Compile Data Set for Download or QSAR

Found 26 hits Enz. Inhib. hit(s) with all data for entry = 50007953   

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-1 receptor (RAT)	BDBM50069575 (3-Benzo[1,2,5]thiadiazol-5-yl-5-hydroxy-5-(4-metho...) Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OC)c1)c1ccc2nsnc2c1 |c:14| Show InChI InChI=1S/C27H24N2O7S/c1-32-18-8-6-17(7-9-18)27(31)19(11-15-12-22(33-2)25(35-4)23(13-15)34-3)24(26(30)36-27)16-5-10-20-21(14-16)29-37-28-20/h5-10,12-14,31H,11H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of [125I]-ET-1 binding to rat aorta membrane Endothelin A receptor				Bioorg Med Chem Lett 8: 17-22 (1999) BindingDB Entry DOI: 10.7270/Q23B5Z9H
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50034267 (3-(benzo[d][1,3]dioxol-5-yl)-5-hydroxy-5-(4-methox...) Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OC)c1)c1ccc2OCOc2c1 |c:14| Show InChI InChI=1S/C28H26O9/c1-31-19-8-6-18(7-9-19)28(30)20(11-16-12-23(32-2)26(34-4)24(13-16)33-3)25(27(29)37-28)17-5-10-21-22(14-17)36-15-35-21/h5-10,12-14,30H,11,15H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.440	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of [125I]-ET-1 binding to rat aorta membrane Endothelin A receptor				Bioorg Med Chem Lett 8: 17-22 (1999) BindingDB Entry DOI: 10.7270/Q23B5Z9H
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50069569 (5-Dimethylamino-naphthalene-1-sulfonic acid benzo[...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1ccc2nsnc2c1 Show InChI InChI=1S/C18H16N4O2S2/c1-22(2)17-7-3-6-14-13(17)5-4-8-18(14)26(23,24)21-12-9-10-15-16(11-12)20-25-19-15/h3-11,21H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of [125I]-ET-1 binding to rat aorta membrane Endothelin A receptor				Bioorg Med Chem Lett 8: 17-22 (1999) BindingDB Entry DOI: 10.7270/Q23B5Z9H
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50069571 (3-Benzo[1,3]dioxol-5-yl-1-benzo[1,2,5]thiadiazol-5...) Show SMILES COc1cc2c(c(C(O)=O)n(Cc3ccc4nsnc4c3)c2cc1OC)-c1ccc2OCOc2c1 Show InChI InChI=1S/C25H19N3O6S/c1-31-20-9-15-18(10-21(20)32-2)28(11-13-3-5-16-17(7-13)27-35-26-16)24(25(29)30)23(15)14-4-6-19-22(8-14)34-12-33-19/h3-10H,11-12H2,1-2H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of [125I]-ET-1 binding to rat aorta membrane Endothelin A receptor				Bioorg Med Chem Lett 8: 17-22 (1999) BindingDB Entry DOI: 10.7270/Q23B5Z9H
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50069573 (3-Benzo[1,3]dioxol-5-yl-1-benzo[1,2,5]thiadiazol-5...) Show SMILES CCCOc1ccc2n(Cc3ccc4nsnc4c3)c(C(O)=O)c(-c3ccc4OCOc4c3)c2c1 Show InChI InChI=1S/C26H21N3O5S/c1-2-9-32-17-5-7-21-18(12-17)24(16-4-8-22-23(11-16)34-14-33-22)25(26(30)31)29(21)13-15-3-6-19-20(10-15)28-35-27-19/h3-8,10-12H,2,9,13-14H2,1H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of [125I]-ET-1 binding to rat aorta membrane Endothelin A receptor				Bioorg Med Chem Lett 8: 17-22 (1999) BindingDB Entry DOI: 10.7270/Q23B5Z9H
