Compile Data Set for Download or QSAR

Found 48 hits Enz. Inhib. hit(s) with all data for entry = 50000407   

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 (Homo sapiens (Human))	BDBM50249533 (CHEMBL4078537) Show SMILES CCCOc1ccc2n(Cc3cc4OCOc4cc3CC)c(C(O)=O)c(Cc3cccc(c3)-c3nnn[nH]3)c(=O)c2c1 Show InChI InChI=1S/C31H29N5O6/c1-3-10-40-22-8-9-25-23(15-22)29(37)24(12-18-6-5-7-20(11-18)30-32-34-35-33-30)28(31(38)39)36(25)16-21-14-27-26(41-17-42-27)13-19(21)4-2/h5-9,11,13-15H,3-4,10,12,16-17H2,1-2H3,(H,38,39)(H,32,33,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Antagonist activity at ETA receptor (unknown origin) expressed in membranes by radioligand assay				Bioorg Med Chem Lett 27: 2281-2285 (2017) Article DOI: 10.1016/j.bmcl.2017.04.049 BindingDB Entry DOI: 10.7270/Q2Q52S21
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50249532 (CHEMBL4061110) Show SMILES CCCCOc1ccc2n(Cc3cc4OCOc4cc3CC)c(C(O)=O)c(Cc3cccc(c3)-c3nnn[nH]3)c(=O)c2c1 Show InChI InChI=1S/C32H31N5O6/c1-3-5-11-41-23-9-10-26-24(16-23)30(38)25(13-19-7-6-8-21(12-19)31-33-35-36-34-31)29(32(39)40)37(26)17-22-15-28-27(42-18-43-28)14-20(22)4-2/h6-10,12,14-16H,3-5,11,13,17-18H2,1-2H3,(H,39,40)(H,33,34,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Antagonist activity at ETA receptor (unknown origin) expressed in membranes by radioligand assay				Bioorg Med Chem Lett 27: 2281-2285 (2017) Article DOI: 10.1016/j.bmcl.2017.04.049 BindingDB Entry DOI: 10.7270/Q2Q52S21
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50249565 (CHEMBL4075238) Show SMILES [Na+].CCCC[C@@H](NC(=O)[C@@H](Cc1cc2ccccc2n1C(=O)OC)NC(=O)[C@H](CC(C)(C)C)NC(=O)N1[C@@H](C)CCC[C@H]1C)C([O-])=O |r| Show InChI InChI=1S/C34H51N5O7.Na/c1-8-9-16-25(31(42)43)35-29(40)26(19-24-18-23-15-10-11-17-28(23)39(24)33(45)46-7)36-30(41)27(20-34(4,5)6)37-32(44)38-21(2)13-12-14-22(38)3;/h10-11,15,17-18,21-22,25-27H,8-9,12-14,16,19-20H2,1-7H3,(H,35,40)(H,36,41)(H,37,44)(H,42,43);/q;+1/p-1/t21-,22+,25-,26-,27+;/m1./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Antagonist activity at ETB receptor (unknown origin) expressed in HEK293T cells measured after 30 mins by CCF4-AM dye based GeneBlazer FRET assay				Bioorg Med Chem Lett 27: 2281-2285 (2017) Article DOI: 10.1016/j.bmcl.2017.04.049 BindingDB Entry DOI: 10.7270/Q2Q52S21
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50329843 (6-Butoxy-3-(3-carboxybenzyl)-1-[(6-ethylbenzo[d][1...) Show SMILES CCCCOc1ccc2n(Cc3cc4OCOc4cc3CC)c(C(O)=O)c(Cc3cccc(c3)C(O)=O)c(=O)c2c1 Show InChI InChI=1S/C32H31NO8/c1-3-5-11-39-23-9-10-26-24(16-23)30(34)25(13-19-7-6-8-21(12-19)31(35)36)29(32(37)38)33(26)17-22-15-28-27(40-18-41-28)14-20(22)4-2/h6-10,12,14-16H,3-5,11,13,17-18H2,1-2H3,(H,35,36)(H,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Antagonist activity at ETA receptor (unknown origin) expressed in membranes by radioligand assay				Bioorg Med Chem Lett 27: 2281-2285 (2017) Article DOI: 10.1016/j.bmcl.2017.04.049 BindingDB Entry DOI: 10.7270/Q2Q52S21
