Compile Data Set for Download or QSAR

Found 52 hits Enz. Inhib. hit(s) with all data for entry = 50008200   

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))	BDBM50071445 (CHEMBL310039 | N-[(R)-1-[(S)-2-Ethenesulfonylamino...) Show SMILES CN([C@H](Cc1ccc(cc1)-c1ccno1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NS(=O)(=O)C=C)C(=O)c1cc(C)cc(C)c1 Show InChI InChI=1S/C35H35N5O6S/c1-5-47(44,45)39-33(41)30(20-27-21-36-29-9-7-6-8-28(27)29)38-34(42)31(40(4)35(43)26-17-22(2)16-23(3)18-26)19-24-10-12-25(13-11-24)32-14-15-37-46-32/h5-18,21,30-31,36H,1,19-20H2,2-4H3,(H,38,42)(H,39,41)/t30-,31+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takarazuka Research Institute Curated by ChEMBL					Assay Description Binding affinity to Endothelin B receptor				Bioorg Med Chem Lett 8: 2241-6 (1999) BindingDB Entry DOI: 10.7270/Q2BC3XQ7
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50071438 ((S)-2-[(R)-2-[(3,5-Dimethyl-benzoyl)-methyl-amino]...) Show SMILES CN([C@H](Cc1ccc(cc1)-c1ccno1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(=O)c1cc(C)cc(C)c1 Show InChI InChI=1S/C33H32N4O5/c1-20-14-21(2)16-24(15-20)32(39)37(3)29(17-22-8-10-23(11-9-22)30-12-13-35-42-30)31(38)36-28(33(40)41)18-25-19-34-27-7-5-4-6-26(25)27/h4-16,19,28-29,34H,17-18H2,1-3H3,(H,36,38)(H,40,41)/t28-,29+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takarazuka Research Institute Curated by ChEMBL					Assay Description Binding affinity to Endothelin B receptor				Bioorg Med Chem Lett 8: 2241-6 (1999) BindingDB Entry DOI: 10.7270/Q2BC3XQ7
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50071437 (CHEMBL308102 | N-[(R)-1-[(S)-1-(1H-Indol-3-ylmethy...) Show SMILES CN([C@H](Cc1ccc(cc1)-c1ccno1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NS(=O)(=O)CC=C)C(=O)c1cc(C)cc(C)c1 Show InChI InChI=1S/C36H37N5O6S/c1-5-16-48(45,46)40-34(42)31(21-28-22-37-30-9-7-6-8-29(28)30)39-35(43)32(41(4)36(44)27-18-23(2)17-24(3)19-27)20-25-10-12-26(13-11-25)33-14-15-38-47-33/h5-15,17-19,22,31-32,37H,1,16,20-21H2,2-4H3,(H,39,43)(H,40,42)/t31-,32+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takarazuka Research Institute Curated by ChEMBL					Assay Description Binding affinity to Endothelin B receptor				Bioorg Med Chem Lett 8: 2241-6 (1999) BindingDB Entry DOI: 10.7270/Q2BC3XQ7
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50071435 ((S)-2-[(R)-2-[(3,5-Dimethyl-benzoyl)-methyl-amino]...) Show SMILES CN([C@H](Cc1ccc(cc1)-c1ccsc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(=O)c1cc(C)cc(C)c1 Show InChI InChI=1S/C34H33N3O4S/c1-21-14-22(2)16-26(15-21)33(39)37(3)31(17-23-8-10-24(11-9-23)25-12-13-42-20-25)32(38)36-30(34(40)41)18-27-19-35-29-7-5-4-6-28(27)29/h4-16,19-20,30-31,35H,17-18H2,1-3H3,(H,36,38)(H,40,41)/t30-,31+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takarazuka Research Institute Curated by ChEMBL					Assay Description Binding affinity to Endothelin B receptor				Bioorg Med Chem Lett 8: 2241-6 (1999) BindingDB Entry DOI: 10.7270/Q2BC3XQ7
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50071423 (CHEMBL72924 | N-[(R)-1-[(S)-2-(2-Ethoxy-ethanesulf...) Show SMILES CCOCCS(=O)(=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(cc1)-c1ccno1)N(C)C(=O)c1cc(C)cc(C)c1 Show InChI InChI=1S/C37H41N5O7S/c1-5-48-16-17-50(46,47)41-35(43)32(22-29-23-38-31-9-7-6-8-30(29)31)40-36(44)33(42(4)37(45)28-19-24(2)18-25(3)20-28)21-26-10-12-27(13-11-26)34-14-15-39-49-34/h6-15,18-20,23,32-33,38H,5,16-17,21-22H2,1-4H3,(H,40,44)(H,41,43)/t32-,33+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takarazuka Research Institute Curated by ChEMBL					Assay Description Binding affinity to Endothelin B receptor				Bioorg Med Chem Lett 8: 2241-6 (1999) BindingDB Entry DOI: 10.7270/Q2BC3XQ7
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50071420 (CHEMBL72348 | N-[(R)-1-[(S)-1-(1H-Indol-3-ylmethyl...) Show SMILES CCCS(=O)(=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(cc1)-c1ccno1)N(C)C(=O)c1cc(C)cc(C)c1 Show InChI InChI=1S/C36H39N5O6S/c1-5-16-48(45,46)40-34(42)31(21-28-22-37-30-9-7-6-8-29(28)30)39-35(43)32(41(4)36(44)27-18-23(2)17-24(3)19-27)20-25-10-12-26(13-11-25)33-14-15-38-47-33/h6-15,17-19,22,31-32,37H,5,16,20-21H2,1-4H3,(H,39,43)(H,40,42)/t31-,32+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takarazuka Research Institute Curated by ChEMBL					Assay Description Binding affinity to Endothelin B receptor				Bioorg Med Chem Lett 8: 2241-6 (1999) BindingDB Entry DOI: 10.7270/Q2BC3XQ7