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50069565 (3-Benzo[1,3]dioxol-5-yl-1-benzo[1,3]dioxol-5-ylmet...) Show SMILES COc1cc2c(c(C(O)=O)n(Cc3ccc4OCOc4c3)c2cc1OC)-c1ccc2OCOc2c1 Show InChI InChI=1S/C26H21NO8/c1-30-20-9-16-17(10-21(20)31-2)27(11-14-3-5-18-22(7-14)34-12-32-18)25(26(28)29)24(16)15-4-6-19-23(8-15)35-13-33-19/h3-10H,11-13H2,1-2H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of [125I]-ET-1 binding to rat aorta membrane Endothelin A receptor				Bioorg Med Chem Lett 8: 17-22 (1999) BindingDB Entry DOI: 10.7270/Q23B5Z9H
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50069566 (3-(4-Methoxy-phenyl)-1-(6-methyl-benzo[1,2,5]thiad...) Show SMILES CCCOc1ccc2n(Cc3cc4nsnc4cc3C)c(C(O)=O)c(-c3ccc(OC)cc3)c2c1 Show InChI InChI=1S/C27H25N3O4S/c1-4-11-34-20-9-10-24-21(14-20)25(17-5-7-19(33-3)8-6-17)26(27(31)32)30(24)15-18-13-23-22(12-16(18)2)28-35-29-23/h5-10,12-14H,4,11,15H2,1-3H3,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of [125I]-ET-1 binding to rat aorta membrane Endothelin A receptor				Bioorg Med Chem Lett 8: 17-22 (1999) BindingDB Entry DOI: 10.7270/Q23B5Z9H
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50069570 (1-Benzo[1,2,5]thiadiazol-5-ylmethyl-3-(4-methoxy-p...) Show SMILES CCCOc1ccc2n(Cc3ccc4nsnc4c3)c(C(O)=O)c(-c3ccc(OC)cc3)c2c1 Show InChI InChI=1S/C26H23N3O4S/c1-3-12-33-19-9-11-23-20(14-19)24(17-5-7-18(32-2)8-6-17)25(26(30)31)29(23)15-16-4-10-21-22(13-16)28-34-27-21/h4-11,13-14H,3,12,15H2,1-2H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of [125I]-ET-1 binding to rat aorta membrane Endothelin A receptor				Bioorg Med Chem Lett 8: 17-22 (1999) BindingDB Entry DOI: 10.7270/Q23B5Z9H
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50069567 (3-Benzo[1,3]dioxol-5-yl-1-benzo[1,3]dioxol-5-ylmet...) Show SMILES CCCOc1ccc2n(Cc3ccc4OCOc4c3)c(C(O)=O)c(-c3ccc4OCOc4c3)c2c1 Show InChI InChI=1S/C27H23NO7/c1-2-9-31-18-5-6-20-19(12-18)25(17-4-8-22-24(11-17)35-15-33-22)26(27(29)30)28(20)13-16-3-7-21-23(10-16)34-14-32-21/h3-8,10-12H,2,9,13-15H2,1H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of [125I]-ET-1 binding to rat aorta membrane Endothelin A receptor				Bioorg Med Chem Lett 8: 17-22 (1999) BindingDB Entry DOI: 10.7270/Q23B5Z9H
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50069572 (1-Benzo[1,2,5]thiadiazol-5-ylmethyl-4-(4-methoxy-p...) Show SMILES COc1ccc(cc1)-c1c(C(O)=O)c(=O)n(Cc2ccc3nsnc3c2)c2c3ccccc3oc12 Show InChI InChI=1S/C26H17N3O5S/c1-33-16-9-7-15(8-10-16)21-22(26(31)32)25(30)29(13-14-6-11-18-19(12-14)28-35-27-18)23-17-4-2-3-5-20(17)34-24(21)23/h2-12H,13H2,1H3,(H,31,32)	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 Inhibition of [125I]-ET-1 binding to porcine kidney inner medulla membrane Endothelin B receptor				Bioorg Med Chem Lett 8: 17-22 (1999) BindingDB Entry DOI: 10.7270/Q23B5Z9H
