES COc1ccc(cc1)-c1c(C(O)=O)c(=O)n(Cc2ccccc2OC)c2c1oc1cc(ccc21)[N+]([O-])=O Show InChI InChI=1S/C27H20N2O8/c1-35-18-10-7-15(8-11-18)22-23(27(31)32)26(30)28(14-16-5-3-4-6-20(16)36-2)24-19-12-9-17(29(33)34)13-21(19)37-25(22)24/h3-13H,14H2,1-2H3,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Ability to displace [125I]-Endothelin-1 from endothelin A receptor in rat aorta membranes				Bioorg Med Chem Lett 9: 619-22 (1999) BindingDB Entry DOI: 10.7270/Q2DB811P
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50075435 (7-Amino-1-(2-methoxy-benzyl)-4-(4-methoxy-phenyl)-...) Show SMILES COc1ccc(cc1)-c1c(C(O)=O)c(=O)n(Cc2ccccc2OC)c2c1oc1cc(N)ccc21 Show InChI InChI=1S/C27H22N2O6/c1-33-18-10-7-15(8-11-18)22-23(27(31)32)26(30)29(14-16-5-3-4-6-20(16)34-2)24-19-12-9-17(28)13-21(19)35-25(22)24/h3-13H,14,28H2,1-2H3,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Ability to displace [125I]-Endothelin-1 from endothelin A receptor in rat aorta membranes				Bioorg Med Chem Lett 9: 619-22 (1999) BindingDB Entry DOI: 10.7270/Q2DB811P
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50075427 (1-Benzyl-4-(4-methoxy-phenyl)-2-oxo-1,2-dihydro-be...) Show SMILES COc1ccc(cc1)-c1c(C(O)=O)c(=O)n(Cc2ccccc2)c2c1oc1ccccc21 Show InChI InChI=1S/C26H19NO5/c1-31-18-13-11-17(12-14-18)21-22(26(29)30)25(28)27(15-16-7-3-2-4-8-16)23-19-9-5-6-10-20(19)32-24(21)23/h2-14H,15H2,1H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Ability to displace [125I]-Endothelin-1 from endothelin A receptor in rat aorta membranes				Bioorg Med Chem Lett 9: 619-22 (1999) BindingDB Entry DOI: 10.7270/Q2DB811P
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50075411 (1-(2-Chloro-benzyl)-4-(4-methoxy-phenyl)-2-oxo-1,2...) Show SMILES COc1ccc(cc1)-c1c(C(O)=O)c(=O)n(Cc2ccccc2Cl)c2c1oc1ccccc21 Show InChI InChI=1S/C26H18ClNO5/c1-32-17-12-10-15(11-13-17)21-22(26(30)31)25(29)28(14-16-6-2-4-8-19(16)27)23-18-7-3-5-9-20(18)33-24(21)23/h2-13H,14H2,1H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Ability to displace [125I]-Endothelin-1 from endothelin B receptor in porcine kidney membranes				Bioorg Med Chem Lett 9: 619-22 (1999) BindingDB Entry DOI: 10.7270/Q2DB811P
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50075434 (1-(3-Methoxy-benzyl)-4-(4-methoxy-phenyl)-2-oxo-1,...) Show SMILES COc1ccc(cc1)-c1c(C(O)=O)c(=O)n(Cc2cccc(OC)c2)c2c1oc1ccccc21 Show InChI InChI=1S/C27H21NO6/c1-32-18-12-10-17(11-13-18)22-23(27(30)31)26(29)28(15-16-6-5-7-19(14-16)33-2)24-20-8-3-4-9-21(20)34-25(22)24/h3-14H,15H2,1-2H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Ability to displace [125I]-Endothelin-1 from endothelin A receptor in rat aorta membranes				Bioorg Med Chem Lett 9: 619-22 (1999) BindingDB Entry DOI: 10.7270/Q2DB811P
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50075430 (4-(4-Methoxy-phenyl)-1-(2-methylsulfanyl-benzyl)-2...) Show SMILES COc1ccc(cc1)-c1c(C(O)=O)c(=O)n(Cc2ccccc2SC)c2c1oc1ccccc21 Show InChI InChI=1S/C27H21NO5S/c1-32-18-13-11-16(12-14-18)22-23(27(30)31)26(29)28(15-17-7-3-6-10-21(17)34-2)24-19-8-4-5-9-20(19)33-25(22)24/h3-14H,15H2,1-2H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Ability to displace [125I]-Endothelin-1 from endothelin A receptor in rat aorta membranes				Bioorg Med Chem Lett 9: 619-22 (1999) BindingDB Entry DOI: 10.7270/Q2DB811P