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50071436 (CHEMBL306950 | N-[(R)-1-[(S)-2-(Butane-1-sulfonyla...) Show SMILES CCCCS(=O)(=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(cc1)-c1ccno1)N(C)C(=O)c1cc(C)cc(C)c1 Show InChI InChI=1S/C37H41N5O6S/c1-5-6-17-49(46,47)41-35(43)32(22-29-23-38-31-10-8-7-9-30(29)31)40-36(44)33(42(4)37(45)28-19-24(2)18-25(3)20-28)21-26-11-13-27(14-12-26)34-15-16-39-48-34/h7-16,18-20,23,32-33,38H,5-6,17,21-22H2,1-4H3,(H,40,44)(H,41,43)/t32-,33+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takarazuka Research Institute Curated by ChEMBL					Assay Description Binding affinity to Endothelin B receptor				Bioorg Med Chem Lett 8: 2241-6 (1999) BindingDB Entry DOI: 10.7270/Q2BC3XQ7
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50071421 (CHEMBL310920 | N-[(R)-1-[(S)-2-Benzenesulfonylamin...) Show SMILES CN([C@H](Cc1ccc(cc1)-c1ccno1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NS(=O)(=O)c1ccccc1)C(=O)c1cc(C)cc(C)c1 Show InChI InChI=1S/C39H37N5O6S/c1-25-19-26(2)21-29(20-25)39(47)44(3)35(22-27-13-15-28(16-14-27)36-17-18-41-50-36)38(46)42-34(23-30-24-40-33-12-8-7-11-32(30)33)37(45)43-51(48,49)31-9-5-4-6-10-31/h4-21,24,34-35,40H,22-23H2,1-3H3,(H,42,46)(H,43,45)/t34-,35+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takarazuka Research Institute Curated by ChEMBL					Assay Description Binding affinity to Endothelin B receptor				Bioorg Med Chem Lett 8: 2241-6 (1999) BindingDB Entry DOI: 10.7270/Q2BC3XQ7
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50071439 (CHEMBL73000 | N-[(R)-1-[(S)-1-(1H-Indol-3-ylmethyl...) Show SMILES CC(C)S(=O)(=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(cc1)-c1ccno1)N(C)C(=O)c1cc(C)cc(C)c1 Show InChI InChI=1S/C36H39N5O6S/c1-22(2)48(45,46)40-34(42)31(20-28-21-37-30-9-7-6-8-29(28)30)39-35(43)32(41(5)36(44)27-17-23(3)16-24(4)18-27)19-25-10-12-26(13-11-25)33-14-15-38-47-33/h6-18,21-22,31-32,37H,19-20H2,1-5H3,(H,39,43)(H,40,42)/t31-,32+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takarazuka Research Institute Curated by ChEMBL					Assay Description Binding affinity to Endothelin B receptor				Bioorg Med Chem Lett 8: 2241-6 (1999) BindingDB Entry DOI: 10.7270/Q2BC3XQ7
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50071430 (CHEMBL73373 | N-[(R)-1-[(S)-2-Ethanesulfonylamino-...) Show SMILES CCS(=O)(=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(cc1)-c1ccno1)N(C)C(=O)c1cc(C)cc(C)c1 Show InChI InChI=1S/C35H37N5O6S/c1-5-47(44,45)39-33(41)30(20-27-21-36-29-9-7-6-8-28(27)29)38-34(42)31(40(4)35(43)26-17-22(2)16-23(3)18-26)19-24-10-12-25(13-11-24)32-14-15-37-46-32/h6-18,21,30-31,36H,5,19-20H2,1-4H3,(H,38,42)(H,39,41)/t30-,31+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takarazuka Research Institute Curated by ChEMBL					Assay Description Binding affinity to Endothelin B receptor				Bioorg Med Chem Lett 8: 2241-6 (1999) BindingDB Entry DOI: 10.7270/Q2BC3XQ7
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50071428 (CHEMBL307471 | N-[(R)-1-{(S)-1-(1H-Indol-3-ylmethy...) Show SMILES C\C=C\S(=O)(=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(cc1)-c1ccno1)N(C)C(=O)c1cc(C)cc(C)c1 Show InChI InChI=1S/C36H37N5O6S/c1-5-16-48(45,46)40-34(42)31(21-28-22-37-30-9-7-6-8-29(28)30)39-35(43)32(41(4)36(44)27-18-23(2)17-24(3)19-27)20-25-10-12-26(13-11-25)33-14-15-38-47-33/h5-19,22,31-32,37H,20-21H2,1-4H3,(H,39,43)(H,40,42)/b16-5+/t31-,32+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takarazuka Research Institute Curated by ChEMBL					Assay Description Binding affinity to Endothelin B receptor				Bioorg Med Chem Lett 8: 2241-6 (1999) BindingDB Entry DOI: 10.7270/Q2BC3XQ7
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50071444 (CHEMBL307045 | N-[(R)-1-[1-(Butane-1-sulfonylamino...) Show SMILES CCCCS(=O)(=O)NC(=O)C(CCSC)NC(=O)[C@@H](Cc1ccc(cc1)-c1ccno1)N(C)C(=O)c1cc(C)cc(C)c1 Show InChI InChI=1S/C31H40N4O6S2/c1-6-7-16-43(39,40)34-29(36)26(13-15-42-5)33-30(37)27(35(4)31(38)25-18-21(2)17-22(3)19-25)20-23-8-10-24(11-9-23)28-12-14-32-41-28/h8-12,14,17-19,26-27H,6-7,13,15-16,20H2,1-5H3,(H,33,37)(H,34,36)/t26?,27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takarazuka Research Institute Curated by ChEMBL					Assay Description Binding affinity to Endothelin B receptor				Bioorg Med Chem Lett 8: 2241-6 (1999) BindingDB Entry DOI: 10.7270/Q2BC3XQ7