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50329839 (3-(3-Carboxybenzyl)-1-[(6-ethylbenzo[d][1,3]dioxol...) Show SMILES CCCOc1ccc2n(Cc3cc4OCOc4cc3CC)c(C(O)=O)c(Cc3cccc(c3)C(O)=O)c(=O)c2c1 Show InChI InChI=1S/C31H29NO8/c1-3-10-38-22-8-9-25-23(15-22)29(33)24(12-18-6-5-7-20(11-18)30(34)35)28(31(36)37)32(25)16-21-14-27-26(39-17-40-27)13-19(21)4-2/h5-9,11,13-15H,3-4,10,12,16-17H2,1-2H3,(H,34,35)(H,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Antagonist activity at ETA receptor (unknown origin) expressed in membranes by radioligand assay				Bioorg Med Chem Lett 27: 2281-2285 (2017) Article DOI: 10.1016/j.bmcl.2017.04.049 BindingDB Entry DOI: 10.7270/Q2Q52S21
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50329839 (3-(3-Carboxybenzyl)-1-[(6-ethylbenzo[d][1,3]dioxol...) Show SMILES CCCOc1ccc2n(Cc3cc4OCOc4cc3CC)c(C(O)=O)c(Cc3cccc(c3)C(O)=O)c(=O)c2c1 Show InChI InChI=1S/C31H29NO8/c1-3-10-38-22-8-9-25-23(15-22)29(33)24(12-18-6-5-7-20(11-18)30(34)35)28(31(36)37)32(25)16-21-14-27-26(39-17-40-27)13-19(21)4-2/h5-9,11,13-15H,3-4,10,12,16-17H2,1-2H3,(H,34,35)(H,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Antagonist activity at ETA receptor (unknown origin) expressed in membranes by radioligand assay				Bioorg Med Chem Lett 27: 2281-2285 (2017) Article DOI: 10.1016/j.bmcl.2017.04.049 BindingDB Entry DOI: 10.7270/Q2Q52S21
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50249531 (CHEMBL4081426) Show SMILES CCc1cc2OCOc2cc1Cn1c(C(O)=O)c(Cc2cccc(c2)-c2nnn[nH]2)c(=O)c2cc(OCC(C)C)ccc12 Show InChI InChI=1S/C32H31N5O6/c1-4-20-12-27-28(43-17-42-27)13-22(20)15-37-26-9-8-23(41-16-18(2)3)14-24(26)30(38)25(29(37)32(39)40)11-19-6-5-7-21(10-19)31-33-35-36-34-31/h5-10,12-14,18H,4,11,15-17H2,1-3H3,(H,39,40)(H,33,34,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Antagonist activity at ETA receptor (unknown origin) expressed in membranes by radioligand assay				Bioorg Med Chem Lett 27: 2281-2285 (2017) Article DOI: 10.1016/j.bmcl.2017.04.049 BindingDB Entry DOI: 10.7270/Q2Q52S21
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50329838 (3-(3-Carboxybenzyl)-6-ethoxy-1-[(6-ethylbenzo[d][1...) Show SMILES CCOc1ccc2n(Cc3cc4OCOc4cc3CC)c(C(O)=O)c(Cc3cccc(c3)C(O)=O)c(=O)c2c1 Show InChI InChI=1S/C30H27NO8/c1-3-18-12-25-26(39-16-38-25)13-20(18)15-31-24-9-8-21(37-4-2)14-22(24)28(32)23(27(31)30(35)36)11-17-6-5-7-19(10-17)29(33)34/h5-10,12-14H,3-4,11,15-16H2,1-2H3,(H,33,34)(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Antagonist activity at ETA receptor (unknown origin) expressed in membranes by radioligand assay				Bioorg Med Chem Lett 27: 2281-2285 (2017) Article DOI: 10.1016/j.bmcl.2017.04.049 BindingDB Entry DOI: 10.7270/Q2Q52S21
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50249530 (CHEMBL4088349) Show SMILES CCOc1ccc2n(Cc3cc4OCOc4cc3CC)c(C(O)=O)c(Cc3cccc(c3)-c3nnn[nH]3)c(=O)c2c1 Show InChI InChI=1S/C30H27N5O6/c1-3-18-12-25-26(41-16-40-25)13-20(18)15-35-24-9-8-21(39-4-2)14-22(24)28(36)23(27(35)30(37)38)11-17-6-5-7-19(10-17)29-31-33-34-32-29/h5-10,12-14H,3-4,11,15-16H2,1-2H3,(H,37,38)(H,31,32,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Antagonist activity at ETA receptor (unknown origin) expressed in membranes by radioligand assay				Bioorg Med Chem Lett 27: 2281-2285 (2017) Article DOI: 10.1016/j.bmcl.2017.04.049 BindingDB Entry DOI: 10.7270/Q2Q52S21