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50075427 (1-Benzyl-4-(4-methoxy-phenyl)-2-oxo-1,2-dihydro-be...) Show SMILES COc1ccc(cc1)-c1c(C(O)=O)c(=O)n(Cc2ccccc2)c2c1oc1ccccc21 Show InChI InChI=1S/C26H19NO5/c1-31-18-13-11-17(12-14-18)21-22(26(29)30)25(28)27(15-16-7-3-2-4-8-16)23-19-9-5-6-10-20(19)32-24(21)23/h2-14H,15H2,1H3,(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Ability to displace [125I]-Endothelin-1 from endothelin B receptor in porcine kidney membranes				Bioorg Med Chem Lett 9: 619-22 (1999) BindingDB Entry DOI: 10.7270/Q2DB811P
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50075433 (1-(2-Methoxy-benzyl)-4-(3-methoxy-phenyl)-2-oxo-1,...) Show SMILES COc1cccc(c1)-c1c(C(O)=O)c(=O)n(Cc2ccccc2OC)c2c1oc1ccccc21 Show InChI InChI=1S/C27H21NO6/c1-32-18-10-7-9-16(14-18)22-23(27(30)31)26(29)28(15-17-8-3-5-12-20(17)33-2)24-19-11-4-6-13-21(19)34-25(22)24/h3-14H,15H2,1-2H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Ability to displace [125I]-Endothelin-1 from endothelin B receptor in porcine kidney membranes				Bioorg Med Chem Lett 9: 619-22 (1999) BindingDB Entry DOI: 10.7270/Q2DB811P
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50075425 (1-(2,3-Dimethoxy-benzyl)-4-(4-methoxy-phenyl)-2-ox...) Show SMILES COc1ccc(cc1)-c1c(C(O)=O)c(=O)n(Cc2cccc(OC)c2OC)c2c1oc1ccccc21 Show InChI InChI=1S/C28H23NO7/c1-33-18-13-11-16(12-14-18)22-23(28(31)32)27(30)29(15-17-7-6-10-21(34-2)25(17)35-3)24-19-8-4-5-9-20(19)36-26(22)24/h4-14H,15H2,1-3H3,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Ability to displace [125I]-Endothelin-1 from endothelin A receptor in rat aorta membranes				Bioorg Med Chem Lett 9: 619-22 (1999) BindingDB Entry DOI: 10.7270/Q2DB811P
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50075425 (1-(2,3-Dimethoxy-benzyl)-4-(4-methoxy-phenyl)-2-ox...) Show SMILES COc1ccc(cc1)-c1c(C(O)=O)c(=O)n(Cc2cccc(OC)c2OC)c2c1oc1ccccc21 Show InChI InChI=1S/C28H23NO7/c1-33-18-13-11-16(12-14-18)22-23(28(31)32)27(30)29(15-17-7-6-10-21(34-2)25(17)35-3)24-19-8-4-5-9-20(19)36-26(22)24/h4-14H,15H2,1-3H3,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Ability to displace [125I]-Endothelin-1 from endothelin B receptor in porcine kidney membranes				Bioorg Med Chem Lett 9: 619-22 (1999) BindingDB Entry DOI: 10.7270/Q2DB811P
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50075430 (4-(4-Methoxy-phenyl)-1-(2-methylsulfanyl-benzyl)-2...) Show SMILES COc1ccc(cc1)-c1c(C(O)=O)c(=O)n(Cc2ccccc2SC)c2c1oc1ccccc21 Show InChI InChI=1S/C27H21NO5S/c1-32-18-13-11-16(12-14-18)22-23(27(30)31)26(29)28(15-17-7-3-6-10-21(17)34-2)24-19-8-4-5-9-20(19)33-25(22)24/h3-14H,15H2,1-2H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Ability to displace [125I]-Endothelin-1 from endothelin B receptor in porcine kidney membranes				Bioorg Med Chem Lett 9: 619-22 (1999) BindingDB Entry DOI: 10.7270/Q2DB811P