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50071443 (CHEMBL308269 | N-[(R)-1-[(S)-1-(1H-Indol-3-ylmethy...) Show SMILES CN([C@H](Cc1ccc(cc1)-c1ccno1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NS(=O)(=O)Cc1ccccc1)C(=O)c1cc(C)cc(C)c1 Show InChI InChI=1S/C40H39N5O6S/c1-26-19-27(2)21-31(20-26)40(48)45(3)36(22-28-13-15-30(16-14-28)37-17-18-42-51-37)39(47)43-35(23-32-24-41-34-12-8-7-11-33(32)34)38(46)44-52(49,50)25-29-9-5-4-6-10-29/h4-21,24,35-36,41H,22-23,25H2,1-3H3,(H,43,47)(H,44,46)/t35-,36+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takarazuka Research Institute Curated by ChEMBL					Assay Description Binding affinity to Endothelin B receptor				Bioorg Med Chem Lett 8: 2241-6 (1999) BindingDB Entry DOI: 10.7270/Q2BC3XQ7
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50071440 (CHEMBL307384 | N-[(R)-1-[2-(Butane-1-sulfonylamino...) Show SMILES CCCCS(=O)(=O)NC(=O)C(Cc1ccc2ccccc2c1)NC(=O)[C@@H](Cc1ccc(cc1)-c1ccno1)N(C)C(=O)c1cc(C)cc(C)c1 Show InChI InChI=1S/C39H42N4O6S/c1-5-6-19-50(47,48)42-37(44)34(24-29-13-14-30-9-7-8-10-32(30)23-29)41-38(45)35(43(4)39(46)33-21-26(2)20-27(3)22-33)25-28-11-15-31(16-12-28)36-17-18-40-49-36/h7-18,20-23,34-35H,5-6,19,24-25H2,1-4H3,(H,41,45)(H,42,44)/t34?,35-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takarazuka Research Institute Curated by ChEMBL					Assay Description Binding affinity to Endothelin B receptor				Bioorg Med Chem Lett 8: 2241-6 (1999) BindingDB Entry DOI: 10.7270/Q2BC3XQ7
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50071432 ((S)-2-[(R)-2-[(3,5-Dimethyl-benzoyl)-methyl-amino]...) Show SMILES CN([C@H](Cc1ccc(cc1)-c1cccs1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(=O)c1cc(C)cc(C)c1 Show InChI InChI=1S/C34H33N3O4S/c1-21-15-22(2)17-25(16-21)33(39)37(3)30(18-23-10-12-24(13-11-23)31-9-6-14-42-31)32(38)36-29(34(40)41)19-26-20-35-28-8-5-4-7-27(26)28/h4-17,20,29-30,35H,18-19H2,1-3H3,(H,36,38)(H,40,41)/t29-,30+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takarazuka Research Institute Curated by ChEMBL					Assay Description Binding affinity to Endothelin B receptor				Bioorg Med Chem Lett 8: 2241-6 (1999) BindingDB Entry DOI: 10.7270/Q2BC3XQ7
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50071426 (CHEMBL73835 | N-[(R)-1-[1-(Butane-1-sulfonylaminoc...) Show SMILES CCCCS(=O)(=O)NC(=O)C(CC)NC(=O)[C@@H](Cc1ccc(cc1)-c1ccno1)N(C)C(=O)c1cc(C)cc(C)c1 Show InChI InChI=1S/C30H38N4O6S/c1-6-8-15-41(38,39)33-28(35)25(7-2)32-29(36)26(34(5)30(37)24-17-20(3)16-21(4)18-24)19-22-9-11-23(12-10-22)27-13-14-31-40-27/h9-14,16-18,25-26H,6-8,15,19H2,1-5H3,(H,32,36)(H,33,35)/t25?,26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takarazuka Research Institute Curated by ChEMBL					Assay Description Binding affinity to Endothelin B receptor				Bioorg Med Chem Lett 8: 2241-6 (1999) BindingDB Entry DOI: 10.7270/Q2BC3XQ7
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50071441 ((S)-2-[(R)-2-[(3,5-Dimethyl-benzoyl)-methyl-amino]...) Show SMILES CN([C@H](Cc1ccc(cc1)-c1ccco1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(=O)c1cc(C)cc(C)c1 Show InChI InChI=1S/C34H33N3O5/c1-21-15-22(2)17-25(16-21)33(39)37(3)30(18-23-10-12-24(13-11-23)31-9-6-14-42-31)32(38)36-29(34(40)41)19-26-20-35-28-8-5-4-7-27(26)28/h4-17,20,29-30,35H,18-19H2,1-3H3,(H,36,38)(H,40,41)/t29-,30+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takarazuka Research Institute Curated by ChEMBL					Assay Description Binding affinity to Endothelin B receptor				Bioorg Med Chem Lett 8: 2241-6 (1999) BindingDB Entry DOI: 10.7270/Q2BC3XQ7
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50071427 ((S)-2-[(R)-2-[(3,5-Dimethyl-benzoyl)-methyl-amino]...) Show SMILES CN([C@H](Cc1ccc(cc1)-c1ccon1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(=O)c1cc(C)cc(C)c1 Show InChI InChI=1S/C33H32N4O5/c1-20-14-21(2)16-24(15-20)32(39)37(3)30(17-22-8-10-23(11-9-22)27-12-13-42-36-27)31(38)35-29(33(40)41)18-25-19-34-28-7-5-4-6-26(25)28/h4-16,19,29-30,34H,17-18H2,1-3H3,(H,35,38)(H,40,41)/t29-,30+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takarazuka Research Institute Curated by ChEMBL					Assay Description Binding affinity to Endothelin B receptor				Bioorg Med Chem Lett 8: 2241-6 (1999) BindingDB Entry DOI: 10.7270/Q2BC3XQ7
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50071437 (CHEMBL308102 | N-[(R)-1-[(S)-1-(1H-Indol-3-ylmethy...) Show SMILES CN([C@H](Cc1ccc(cc1)-c1ccno1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NS(=O)(=O)CC=C)C(=O)c1cc(C)cc(C)c1 Show InChI InChI=1S/C36H37N5O6S/c1-5-16-48(45,46)40-34(42)31(21-28-22-37-30-9-7-6-8-29(28)30)39-35(43)32(41(4)36(44)27-18-23(2)17-24(3)19-27)20-25-10-12-26(13-11-25)33-14-15-38-47-33/h5-15,17-19,22,31-32,37H,1,16,20-21H2,2-4H3,(H,39,43)(H,40,42)/t31-,32+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takarazuka Research Institute Curated by ChEMBL					Assay Description Binding affinity to Endothelin A receptor				Bioorg Med Chem Lett 8: 2241-6 (1999) BindingDB Entry DOI: 10.7270/Q2BC3XQ7