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50249564 (CHEMBL4095638) Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC2=O)C(C)C |r| Show InChI InChI=1S/C31H42N6O7/c1-16(2)12-21-27(40)33-22(13-18-15-32-20-9-6-5-8-19(18)20)28(41)35-23(14-25(38)39)31(44)37-11-7-10-24(37)29(42)36-26(17(3)4)30(43)34-21/h5-6,8-9,15-17,21-24,26,32H,7,10-14H2,1-4H3,(H,33,40)(H,34,43)(H,35,41)(H,36,42)(H,38,39)/t21-,22-,23+,24-,26+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Antagonist activity at ETA receptor (unknown origin) expressed in membranes by radioligand assay				Bioorg Med Chem Lett 27: 2281-2285 (2017) Article DOI: 10.1016/j.bmcl.2017.04.049 BindingDB Entry DOI: 10.7270/Q2Q52S21
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50329844 (3-(3-Carboxybenzyl)-1-[(6-ethylbenzo[d][1,3]dioxol...) Show SMILES CCc1cc2OCOc2cc1Cn1c(C(O)=O)c(Cc2cccc(c2)C(O)=O)c(=O)c2cc(OCC(C)C)ccc12 Show InChI InChI=1S/C32H31NO8/c1-4-20-12-27-28(41-17-40-27)13-22(20)15-33-26-9-8-23(39-16-18(2)3)14-24(26)30(34)25(29(33)32(37)38)11-19-6-5-7-21(10-19)31(35)36/h5-10,12-14,18H,4,11,15-17H2,1-3H3,(H,35,36)(H,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.90	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Antagonist activity at ETA receptor (unknown origin) expressed in membranes by radioligand assay				Bioorg Med Chem Lett 27: 2281-2285 (2017) Article DOI: 10.1016/j.bmcl.2017.04.049 BindingDB Entry DOI: 10.7270/Q2Q52S21
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50249529 (CHEMBL4067475) Show SMILES CCc1cc2OCOc2cc1Cn1c(C(O)=O)c(Cc2cccc(c2)-c2nnn[nH]2)c(=O)c2cc(OCOC)ccc12 Show InChI InChI=1S/C30H27N5O7/c1-3-18-11-25-26(42-16-41-25)12-20(18)14-35-24-8-7-21(40-15-39-2)13-22(24)28(36)23(27(35)30(37)38)10-17-5-4-6-19(9-17)29-31-33-34-32-29/h4-9,11-13H,3,10,14-16H2,1-2H3,(H,37,38)(H,31,32,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Antagonist activity at ETA receptor (unknown origin) expressed in membranes by radioligand assay				Bioorg Med Chem Lett 27: 2281-2285 (2017) Article DOI: 10.1016/j.bmcl.2017.04.049 BindingDB Entry DOI: 10.7270/Q2Q52S21
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50329842 (3-(3-Carboxybenzyl)-1-[(6-ethylbenzo[d][1,3]dioxol...) Show SMILES CCc1cc2OCOc2cc1Cn1c(C(O)=O)c(Cc2cccc(c2)C(O)=O)c(=O)c2cc(OCOC)ccc12 Show InChI InChI=1S/C30H27NO9/c1-3-18-11-25-26(40-16-39-25)12-20(18)14-31-24-8-7-21(38-15-37-2)13-22(24)28(32)23(27(31)30(35)36)10-17-5-4-6-19(9-17)29(33)34/h4-9,11-13H,3,10,14-16H2,1-2H3,(H,33,34)(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Antagonist activity at ETA receptor (unknown origin) expressed in membranes by radioligand assay				Bioorg Med Chem Lett 27: 2281-2285 (2017) Article DOI: 10.1016/j.bmcl.2017.04.049 BindingDB Entry DOI: 10.7270/Q2Q52S21
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50249521 (CHEMBL4096346) Show SMILES CCc1cc2OCOc2cc1Cn1c(C(O)=O)c(Cc2cccc(c2)-c2nnn[nH]2)c(=O)c2cc(O)ccc12 Show InChI InChI=1S/C28H23N5O6/c1-2-16-10-23-24(39-14-38-23)11-18(16)13-33-22-7-6-19(34)12-20(22)26(35)21(25(33)28(36)37)9-15-4-3-5-17(8-15)27-29-31-32-30-27/h3-8,10-12,34H,2,9,13-14H2,1H3,(H,36,37)(H,29,30,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Antagonist activity at ETA receptor (unknown origin) expressed in membranes by radioligand assay				Bioorg Med Chem Lett 27: 2281-2285 (2017) Article DOI: 10.1016/j.bmcl.2017.04.049 BindingDB Entry DOI: 10.7270/Q2Q52S21