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50075420 (4-(2,5-Dimethoxy-phenyl)-1-(2-methoxy-benzyl)-2-ox...) Show SMILES COc1ccc(OC)c(c1)-c1c(C(O)=O)c(=O)n(Cc2ccccc2OC)c2c1oc1ccccc21 |(4.22,5.18,;4.22,3.64,;2.88,2.87,;1.55,3.64,;.22,2.84,;.22,1.31,;-1.1,.53,;-2.45,1.3,;1.57,.55,;2.9,1.32,;1.57,-.98,;2.91,-1.75,;4.24,-.97,;5.59,-1.74,;4.24,.58,;2.91,-3.3,;4.26,-4.08,;1.57,-4.08,;1.57,-5.62,;2.91,-6.39,;4.24,-5.62,;5.57,-6.38,;5.57,-7.93,;4.24,-8.71,;2.91,-7.93,;1.57,-8.7,;1.57,-10.24,;.24,-3.3,;.24,-1.76,;-1.23,-1.29,;-2.13,-2.53,;-3.65,-2.69,;-4.28,-4.08,;-3.38,-5.34,;-1.85,-5.18,;-1.23,-3.77,)| Show InChI InChI=1S/C28H23NO7/c1-33-17-12-13-21(35-3)19(14-17)23-24(28(31)32)27(30)29(15-16-8-4-6-10-20(16)34-2)25-18-9-5-7-11-22(18)36-26(23)25/h4-14H,15H2,1-3H3,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Ability to displace [125I]-Endothelin-1 from endothelin B receptor in porcine kidney membranes				Bioorg Med Chem Lett 9: 619-22 (1999) BindingDB Entry DOI: 10.7270/Q2DB811P
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50075436 (1-(2,6-Dimethoxy-benzyl)-4-(4-methoxy-phenyl)-2-ox...) Show SMILES COc1ccc(cc1)-c1c(C(O)=O)c(=O)n(Cc2c(OC)cccc2OC)c2c1oc1ccccc21 Show InChI InChI=1S/C28H23NO7/c1-33-17-13-11-16(12-14-17)23-24(28(31)32)27(30)29(15-19-20(34-2)9-6-10-21(19)35-3)25-18-7-4-5-8-22(18)36-26(23)25/h4-14H,15H2,1-3H3,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Ability to displace [125I]-Endothelin-1 from endothelin A receptor in rat aorta membranes				Bioorg Med Chem Lett 9: 619-22 (1999) BindingDB Entry DOI: 10.7270/Q2DB811P
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50075436 (1-(2,6-Dimethoxy-benzyl)-4-(4-methoxy-phenyl)-2-ox...) Show SMILES COc1ccc(cc1)-c1c(C(O)=O)c(=O)n(Cc2c(OC)cccc2OC)c2c1oc1ccccc21 Show InChI InChI=1S/C28H23NO7/c1-33-17-13-11-16(12-14-17)23-24(28(31)32)27(30)29(15-19-20(34-2)9-6-10-21(19)35-3)25-18-7-4-5-8-22(18)36-26(23)25/h4-14H,15H2,1-3H3,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Ability to displace [125I]-Endothelin-1 from endothelin B receptor in porcine kidney membranes				Bioorg Med Chem Lett 9: 619-22 (1999) BindingDB Entry DOI: 10.7270/Q2DB811P
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50075428 (1-(2-Methoxy-benzyl)-2-oxo-4-(3,4,5-trimethoxy-phe...) Show SMILES COc1ccccc1Cn1c2c(oc3ccccc23)c(-c2cc(OC)c(OC)c(OC)c2)c(C(O)=O)c1=O Show InChI InChI=1S/C29H25NO8/c1-34-19-11-7-5-9-16(19)15-30-25-18-10-6-8-12-20(18)38-27(25)23(24(28(30)31)29(32)33)17-13-21(35-2)26(37-4)22(14-17)36-3/h5-14H,15H2,1-4H3,(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Ability to displace [125I]-Endothelin-1 from endothelin A receptor in rat aorta membranes				Bioorg Med Chem Lett 9: 619-22 (1999) BindingDB Entry DOI: 10.7270/Q2DB811P
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50075423 (1-(2-Methoxy-benzyl)-4-(2-methoxy-phenyl)-2-oxo-1,...) Show SMILES COc1ccccc1Cn1c2c(oc3ccccc23)c(-c2ccccc2OC)c(C(O)=O)c1=O |(1.57,-10.24,;1.57,-8.7,;2.91,-7.93,;4.24,-8.71,;5.57,-7.93,;5.57,-6.38,;4.24,-5.62,;2.91,-6.39,;1.57,-5.62,;1.57,-4.08,;.24,-3.3,;.24,-1.76,;-1.23,-1.29,;-2.13,-2.53,;-3.65,-2.69,;-4.28,-4.08,;-3.38,-5.34,;-1.85,-5.18,;-1.23,-3.77,;1.57,-.98,;1.57,.55,;2.9,1.32,;2.88,2.87,;1.55,3.64,;.22,2.84,;.22,1.31,;-1.1,.53,;-2.45,1.3,;2.91,-1.75,;4.24,-.97,;5.59,-1.74,;4.24,.58,;2.91,-3.3,;4.26,-4.08,)| Show