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50071433 ((S)-2-{(R)-3-Biphenyl-4-yl-2-[(3,5-dimethyl-benzoy...) Show SMILES CN([C@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(=O)c1cc(C)cc(C)c1 Show InChI InChI=1S/C36H35N3O4/c1-23-17-24(2)19-28(18-23)35(41)39(3)33(20-25-13-15-27(16-14-25)26-9-5-4-6-10-26)34(40)38-32(36(42)43)21-29-22-37-31-12-8-7-11-30(29)31/h4-19,22,32-33,37H,20-21H2,1-3H3,(H,38,40)(H,42,43)/t32-,33+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takarazuka Research Institute Curated by ChEMBL					Assay Description Binding affinity to Endothelin B receptor				Bioorg Med Chem Lett 8: 2241-6 (1999) BindingDB Entry DOI: 10.7270/Q2BC3XQ7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Endothelin receptor type B (Homo sapiens (Human))	BDBM50071425 (CHEMBL311854 | N-[(R)-1-[(S)-1-(Butane-1-sulfonyla...) Show SMILES CCCCS(=O)(=O)NC(=O)[C@@H](NC(=O)[C@@H](Cc1ccc(cc1)-c1ccno1)N(C)C(=O)c1cc(C)cc(C)c1)C(C)C Show InChI InChI=1S/C31H40N4O6S/c1-7-8-15-42(39,40)34-30(37)28(20(2)3)33-29(36)26(35(6)31(38)25-17-21(4)16-22(5)18-25)19-23-9-11-24(12-10-23)27-13-14-32-41-27/h9-14,16-18,20,26,28H,7-8,15,19H2,1-6H3,(H,33,36)(H,34,37)/t26-,28+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takarazuka Research Institute Curated by ChEMBL					Assay Description Binding affinity to Endothelin B receptor				Bioorg Med Chem Lett 8: 2241-6 (1999) BindingDB Entry DOI: 10.7270/Q2BC3XQ7
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50071434 (CHEMBL72217 | N-[(R)-1-[1-(Butane-1-sulfonylaminoc...) Show SMILES CCCCS(=O)(=O)NC(=O)C(CC(C)C)NC(=O)[C@@H](Cc1ccc(cc1)-c1ccno1)N(C)C(=O)c1cc(C)cc(C)c1 Show InChI InChI=1S/C32H42N4O6S/c1-7-8-15-43(40,41)35-30(37)27(16-21(2)3)34-31(38)28(36(6)32(39)26-18-22(4)17-23(5)19-26)20-24-9-11-25(12-10-24)29-13-14-33-42-29/h9-14,17-19,21,27-28H,7-8,15-16,20H2,1-6H3,(H,34,38)(H,35,37)/t27?,28-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takarazuka Research Institute Curated by ChEMBL					Assay Description Binding affinity to Endothelin B receptor				Bioorg Med Chem Lett 8: 2241-6 (1999) BindingDB Entry DOI: 10.7270/Q2BC3XQ7
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50071425 (CHEMBL311854 | N-[(R)-1-[(S)-1-(Butane-1-sulfonyla...) Show SMILES CCCCS(=O)(=O)NC(=O)[C@@H](NC(=O)[C@@H](Cc1ccc(cc1)-c1ccno1)N(C)C(=O)c1cc(C)cc(C)c1)C(C)C Show InChI InChI=1S/C31H40N4O6S/c1-7-8-15-42(39,40)34-30(37)28(20(2)3)33-29(36)26(35(6)31(38)25-17-21(4)16-22(5)18-25)19-23-9-11-24(12-10-23)27-13-14-32-41-27/h9-14,16-18,20,26,28H,7-8,15,19H2,1-6H3,(H,33,36)(H,34,37)/t26-,28+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takarazuka Research Institute Curated by ChEMBL					Assay Description Binding affinity to Endothelin A receptor				Bioorg Med Chem Lett 8: 2241-6 (1999) BindingDB Entry DOI: 10.7270/Q2BC3XQ7
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50071445 (CHEMBL310039 | N-[(R)-1-[(S)-2-Ethenesulfonylamino...) Show SMILES CN([C@H](Cc1ccc(cc1)-c1ccno1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NS(=O)(=O)C=C)C(=O)c1cc(C)cc(C)c1 Show InChI InChI=1S/C35H35N5O6S/c1-5-47(44,45)39-33(41)30(20-27-21-36-29-9-7-6-8-28(27)29)38-34(42)31(40(4)35(43)26-17-22(2)16-23(3)18-26)19-24-10-12-25(13-11-24)32-14-15-37-46-32/h5-18,21,30-31,36H,1,19-20H2,2-4H3,(H,38,42)(H,39,41)/t30-,31+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takarazuka Research Institute Curated by ChEMBL					Assay Description Binding affinity to Endothelin A receptor				Bioorg Med Chem Lett 8: 2241-6 (1999) BindingDB Entry DOI: 10.7270/Q2BC3XQ7
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50071420 (CHEMBL72348 | N-[(R)-1-[(S)-1-(1H-Indol-3-ylmethyl...) Show SMILES CCCS(=O)(=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(cc1)-c1ccno1)N(C)C(=O)c1cc(C)cc(C)c1 Show InChI InChI=1S/C36H39N5O6S/c1-5-16-48(45,46)40-34(42)31(21-28-22-37-30-9-7-6-8-29(28)30)39-35(43)32(41(4)36(44)27-18-23(2)17-24(3)19-27)20-25-10-12-26(13-11-25)33-14-15-38-47-33/h6-15,17-19,22,31-32,37H,5,16,20-21H2,1-4H3,(H,39,43)(H,40,42)/t31-,32+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takarazuka Research Institute Curated by ChEMBL					Assay Description Binding affinity to Endothelin A receptor				Bioorg Med Chem Lett 8: 2241-6 (1999) BindingDB Entry DOI: 10.7270/Q2BC3XQ7