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50329837 (3-(3-Carboxybenzyl)-1-[(6-ethylbenzo[d][1,3]dioxol...) Show SMILES CCc1cc2OCOc2cc1Cn1c(C(O)=O)c(Cc2cccc(c2)C(O)=O)c(=O)c2cc(O)ccc12 Show InChI InChI=1S/C28H23NO8/c1-2-16-10-23-24(37-14-36-23)11-18(16)13-29-22-7-6-19(30)12-20(22)26(31)21(25(29)28(34)35)9-15-4-3-5-17(8-15)27(32)33/h3-8,10-12,30H,2,9,13-14H2,1H3,(H,32,33)(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Antagonist activity at ETA receptor (unknown origin) expressed in membranes by radioligand assay				Bioorg Med Chem Lett 27: 2281-2285 (2017) Article DOI: 10.1016/j.bmcl.2017.04.049 BindingDB Entry DOI: 10.7270/Q2Q52S21
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50329841 (6-(Allyloxy)-3-(3-carboxybenzyl)-1-[(6-ethylbenzo[...) Show SMILES CCc1cc2OCOc2cc1Cn1c(C(O)=O)c(Cc2cccc(c2)C(O)=O)c(=O)c2cc(OCC=C)ccc12 Show InChI InChI=1S/C31H27NO8/c1-3-10-38-22-8-9-25-23(15-22)29(33)24(12-18-6-5-7-20(11-18)30(34)35)28(31(36)37)32(25)16-21-14-27-26(39-17-40-27)13-19(21)4-2/h3,5-9,11,13-15H,1,4,10,12,16-17H2,2H3,(H,34,35)(H,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Antagonist activity at ETA receptor (unknown origin) expressed in membranes by radioligand assay				Bioorg Med Chem Lett 27: 2281-2285 (2017) Article DOI: 10.1016/j.bmcl.2017.04.049 BindingDB Entry DOI: 10.7270/Q2Q52S21
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50249563 (CHEMBL4100579) Show SMILES CCc1cc2OCOc2cc1Cn1c(C(O)=O)c(Cc2cccc(c2)-c2nnn[nH]2)c(=O)c2cc(OCC=C)ccc12 Show InChI InChI=1S/C31H27N5O6/c1-3-10-40-22-8-9-25-23(15-22)29(37)24(12-18-6-5-7-20(11-18)30-32-34-35-33-30)28(31(38)39)36(25)16-21-14-27-26(41-17-42-27)13-19(21)4-2/h3,5-9,11,13-15H,1,4,10,12,16-17H2,2H3,(H,38,39)(H,32,33,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Antagonist activity at ETA receptor (unknown origin) expressed in membranes by radioligand assay				Bioorg Med Chem Lett 27: 2281-2285 (2017) Article DOI: 10.1016/j.bmcl.2017.04.049 BindingDB Entry DOI: 10.7270/Q2Q52S21
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50249537 (CHEMBL4071505) Show SMILES CCc1cc2OCOc2cc1Cn1c(C(O)=O)c(Cc2cccc(c2)-c2nnn[nH]2)c(=O)c2cc(OCC3CC3)ccc12 Show InChI InChI=1S/C32H29N5O6/c1-2-20-12-27-28(43-17-42-27)13-22(20)15-37-26-9-8-23(41-16-18-6-7-18)14-24(26)30(38)25(29(37)32(39)40)11-19-4-3-5-21(10-19)31-33-35-36-34-31/h3-5,8-10,12-14,18H,2,6-7,11,15-17H2,1H3,(H,39,40)(H,33,34,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Antagonist activity at ETA receptor (unknown origin) expressed in membranes by radioligand assay				Bioorg Med Chem Lett 27: 2281-2285 (2017) Article DOI: 10.1016/j.bmcl.2017.04.049 BindingDB Entry DOI: 10.7270/Q2Q52S21
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50329846 (3-(3-Carboxybenzyl)-6-(cyclopropylmethoxy)-1-[(6-e...) Show SMILES CCc1cc2OCOc2cc1Cn1c(C(O)=O)c(Cc2cccc(c2)C(O)=O)c(=O)c2cc(OCC3CC3)ccc12 Show InChI InChI=1S/C32H29NO8/c1-2-20-12-27-28(41-17-40-27)13-22(20)15-33-26-9-8-23(39-16-18-6-7-18)14-24(26)30(34)25(29(33)32(37)38)11-19-4-3-5-21(10-19)31(35)36/h3-5,8-10,12-14,18H,2,6-7,11,15-17H2,1H3,(H,35,36)(H,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	121	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Antagonist activity at ETA receptor (unknown origin) expressed in membranes by radioligand assay				Bioorg Med Chem Lett 27: 2281-2285 (2017) Article DOI: 10.1016/j.bmcl.2017.04.049 BindingDB Entry DOI: 10.7270/Q2Q52S21