InChI InChI=1S/C27H21NO6/c1-32-19-12-6-3-9-16(19)15-28-24-18-11-5-8-14-21(18)34-25(24)22(23(26(28)29)27(30)31)17-10-4-7-13-20(17)33-2/h3-14H,15H2,1-2H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Ability to displace [125I]-Endothelin-1 from endothelin B receptor in porcine kidney membranes				Bioorg Med Chem Lett 9: 619-22 (1999) BindingDB Entry DOI: 10.7270/Q2DB811P
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50075432 (4-(4-Methoxy-phenyl)-2-oxo-1-(2,4,5-trimethoxy-ben...) Show SMILES COc1ccc(cc1)-c1c(C(O)=O)c(=O)n(Cc2cc(OC)c(OC)cc2OC)c2c1oc1ccccc21 Show InChI InChI=1S/C29H25NO8/c1-34-18-11-9-16(10-12-18)24-25(29(32)33)28(31)30(26-19-7-5-6-8-20(19)38-27(24)26)15-17-13-22(36-3)23(37-4)14-21(17)35-2/h5-14H,15H2,1-4H3,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Ability to displace [125I]-Endothelin-1 from endothelin B receptor in porcine kidney membranes				Bioorg Med Chem Lett 9: 619-22 (1999) BindingDB Entry DOI: 10.7270/Q2DB811P
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50075424 (7-Methanesulfonylamino-1-(2-methoxy-benzyl)-4-(4-m...) Show SMILES COc1ccc(cc1)-c1c(C(O)=O)c(=O)n(Cc2ccccc2OC)c2c1oc1cc(NS(C)(=O)=O)ccc21 Show InChI InChI=1S/C28H24N2O8S/c1-36-19-11-8-16(9-12-19)23-24(28(32)33)27(31)30(15-17-6-4-5-7-21(17)37-2)25-20-13-10-18(29-39(3,34)35)14-22(20)38-26(23)25/h4-14,29H,15H2,1-3H3,(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Ability to displace [125I]-Endothelin-1 from endothelin A receptor in rat aorta membranes				Bioorg Med Chem Lett 9: 619-22 (1999) BindingDB Entry DOI: 10.7270/Q2DB811P
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50075431 (1-(4-Methoxy-benzyl)-4-(4-methoxy-phenyl)-2-oxo-1,...) Show SMILES COc1ccc(Cn2c3c(oc4ccccc34)c(-c3ccc(OC)cc3)c(C(O)=O)c2=O)cc1 Show InChI InChI=1S/C27H21NO6/c1-32-18-11-7-16(8-12-18)15-28-24-20-5-3-4-6-21(20)34-25(24)22(23(26(28)29)27(30)31)17-9-13-19(33-2)14-10-17/h3-14H,15H2,1-2H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Ability to displace [125I]-Endothelin-1 from endothelin A receptor in rat aorta membranes				Bioorg Med Chem Lett 9: 619-22 (1999) BindingDB Entry DOI: 10.7270/Q2DB811P
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50075422 (7-(Methanesulfonyl-propyl-amino)-1-(2-methoxy-benz...) Show SMILES CCCN(c1ccc2c(c1)oc1c(-c3ccc(OC)cc3)c(C(O)=O)c(=O)n(Cc3ccccc3OC)c21)S(C)(=O)=O Show InChI InChI=1S/C31H30N2O8S/c1-5-16-33(42(4,37)38)21-12-15-23-25(17-21)41-29-26(19-10-13-22(39-2)14-11-19)27(31(35)36)30(34)32(28(23)29)18-20-8-6-7-9-24(20)40-3/h6-15,17H,5,16,18H2,1-4H3,(H,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Ability to displace [125I]-Endothelin-1 from endothelin A receptor in rat aorta membranes				Bioorg Med Chem Lett 9: 619-22 (1999) BindingDB Entry DOI: 10.7270/Q2DB811P