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50071421 (CHEMBL310920 | N-[(R)-1-[(S)-2-Benzenesulfonylamin...) Show SMILES CN([C@H](Cc1ccc(cc1)-c1ccno1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NS(=O)(=O)c1ccccc1)C(=O)c1cc(C)cc(C)c1 Show InChI InChI=1S/C39H37N5O6S/c1-25-19-26(2)21-29(20-25)39(47)44(3)35(22-27-13-15-28(16-14-27)36-17-18-41-50-36)38(46)42-34(23-30-24-40-33-12-8-7-11-32(30)33)37(45)43-51(48,49)31-9-5-4-6-10-31/h4-21,24,34-35,40H,22-23H2,1-3H3,(H,42,46)(H,43,45)/t34-,35+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takarazuka Research Institute Curated by ChEMBL					Assay Description Binding affinity to Endothelin A receptor				Bioorg Med Chem Lett 8: 2241-6 (1999) BindingDB Entry DOI: 10.7270/Q2BC3XQ7
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50071436 (CHEMBL306950 | N-[(R)-1-[(S)-2-(Butane-1-sulfonyla...) Show SMILES CCCCS(=O)(=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(cc1)-c1ccno1)N(C)C(=O)c1cc(C)cc(C)c1 Show InChI InChI=1S/C37H41N5O6S/c1-5-6-17-49(46,47)41-35(43)32(22-29-23-38-31-10-8-7-9-30(29)31)40-36(44)33(42(4)37(45)28-19-24(2)18-25(3)20-28)21-26-11-13-27(14-12-26)34-15-16-39-48-34/h7-16,18-20,23,32-33,38H,5-6,17,21-22H2,1-4H3,(H,40,44)(H,41,43)/t32-,33+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takarazuka Research Institute Curated by ChEMBL					Assay Description Binding affinity to Endothelin A receptor				Bioorg Med Chem Lett 8: 2241-6 (1999) BindingDB Entry DOI: 10.7270/Q2BC3XQ7
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50071440 (CHEMBL307384 | N-[(R)-1-[2-(Butane-1-sulfonylamino...) Show SMILES CCCCS(=O)(=O)NC(=O)C(Cc1ccc2ccccc2c1)NC(=O)[C@@H](Cc1ccc(cc1)-c1ccno1)N(C)C(=O)c1cc(C)cc(C)c1 Show InChI InChI=1S/C39H42N4O6S/c1-5-6-19-50(47,48)42-37(44)34(24-29-13-14-30-9-7-8-10-32(30)23-29)41-38(45)35(43(4)39(46)33-21-26(2)20-27(3)22-33)25-28-11-15-31(16-12-28)36-17-18-40-49-36/h7-18,20-23,34-35H,5-6,19,24-25H2,1-4H3,(H,41,45)(H,42,44)/t34?,35-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takarazuka Research Institute Curated by ChEMBL					Assay Description Binding affinity to Endothelin A receptor				Bioorg Med Chem Lett 8: 2241-6 (1999) BindingDB Entry DOI: 10.7270/Q2BC3XQ7
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50071442 (CHEMBL72358 | N-[(R)-1-[2-(Butane-1-sulfonylamino)...) Show SMILES CCCCS(=O)(=O)NC(=O)C(NC(=O)[C@@H](Cc1ccc(cc1)-c1ccno1)N(C)C(=O)c1cc(C)cc(C)c1)C1CCCCC1 Show InChI InChI=1S/C34H44N4O6S/c1-5-6-18-45(42,43)37-33(40)31(27-10-8-7-9-11-27)36-32(39)29(38(4)34(41)28-20-23(2)19-24(3)21-28)22-25-12-14-26(15-13-25)30-16-17-35-44-30/h12-17,19-21,27,29,31H,5-11,18,22H2,1-4H3,(H,36,39)(H,37,40)/t29-,31?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takarazuka Research Institute Curated by ChEMBL					Assay Description Binding affinity to Endothelin B receptor				Bioorg Med Chem Lett 8: 2241-6 (1999) BindingDB Entry DOI: 10.7270/Q2BC3XQ7
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50071424 (CHEMBL263301 | N-[(R)-1-[1-(Butane-1-sulfonylamino...) Show SMILES CCCCS(=O)(=O)NC(=O)C(NC(=O)[C@@H](Cc1ccc(cc1)-c1ccno1)N(C)C(=O)c1cc(C)cc(C)c1)C(C)O Show InChI InChI=1S/C30H38N4O7S/c1-6-7-14-42(39,40)33-29(37)27(21(4)35)32-28(36)25(34(5)30(38)24-16-19(2)15-20(3)17-24)18-22-8-10-23(11-9-22)26-12-13-31-41-26/h8-13,15-17,21,25,27,35H,6-7,14,18H2,1-5H3,(H,32,36)(H,33,37)/t21?,25-,27?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takarazuka Research Institute Curated by ChEMBL					Assay Description Binding affinity to Endothelin B receptor				Bioorg Med Chem Lett 8: 2241-6 (1999) BindingDB Entry DOI: 10.7270/Q2BC3XQ7
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50071422 (CHEMBL73042 | N-[(R)-1-[1-(Butane-1-sulfonylaminoc...) Show SMILES CCCCS(=O)(=O)NC(=O)C(NC(=O)[C@@H](Cc1ccc(cc1)-c1ccno1)N(C)C(=O)c1cc(C)cc(C)c1)C(C)CC Show InChI InChI=1S/C32H42N4O6S/c1-7-9-16-43(40,41)35-31(38)29(23(5)8-2)34-30(37)27(36(6)32(39)26-18-21(3)17-22(4)19-26)20-24-10-12-25(13-11-24)28-14-15-33-42-28/h10-15,17-19,23,27,29H,7-9,16,20H2,1-6H3,(H,34,37)(H,35,38)/t23?,27-,29?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takarazuka Research Institute Curated by ChEMBL					Assay Description Binding affinity to Endothelin B receptor				Bioorg Med Chem Lett 8: 2241-6 (1999) BindingDB Entry DOI: 10.7270/Q2BC3XQ7