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50034267 (3-(benzo[d][1,3]dioxol-5-yl)-5-hydroxy-5-(4-methox...) Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OC)c1)c1ccc2OCOc2c1 |c:14| Show InChI InChI=1S/C28H26O9/c1-31-19-8-6-18(7-9-19)28(30)20(11-16-12-23(32-2)26(34-4)24(13-16)33-3)25(27(29)37-28)17-5-10-21-22(14-17)36-15-35-21/h5-10,12-14,30H,11,15H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents 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 Inhibition of [125I]-ET-1 binding to porcine kidney inner medulla membrane Endothelin B receptor				Bioorg Med Chem Lett 8: 17-22 (1999) BindingDB Entry DOI: 10.7270/Q23B5Z9H
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50069566 (3-(4-Methoxy-phenyl)-1-(6-methyl-benzo[1,2,5]thiad...) Show SMILES CCCOc1ccc2n(Cc3cc4nsnc4cc3C)c(C(O)=O)c(-c3ccc(OC)cc3)c2c1 Show InChI InChI=1S/C27H25N3O4S/c1-4-11-34-20-9-10-24-21(14-20)25(17-5-7-19(33-3)8-6-17)26(27(31)32)30(24)15-18-13-23-22(12-16(18)2)28-35-29-23/h5-10,12-14H,4,11,15H2,1-3H3,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of [125I]-ET-1 binding to porcine kidney inner medulla membrane Endothelin B receptor				Bioorg Med Chem Lett 8: 17-22 (1999) BindingDB Entry DOI: 10.7270/Q23B5Z9H
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50069575 (3-Benzo[1,2,5]thiadiazol-5-yl-5-hydroxy-5-(4-metho...) Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OC)c1)c1ccc2nsnc2c1 |c:14| Show InChI InChI=1S/C27H24N2O7S/c1-32-18-8-6-17(7-9-18)27(31)19(11-15-12-22(33-2)25(35-4)23(13-15)34-3)24(26(30)36-27)16-5-10-20-21(14-16)29-37-28-20/h5-10,12-14,31H,11H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of [125I]-ET-1 binding to porcine kidney inner medulla membrane Endothelin B receptor				Bioorg Med Chem Lett 8: 17-22 (1999) BindingDB Entry DOI: 10.7270/Q23B5Z9H
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50069564 (5-Dimethylamino-naphthalene-1-sulfonic acid benzo[...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1ccc2OCOc2c1 Show InChI InChI=1S/C19H18N2O4S/c1-21(2)16-7-3-6-15-14(16)5-4-8-19(15)26(22,23)20-13-9-10-17-18(11-13)25-12-24-17/h3-11,20H,12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of [125I]-ET-1 binding to rat aorta membrane Endothelin A receptor				Bioorg Med Chem Lett 8: 17-22 (1999) BindingDB Entry DOI: 10.7270/Q23B5Z9H
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50069572 (1-Benzo[1,2,5]thiadiazol-5-ylmethyl-4-(4-methoxy-p...) Show SMILES COc1ccc(cc1)-c1c(C(O)=O)c(=O)n(Cc2ccc3nsnc3c2)c2c3ccccc3oc12 Show InChI InChI=1S/C26H17N3O5S/c1-33-16-9-7-15(8-10-16)21-22(26(31)32)25(30)29(13-14-6-11-18-19(12-14)28-35-27-18)23-17-4-2-3-5-20(17)34-24(21)23/h2-12H,13H2,1H3,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of [125I]-ET-1 binding to rat aorta membrane Endothelin A receptor				Bioorg Med Chem Lett 8: 17-22 (1999) BindingDB Entry DOI: 10.7270/Q23B5Z9H
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50069568 (1-Benzo[1,3]dioxol-5-ylmethyl-4-(4-methoxy-phenyl)...) Show SMILES COc1ccc(cc1)-c1c(C(O)=O)c(=O)n(Cc2ccc3OCOc3c2)c2c3ccccc3oc12 Show InChI InChI=1S/C27H19NO7/c1-32-17-9-7-16(8-10-17)22-23(27(30)31)26(29)28(13-15-6-11-20-21(12-15)34-14-33-20)24-18-4-2-3-5-19(18)35-25(22)24/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	440	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of [125I]-ET-1 binding to porcine kidney inner medulla membrane Endothelin B receptor				Bioorg Med Chem Lett 8: 17-22 (1999) BindingDB Entry DOI: 10.7270/Q23B5Z9H