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50075421 (7-(Ethyl-methanesulfonyl-amino)-1-(2-methoxy-benzy...) Show SMILES CCN(c1ccc2c(c1)oc1c(-c3ccc(OC)cc3)c(C(O)=O)c(=O)n(Cc3ccccc3OC)c21)S(C)(=O)=O Show InChI InChI=1S/C30H28N2O8S/c1-5-32(41(4,36)37)20-12-15-22-24(16-20)40-28-25(18-10-13-21(38-2)14-11-18)26(30(34)35)29(33)31(27(22)28)17-19-8-6-7-9-23(19)39-3/h6-16H,5,17H2,1-4H3,(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Ability to displace [125I]-Endothelin-1 from endothelin A receptor in rat aorta membranes				Bioorg Med Chem Lett 9: 619-22 (1999) BindingDB Entry DOI: 10.7270/Q2DB811P
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50075414 (1-Benzyl-2-oxo-4-phenyl-1,2-dihydro-benzo[4,5]furo...) Show SMILES OC(=O)c1c(-c2ccccc2)c2oc3ccccc3c2n(Cc2ccccc2)c1=O Show InChI InChI=1S/C25H17NO4/c27-24-21(25(28)29)20(17-11-5-2-6-12-17)23-22(18-13-7-8-14-19(18)30-23)26(24)15-16-9-3-1-4-10-16/h1-14H,15H2,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Ability to displace [125I]-Endothelin-1 from endothelin A receptor in rat aorta membranes				Bioorg Med Chem Lett 9: 619-22 (1999) BindingDB Entry DOI: 10.7270/Q2DB811P
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50075423 (1-(2-Methoxy-benzyl)-4-(2-methoxy-phenyl)-2-oxo-1,...) Show SMILES COc1ccccc1Cn1c2c(oc3ccccc23)c(-c2ccccc2OC)c(C(O)=O)c1=O |(1.57,-10.24,;1.57,-8.7,;2.91,-7.93,;4.24,-8.71,;5.57,-7.93,;5.57,-6.38,;4.24,-5.62,;2.91,-6.39,;1.57,-5.62,;1.57,-4.08,;.24,-3.3,;.24,-1.76,;-1.23,-1.29,;-2.13,-2.53,;-3.65,-2.69,;-4.28,-4.08,;-3.38,-5.34,;-1.85,-5.18,;-1.23,-3.77,;1.57,-.98,;1.57,.55,;2.9,1.32,;2.88,2.87,;1.55,3.64,;.22,2.84,;.22,1.31,;-1.1,.53,;-2.45,1.3,;2.91,-1.75,;4.24,-.97,;5.59,-1.74,;4.24,.58,;2.91,-3.3,;4.26,-4.08,)| Show InChI InChI=1S/C27H21NO6/c1-32-19-12-6-3-9-16(19)15-28-24-18-11-5-8-14-21(18)34-25(24)22(23(26(28)29)27(30)31)17-10-4-7-13-20(17)33-2/h3-14H,15H2,1-2H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Ability to displace [125I]-Endothelin-1 from endothelin A receptor in rat aorta membranes				Bioorg Med Chem Lett 9: 619-22 (1999) BindingDB Entry DOI: 10.7270/Q2DB811P
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50075429 (7-(Methanesulfonyl-methyl-amino)-1-(2-methoxy-benz...) Show SMILES COc1ccc(cc1)-c1c(C(O)=O)c(=O)n(Cc2ccccc2OC)c2c3ccc(cc3oc12)N(C)S(C)(=O)=O Show InChI InChI=1S/C29H26N2O8S/c1-30(40(4,35)36)19-11-14-21-23(15-19)39-27-24(17-9-12-20(37-2)13-10-17)25(29(33)34)28(32)31(26(21)27)16-18-7-5-6-8-22(18)38-3/h5-15H,16H2,1-4H3,(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Ability to displace [125I]-Endothelin-1 from endothelin A receptor in rat aorta membranes				Bioorg Med Chem Lett 9: 619-22 (1999) BindingDB Entry DOI: 10.7270/Q2DB811P
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50075431 (1-(4-Methoxy-benzyl)-4-(4-methoxy-phenyl)-2-oxo-1,...) Show SMILES COc1ccc(Cn2c3c(oc4ccccc34)c(-c3ccc(OC)cc3)c(C(O)=O)c2=O)cc1 Show InChI InChI=1S/C27H21NO6/c1-32-18-11-7-16(8-12-18)15-28-24-20-5-3-4-6-21(20)34-25(24)22(23(26(28)29)27(30)31)17-9-13-19(33-2)14-10-17/h3-14H,15H2,1-2H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Ability to displace [125I]-Endothelin-1 from endothelin B receptor in porcine kidney membranes				Bioorg Med Chem Lett 9: 619-22 (1999) BindingDB Entry DOI: 10.7270/Q2DB811P
					More data for this Ligand-Target Pair

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