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50249534 (CHEMBL4068786) Show SMILES CCc1cc2OCOc2cc1Cn1c(C(O)=O)c(Cc2cccc(c2)-c2nnn[nH]2)c(=O)c2cc(OCC3CCC3)ccc12 Show InChI InChI=1S/C33H31N5O6/c1-2-21-13-28-29(44-18-43-28)14-23(21)16-38-27-10-9-24(42-17-19-5-3-6-19)15-25(27)31(39)26(30(38)33(40)41)12-20-7-4-8-22(11-20)32-34-36-37-35-32/h4,7-11,13-15,19H,2-3,5-6,12,16-18H2,1H3,(H,40,41)(H,34,35,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	279	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Antagonist activity at ETA receptor (unknown origin) expressed in membranes by radioligand assay				Bioorg Med Chem Lett 27: 2281-2285 (2017) Article DOI: 10.1016/j.bmcl.2017.04.049 BindingDB Entry DOI: 10.7270/Q2Q52S21
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50249558 (CHEMBL4088634) Show SMILES CCc1cc2OCOc2cc1Cn1c(C(O)=O)c(Cc2cccc(c2)C(O)=O)c(=O)c2cc(OCC3CCC3)ccc12 Show InChI InChI=1S/C33H31NO8/c1-2-21-13-28-29(42-18-41-28)14-23(21)16-34-27-10-9-24(40-17-19-5-3-6-19)15-25(27)31(35)26(30(34)33(38)39)12-20-7-4-8-22(11-20)32(36)37/h4,7-11,13-15,19H,2-3,5-6,12,16-18H2,1H3,(H,36,37)(H,38,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	342	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Antagonist activity at ETA receptor (unknown origin) expressed in membranes by radioligand assay				Bioorg Med Chem Lett 27: 2281-2285 (2017) Article DOI: 10.1016/j.bmcl.2017.04.049 BindingDB Entry DOI: 10.7270/Q2Q52S21
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50249536 (CHEMBL4076290) Show SMILES CCc1cc2OCOc2cc1Cn1c(C(O)=O)c(Cc2cccc(c2)C(O)=O)c(=O)c2cc(OCCN)ccc12 Show InChI InChI=1S/C30H28N2O8/c1-2-18-12-25-26(40-16-39-25)13-20(18)15-32-24-7-6-21(38-9-8-31)14-22(24)28(33)23(27(32)30(36)37)11-17-4-3-5-19(10-17)29(34)35/h3-7,10,12-14H,2,8-9,11,15-16,31H2,1H3,(H,34,35)(H,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	365	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Antagonist activity at ETA receptor (unknown origin) expressed in membranes by radioligand assay				Bioorg Med Chem Lett 27: 2281-2285 (2017) Article DOI: 10.1016/j.bmcl.2017.04.049 BindingDB Entry DOI: 10.7270/Q2Q52S21
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50249535 (CHEMBL4096211) Show SMILES CCc1cc2OCOc2cc1Cn1c(C(O)=O)c(Cc2cccc(c2)-c2nnn[nH]2)c(=O)c2cc(OCCN)ccc12 Show InChI InChI=1S/C30H28N6O6/c1-2-18-12-25-26(42-16-41-25)13-20(18)15-36-24-7-6-21(40-9-8-31)14-22(24)28(37)23(27(36)30(38)39)11-17-4-3-5-19(10-17)29-32-34-35-33-29/h3-7,10,12-14H,2,8-9,11,15-16,31H2,1H3,(H,38,39)(H,32,33,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	373	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Antagonist activity at ETA receptor (unknown origin) expressed in membranes by radioligand assay				Bioorg Med Chem Lett 27: 2281-2285 (2017) Article DOI: 10.1016/j.bmcl.2017.04.049 BindingDB Entry DOI: 10.7270/Q2Q52S21