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50071428 (CHEMBL307471 | N-[(R)-1-{(S)-1-(1H-Indol-3-ylmethy...) Show SMILES C\C=C\S(=O)(=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(cc1)-c1ccno1)N(C)C(=O)c1cc(C)cc(C)c1 Show InChI InChI=1S/C36H37N5O6S/c1-5-16-48(45,46)40-34(42)31(21-28-22-37-30-9-7-6-8-29(28)30)39-35(43)32(41(4)36(44)27-18-23(2)17-24(3)19-27)20-25-10-12-26(13-11-25)33-14-15-38-47-33/h5-19,22,31-32,37H,20-21H2,1-4H3,(H,39,43)(H,40,42)/b16-5+/t31-,32+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takarazuka Research Institute Curated by ChEMBL					Assay Description Binding affinity to Endothelin A receptor				Bioorg Med Chem Lett 8: 2241-6 (1999) BindingDB Entry DOI: 10.7270/Q2BC3XQ7
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50071429 ((S)-2-[(R)-2-[(3,5-Dimethyl-benzoyl)-methyl-amino]...) Show SMILES CN([C@H](Cc1ccc(cc1)-c1ccccn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(=O)c1cc(C)cc(C)c1 Show InChI InChI=1S/C35H34N4O4/c1-22-16-23(2)18-26(17-22)34(41)39(3)32(19-24-11-13-25(14-12-24)29-9-6-7-15-36-29)33(40)38-31(35(42)43)20-27-21-37-30-10-5-4-8-28(27)30/h4-18,21,31-32,37H,19-20H2,1-3H3,(H,38,40)(H,42,43)/t31-,32+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takarazuka Research Institute Curated by ChEMBL					Assay Description Binding affinity to Endothelin B receptor				Bioorg Med Chem Lett 8: 2241-6 (1999) BindingDB Entry DOI: 10.7270/Q2BC3XQ7
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50071444 (CHEMBL307045 | N-[(R)-1-[1-(Butane-1-sulfonylamino...) Show SMILES CCCCS(=O)(=O)NC(=O)C(CCSC)NC(=O)[C@@H](Cc1ccc(cc1)-c1ccno1)N(C)C(=O)c1cc(C)cc(C)c1 Show InChI InChI=1S/C31H40N4O6S2/c1-6-7-16-43(39,40)34-29(36)26(13-15-42-5)33-30(37)27(35(4)31(38)25-18-21(2)17-22(3)19-25)20-23-8-10-24(11-9-23)28-12-14-32-41-28/h8-12,14,17-19,26-27H,6-7,13,15-16,20H2,1-5H3,(H,33,37)(H,34,36)/t26?,27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takarazuka Research Institute Curated by ChEMBL					Assay Description Binding affinity to Endothelin A receptor				Bioorg Med Chem Lett 8: 2241-6 (1999) BindingDB Entry DOI: 10.7270/Q2BC3XQ7
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50071430 (CHEMBL73373 | N-[(R)-1-[(S)-2-Ethanesulfonylamino-...) Show SMILES CCS(=O)(=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(cc1)-c1ccno1)N(C)C(=O)c1cc(C)cc(C)c1 Show InChI InChI=1S/C35H37N5O6S/c1-5-47(44,45)39-33(41)30(20-27-21-36-29-9-7-6-8-28(27)29)38-34(42)31(40(4)35(43)26-17-22(2)16-23(3)18-26)19-24-10-12-25(13-11-24)32-14-15-37-46-32/h6-18,21,30-31,36H,5,19-20H2,1-4H3,(H,38,42)(H,39,41)/t30-,31+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takarazuka Research Institute Curated by ChEMBL					Assay Description Binding affinity to Endothelin A receptor				Bioorg Med Chem Lett 8: 2241-6 (1999) BindingDB Entry DOI: 10.7270/Q2BC3XQ7
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50071443 (CHEMBL308269 | N-[(R)-1-[(S)-1-(1H-Indol-3-ylmethy...) Show SMILES CN([C@H](Cc1ccc(cc1)-c1ccno1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NS(=O)(=O)Cc1ccccc1)C(=O)c1cc(C)cc(C)c1 Show InChI InChI=1S/C40H39N5O6S/c1-26-19-27(2)21-31(20-26)40(48)45(3)36(22-28-13-15-30(16-14-28)37-17-18-42-51-37)39(47)43-35(23-32-24-41-34-12-8-7-11-33(32)34)38(46)44-52(49,50)25-29-9-5-4-6-10-29/h4-21,24,35-36,41H,22-23,25H2,1-3H3,(H,43,47)(H,44,46)/t35-,36+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takarazuka Research Institute Curated by ChEMBL					Assay Description Binding affinity to Endothelin A receptor				Bioorg Med Chem Lett 8: 2241-6 (1999) BindingDB Entry DOI: 10.7270/Q2BC3XQ7
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50071426 (CHEMBL73835 | N-[(R)-1-[1-(Butane-1-sulfonylaminoc...) Show SMILES CCCCS(=O)(=O)NC(=O)C(CC)NC(=O)[C@@H](Cc1ccc(cc1)-c1ccno1)N(C)C(=O)c1cc(C)cc(C)c1 Show InChI InChI=1S/C30H38N4O6S/c1-6-8-15-41(38,39)33-28(35)25(7-2)32-29(36)26(34(5)30(37)24-17-20(3)16-21(4)18-24)19-22-9-11-23(12-10-22)27-13-14-31-40-27/h9-14,16-18,25-26H,6-8,15,19H2,1-5H3,(H,32,36)(H,33,35)/t25?,26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takarazuka Research Institute Curated by ChEMBL					Assay Description Binding affinity to Endothelin A receptor				Bioorg Med Chem Lett 8: 2241-6 (1999) BindingDB Entry DOI: 10.7270/Q2BC3XQ7