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50069565 (3-Benzo[1,3]dioxol-5-yl-1-benzo[1,3]dioxol-5-ylmet...) Show SMILES COc1cc2c(c(C(O)=O)n(Cc3ccc4OCOc4c3)c2cc1OC)-c1ccc2OCOc2c1 Show InChI InChI=1S/C26H21NO8/c1-30-20-9-16-17(10-21(20)31-2)27(11-14-3-5-18-22(7-14)34-12-32-18)25(26(28)29)24(16)15-4-6-19-23(8-15)35-13-33-19/h3-10H,11-13H2,1-2H3,(H,28,29)	PDB UniProtKB/SwissProt antibodypedia 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 Inhibition of [125I]-ET-1 binding to porcine kidney inner medulla membrane Endothelin B receptor				Bioorg Med Chem Lett 8: 17-22 (1999) BindingDB Entry DOI: 10.7270/Q23B5Z9H
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50069570 (1-Benzo[1,2,5]thiadiazol-5-ylmethyl-3-(4-methoxy-p...) Show SMILES CCCOc1ccc2n(Cc3ccc4nsnc4c3)c(C(O)=O)c(-c3ccc(OC)cc3)c2c1 Show InChI InChI=1S/C26H23N3O4S/c1-3-12-33-19-9-11-23-20(14-19)24(17-5-7-18(32-2)8-6-17)25(26(30)31)29(23)15-16-4-10-21-22(13-16)28-34-27-21/h4-11,13-14H,3,12,15H2,1-2H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of [125I]-ET-1 binding to porcine kidney inner medulla membrane Endothelin B receptor				Bioorg Med Chem Lett 8: 17-22 (1999) BindingDB Entry DOI: 10.7270/Q23B5Z9H
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50069568 (1-Benzo[1,3]dioxol-5-ylmethyl-4-(4-methoxy-phenyl)...) Show SMILES COc1ccc(cc1)-c1c(C(O)=O)c(=O)n(Cc2ccc3OCOc3c2)c2c3ccccc3oc12 Show InChI InChI=1S/C27H19NO7/c1-32-17-9-7-16(8-10-17)22-23(27(30)31)26(29)28(13-15-6-11-20-21(12-15)34-14-33-20)24-18-4-2-3-5-19(18)35-25(22)24/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	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of [125I]-ET-1 binding to rat aorta membrane Endothelin A receptor				Bioorg Med Chem Lett 8: 17-22 (1999) BindingDB Entry DOI: 10.7270/Q23B5Z9H
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50069571 (3-Benzo[1,3]dioxol-5-yl-1-benzo[1,2,5]thiadiazol-5...) Show SMILES COc1cc2c(c(C(O)=O)n(Cc3ccc4nsnc4c3)c2cc1OC)-c1ccc2OCOc2c1 Show InChI InChI=1S/C25H19N3O6S/c1-31-20-9-15-18(10-21(20)32-2)28(11-13-3-5-16-17(7-13)27-35-26-16)24(25(29)30)23(15)14-4-6-19-22(8-14)34-12-33-19/h3-10H,11-12H2,1-2H3,(H,29,30)	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 Inhibition of [125I]-ET-1 binding to porcine kidney inner medulla membrane Endothelin B receptor				Bioorg Med Chem Lett 8: 17-22 (1999) BindingDB Entry DOI: 10.7270/Q23B5Z9H
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50069573 (3-Benzo[1,3]dioxol-5-yl-1-benzo[1,2,5]thiadiazol-5...) Show SMILES CCCOc1ccc2n(Cc3ccc4nsnc4c3)c(C(O)=O)c(-c3ccc4OCOc4c3)c2c1 Show InChI InChI=1S/C26H21N3O5S/c1-2-9-32-17-5-7-21-18(12-17)24(16-4-8-22-23(11-16)34-14-33-22)25(26(30)31)29(21)13-15-3-6-19-20(10-15)28-35-27-19/h3-8,10-12H,2,9,13-14H2,1H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of [125I]-ET-1 binding to porcine kidney inner medulla membrane Endothelin B receptor				Bioorg Med Chem Lett 8: 17-22 (1999) BindingDB Entry DOI: 10.7270/Q23B5Z9H