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50071423 (CHEMBL72924 | N-[(R)-1-[(S)-2-(2-Ethoxy-ethanesulf...) Show SMILES CCOCCS(=O)(=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(cc1)-c1ccno1)N(C)C(=O)c1cc(C)cc(C)c1 Show InChI InChI=1S/C37H41N5O7S/c1-5-48-16-17-50(46,47)41-35(43)32(22-29-23-38-31-9-7-6-8-30(29)31)40-36(44)33(42(4)37(45)28-19-24(2)18-25(3)20-28)21-26-10-12-27(13-11-26)34-14-15-39-49-34/h6-15,18-20,23,32-33,38H,5,16-17,21-22H2,1-4H3,(H,40,44)(H,41,43)/t32-,33+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takarazuka Research Institute Curated by ChEMBL					Assay Description Binding affinity to Endothelin A receptor				Bioorg Med Chem Lett 8: 2241-6 (1999) BindingDB Entry DOI: 10.7270/Q2BC3XQ7
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50071422 (CHEMBL73042 | N-[(R)-1-[1-(Butane-1-sulfonylaminoc...) Show SMILES CCCCS(=O)(=O)NC(=O)C(NC(=O)[C@@H](Cc1ccc(cc1)-c1ccno1)N(C)C(=O)c1cc(C)cc(C)c1)C(C)CC Show InChI InChI=1S/C32H42N4O6S/c1-7-9-16-43(40,41)35-31(38)29(23(5)8-2)34-30(37)27(36(6)32(39)26-18-21(3)17-22(4)19-26)20-24-10-12-25(13-11-24)28-14-15-33-42-28/h10-15,17-19,23,27,29H,7-9,16,20H2,1-6H3,(H,34,37)(H,35,38)/t23?,27-,29?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takarazuka Research Institute Curated by ChEMBL					Assay Description Binding affinity to Endothelin A receptor				Bioorg Med Chem Lett 8: 2241-6 (1999) BindingDB Entry DOI: 10.7270/Q2BC3XQ7
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50071434 (CHEMBL72217 | N-[(R)-1-[1-(Butane-1-sulfonylaminoc...) Show SMILES CCCCS(=O)(=O)NC(=O)C(CC(C)C)NC(=O)[C@@H](Cc1ccc(cc1)-c1ccno1)N(C)C(=O)c1cc(C)cc(C)c1 Show InChI InChI=1S/C32H42N4O6S/c1-7-8-15-43(40,41)35-30(37)27(16-21(2)3)34-31(38)28(36(6)32(39)26-18-22(4)17-23(5)19-26)20-24-9-11-25(12-10-24)29-13-14-33-42-29/h9-14,17-19,21,27-28H,7-8,15-16,20H2,1-6H3,(H,34,38)(H,35,37)/t27?,28-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takarazuka Research Institute Curated by ChEMBL					Assay Description Binding affinity to Endothelin A receptor				Bioorg Med Chem Lett 8: 2241-6 (1999) BindingDB Entry DOI: 10.7270/Q2BC3XQ7
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50071442 (CHEMBL72358 | N-[(R)-1-[2-(Butane-1-sulfonylamino)...) Show SMILES CCCCS(=O)(=O)NC(=O)C(NC(=O)[C@@H](Cc1ccc(cc1)-c1ccno1)N(C)C(=O)c1cc(C)cc(C)c1)C1CCCCC1 Show InChI InChI=1S/C34H44N4O6S/c1-5-6-18-45(42,43)37-33(40)31(27-10-8-7-9-11-27)36-32(39)29(38(4)34(41)28-20-23(2)19-24(3)21-28)22-25-12-14-26(15-13-25)30-16-17-35-44-30/h12-17,19-21,27,29,31H,5-11,18,22H2,1-4H3,(H,36,39)(H,37,40)/t29-,31?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takarazuka Research Institute Curated by ChEMBL					Assay Description Binding affinity to Endothelin A receptor				Bioorg Med Chem Lett 8: 2241-6 (1999) BindingDB Entry DOI: 10.7270/Q2BC3XQ7
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50071424 (CHEMBL263301 | N-[(R)-1-[1-(Butane-1-sulfonylamino...) Show SMILES CCCCS(=O)(=O)NC(=O)C(NC(=O)[C@@H](Cc1ccc(cc1)-c1ccno1)N(C)C(=O)c1cc(C)cc(C)c1)C(C)O Show InChI InChI=1S/C30H38N4O7S/c1-6-7-14-42(39,40)33-29(37)27(21(4)35)32-28(36)25(34(5)30(38)24-16-19(2)15-20(3)17-24)18-22-8-10-23(11-9-22)26-12-13-31-41-26/h8-13,15-17,21,25,27,35H,6-7,14,18H2,1-5H3,(H,32,36)(H,33,37)/t21?,25-,27?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takarazuka Research Institute Curated by ChEMBL					Assay Description Binding affinity to Endothelin A receptor				Bioorg Med Chem Lett 8: 2241-6 (1999) BindingDB Entry DOI: 10.7270/Q2BC3XQ7
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50071439 (CHEMBL73000 | N-[(R)-1-[(S)-1-(1H-Indol-3-ylmethyl...) Show SMILES CC(C)S(=O)(=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(cc1)-c1ccno1)N(C)C(=O)c1cc(C)cc(C)c1 Show InChI InChI=1S/C36H39N5O6S/c1-22(2)48(45,46)40-34(42)31(20-28-21-37-30-9-7-6-8-29(28)30)39-35(43)32(41(5)36(44)27-17-23(3)16-24(4)18-27)19-25-10-12-26(13-11-25)33-14-15-38-47-33/h6-18,21-22,31-32,37H,19-20H2,1-5H3,(H,39,43)(H,40,42)/t31-,32+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takarazuka Research Institute Curated by ChEMBL					Assay Description Binding affinity to Endothelin A receptor				Bioorg Med Chem Lett 8: 2241-6 (1999) BindingDB Entry DOI: 10.7270/Q2BC3XQ7
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50071431 ((S)-2-{(R)-2-[(3,5-Dimethyl-benzoyl)-methyl-amino]...) Show SMILES CN([C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(=O)c1cc(C)cc(C)c1 Show InChI InChI=1S/C30H31N3O4/c1-19-13-20(2)15-22(14-19)29(35)33(3)27(16-21-9-5-4-6-10-21)28(34)32-26(30(36)37)17-23-18-31-25-12-8-7-11-24(23)25/h4-15,18,26-27,31H,16-17H2,1-3H3,(H,32,34)(H,36,37)/t26-,27+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takarazuka Research Institute Curated by ChEMBL					Assay Description Binding affinity to Endothelin B receptor				Bioorg Med Chem Lett 8: 2241-6 (1999) BindingDB Entry DOI: 10.7270/Q2BC3XQ7
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50071438 ((S)-2-[(R)-2-[(3,5-Dimethyl-benzoyl)-methyl-amino]...) Show SMILES CN([C@H](Cc1ccc(cc1)-c1ccno1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(=O)c1cc(C)cc(C)c1 Show InChI InChI=1S/C33H32N4O5/c1-20-14-21(2)16-24(15-20)32(39)37(3)29(17-22-8-10-23(11-9-22)30-12-13-35-42-30)31(38)36-28(33(40)41)18-25-19-34-27-7-5-4-6-26(25)27/h4-16,19,28-29,34H,17-18H2,1-3H3,(H,36,38)(H,40,41)/t28-,29+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takarazuka Research Institute Curated by ChEMBL					Assay Description Binding affinity to Endothelin A receptor				Bioorg Med Chem Lett 8: 2241-6 (1999) BindingDB Entry DOI: 10.7270/Q2BC3XQ7
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50071435 ((S)-2-[(R)-2-[(3,5-Dimethyl-benzoyl)-methyl-amino]...) Show SMILES CN([C@H](Cc1ccc(cc1)-c1ccsc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(=O)c1cc(C)cc(C)c1 Show InChI InChI=1S/C34H33N3O4S/c1-21-14-22(2)16-26(15-21)33(39)37(3)31(17-23-8-10-24(11-9-23)25-12-13-42-20-25)32(38)36-30(34(40)41)18-27-19-35-29-7-5-4-6-28(27)29/h4-16,19-20,30-31,35H,17-18H2,1-3H3,(H,36,38)(H,40,41)/t30-,31+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takarazuka Research Institute Curated by ChEMBL					Assay Description Binding affinity to Endothelin A receptor				Bioorg Med Chem Lett 8: 2241-6 (1999) BindingDB Entry DOI: 10.7270/Q2BC3XQ7
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50071432 ((S)-2-[(R)-2-[(3,5-Dimethyl-benzoyl)-methyl-amino]...) Show SMILES CN([C@H](Cc1ccc(cc1)-c1cccs1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(=O)c1cc(C)cc(C)c1 Show InChI InChI=1S/C34H33N3O4S/c1-21-15-22(2)17-25(16-21)33(39)37(3)30(18-23-10-12-24(13-11-23)31-9-6-14-42-31)32(38)36-29(34(40)41)19-26-20-35-28-8-5-4-7-27(26)28/h4-17,20,29-30,35H,18-19H2,1-3H3,(H,36,38)(H,40,41)/t29-,30+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	87	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takarazuka Research Institute Curated by ChEMBL					Assay Description Binding affinity to Endothelin A receptor				Bioorg Med Chem Lett 8: 2241-6 (1999) BindingDB Entry DOI: 10.7270/Q2BC3XQ7
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50071427 ((S)-2-[(R)-2-[(3,5-Dimethyl-benzoyl)-methyl-amino]...) Show SMILES CN([C@H](Cc1ccc(cc1)-c1ccon1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(=O)c1cc(C)cc(C)c1 Show InChI InChI=1S/C33H32N4O5/c1-20-14-21(2)16-24(15-20)32(39)37(3)30(17-22-8-10-23(11-9-22)27-12-13-42-36-27)31(38)35-29(33(40)41)18-25-19-34-28-7-5-4-6-26(25)28/h4-16,19,29-30,34H,17-18H2,1-3H3,(H,35,38)(H,40,41)/t29-,30+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takarazuka Research Institute Curated by ChEMBL					Assay Description Binding affinity to Endothelin A receptor				Bioorg Med Chem Lett 8: 2241-6 (1999) BindingDB Entry DOI: 10.7270/Q2BC3XQ7
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50071441 ((S)-2-[(R)-2-[(3,5-Dimethyl-benzoyl)-methyl-amino]...) Show SMILES CN([C@H](Cc1ccc(cc1)-c1ccco1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(=O)c1cc(C)cc(C)c1 Show InChI InChI=1S/C34H33N3O5/c1-21-15-22(2)17-25(16-21)33(39)37(3)30(18-23-10-12-24(13-11-23)31-9-6-14-42-31)32(38)36-29(34(40)41)19-26-20-35-28-8-5-4-7-27(26)28/h4-17,20,29-30,35H,18-19H2,1-3H3,(H,36,38)(H,40,41)/t29-,30+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takarazuka Research Institute Curated by ChEMBL					Assay Description Binding affinity to Endothelin A receptor				Bioorg Med Chem Lett 8: 2241-6 (1999) BindingDB Entry DOI: 10.7270/Q2BC3XQ7
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50071433 ((S)-2-{(R)-3-Biphenyl-4-yl-2-[(3,5-dimethyl-benzoy...) Show SMILES CN([C@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(=O)c1cc(C)cc(C)c1 Show InChI InChI=1S/C36H35N3O4/c1-23-17-24(2)19-28(18-23)35(41)39(3)33(20-25-13-15-27(16-14-25)26-9-5-4-6-10-26)34(40)38-32(36(42)43)21-29-22-37-31-12-8-7-11-30(29)31/h4-19,22,32-33,37H,20-21H2,1-3H3,(H,38,40)(H,42,43)/t32-,33+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PubMed	440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takarazuka Research Institute Curated by ChEMBL					Assay Description Binding affinity to Endothelin A receptor				Bioorg Med Chem Lett 8: 2241-6 (1999) BindingDB Entry DOI: 10.7270/Q2BC3XQ7
					More data for this Ligand-Target Pair

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