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50069567 (3-Benzo[1,3]dioxol-5-yl-1-benzo[1,3]dioxol-5-ylmet...) Show SMILES CCCOc1ccc2n(Cc3ccc4OCOc4c3)c(C(O)=O)c(-c3ccc4OCOc4c3)c2c1 Show InChI InChI=1S/C27H23NO7/c1-2-9-31-18-5-6-20-19(12-18)25(17-4-8-22-24(11-17)35-15-33-22)26(27(29)30)28(20)13-16-3-7-21-23(10-16)34-14-32-21/h3-8,10-12H,2,9,13-15H2,1H3,(H,29,30)	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 Inhibition of [125I]-ET-1 binding to porcine kidney inner medulla membrane Endothelin B receptor				Bioorg Med Chem Lett 8: 17-22 (1999) BindingDB Entry DOI: 10.7270/Q23B5Z9H
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50069574 (3-Benzo[1,3]dioxol-5-yl-1-benzo[1,2,5]oxadiazol-5-...) Show SMILES CCCOc1ccc2n(Cc3ccc4nonc4c3)c(C(O)=O)c(-c3ccc4OCOc4c3)c2c1 Show InChI InChI=1S/C26H21N3O6/c1-2-9-32-17-5-7-21-18(12-17)24(16-4-8-22-23(11-16)34-14-33-22)25(26(30)31)29(21)13-15-3-6-19-20(10-15)28-35-27-19/h3-8,10-12H,2,9,13-14H2,1H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of [125I]-ET-1 binding to rat aorta membrane Endothelin A receptor				Bioorg Med Chem Lett 8: 17-22 (1999) BindingDB Entry DOI: 10.7270/Q23B5Z9H
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50069574 (3-Benzo[1,3]dioxol-5-yl-1-benzo[1,2,5]oxadiazol-5-...) Show SMILES CCCOc1ccc2n(Cc3ccc4nonc4c3)c(C(O)=O)c(-c3ccc4OCOc4c3)c2c1 Show InChI InChI=1S/C26H21N3O6/c1-2-9-32-17-5-7-21-18(12-17)24(16-4-8-22-23(11-16)34-14-33-22)25(26(30)31)29(21)13-15-3-6-19-20(10-15)28-35-27-19/h3-8,10-12H,2,9,13-14H2,1H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of [125I]-ET-1 binding to porcine kidney inner medulla membrane Endothelin B receptor				Bioorg Med Chem Lett 8: 17-22 (1999) BindingDB Entry DOI: 10.7270/Q23B5Z9H
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50069569 (5-Dimethylamino-naphthalene-1-sulfonic acid benzo[...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1ccc2nsnc2c1 Show InChI InChI=1S/C18H16N4O2S2/c1-22(2)17-7-3-6-14-13(17)5-4-8-18(14)26(23,24)21-12-9-10-15-16(11-12)20-25-19-15/h3-11,21H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	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 Inhibition of [125I]-ET-1 binding to porcine kidney inner medulla membrane Endothelin B receptor				Bioorg Med Chem Lett 8: 17-22 (1999) BindingDB Entry DOI: 10.7270/Q23B5Z9H
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50069564 (5-Dimethylamino-naphthalene-1-sulfonic acid benzo[...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1ccc2OCOc2c1 Show InChI InChI=1S/C19H18N2O4S/c1-21(2)16-7-3-6-15-14(16)5-4-8-19(15)26(22,23)20-13-9-10-17-18(11-13)25-12-24-17/h3-11,20H,12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 Inhibition of [125I]-ET-1 binding to porcine kidney inner medulla membrane Endothelin B receptor				Bioorg Med Chem Lett 8: 17-22 (1999) BindingDB Entry DOI: 10.7270/Q23B5Z9H
					More data for this Ligand-Target Pair