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50329843 (6-Butoxy-3-(3-carboxybenzyl)-1-[(6-ethylbenzo[d][1...) Show SMILES CCCCOc1ccc2n(Cc3cc4OCOc4cc3CC)c(C(O)=O)c(Cc3cccc(c3)C(O)=O)c(=O)c2c1 Show InChI InChI=1S/C32H31NO8/c1-3-5-11-39-23-9-10-26-24(16-23)30(34)25(13-19-7-6-8-21(12-19)31(35)36)29(32(37)38)33(26)17-22-15-28-27(40-18-41-28)14-20(22)4-2/h6-10,12,14-16H,3-5,11,13,17-18H2,1-2H3,(H,35,36)(H,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	548	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Antagonist activity at ETB receptor (unknown origin) expressed in HEK293T cells measured after 30 mins by CCF4-AM dye based GeneBlazer FRET assay				Bioorg Med Chem Lett 27: 2281-2285 (2017) Article DOI: 10.1016/j.bmcl.2017.04.049 BindingDB Entry DOI: 10.7270/Q2Q52S21
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50249535 (CHEMBL4096211) Show SMILES CCc1cc2OCOc2cc1Cn1c(C(O)=O)c(Cc2cccc(c2)-c2nnn[nH]2)c(=O)c2cc(OCCN)ccc12 Show InChI InChI=1S/C30H28N6O6/c1-2-18-12-25-26(42-16-41-25)13-20(18)15-36-24-7-6-21(40-9-8-31)14-22(24)28(37)23(27(36)30(38)39)11-17-4-3-5-19(10-17)29-32-34-35-33-29/h3-7,10,12-14H,2,8-9,11,15-16,31H2,1H3,(H,38,39)(H,32,33,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	562	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Antagonist activity at ETB receptor (unknown origin) expressed in HEK293T cells measured after 30 mins by CCF4-AM dye based GeneBlazer FRET assay				Bioorg Med Chem Lett 27: 2281-2285 (2017) Article DOI: 10.1016/j.bmcl.2017.04.049 BindingDB Entry DOI: 10.7270/Q2Q52S21
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50249532 (CHEMBL4061110) Show SMILES CCCCOc1ccc2n(Cc3cc4OCOc4cc3CC)c(C(O)=O)c(Cc3cccc(c3)-c3nnn[nH]3)c(=O)c2c1 Show InChI InChI=1S/C32H31N5O6/c1-3-5-11-41-23-9-10-26-24(16-23)30(38)25(13-19-7-6-8-21(12-19)31-33-35-36-34-31)29(32(39)40)37(26)17-22-15-28-27(42-18-43-28)14-20(22)4-2/h6-10,12,14-16H,3-5,11,13,17-18H2,1-2H3,(H,39,40)(H,33,34,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	618	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Antagonist activity at ETB receptor (unknown origin) expressed in HEK293T cells measured after 30 mins by CCF4-AM dye based GeneBlazer FRET assay				Bioorg Med Chem Lett 27: 2281-2285 (2017) Article DOI: 10.1016/j.bmcl.2017.04.049 BindingDB Entry DOI: 10.7270/Q2Q52S21
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50249531 (CHEMBL4081426) Show SMILES CCc1cc2OCOc2cc1Cn1c(C(O)=O)c(Cc2cccc(c2)-c2nnn[nH]2)c(=O)c2cc(OCC(C)C)ccc12 Show InChI InChI=1S/C32H31N5O6/c1-4-20-12-27-28(43-17-42-27)13-22(20)15-37-26-9-8-23(41-16-18(2)3)14-24(26)30(38)25(29(37)32(39)40)11-19-6-5-7-21(10-19)31-33-35-36-34-31/h5-10,12-14,18H,4,11,15-17H2,1-3H3,(H,39,40)(H,33,34,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	698	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Antagonist activity at ETB receptor (unknown origin) expressed in HEK293T cells measured after 30 mins by CCF4-AM dye based GeneBlazer FRET assay				Bioorg Med Chem Lett 27: 2281-2285 (2017) Article DOI: 10.1016/j.bmcl.2017.04.049 BindingDB Entry DOI: 10.7270/Q2Q52S21
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50329844 (3-(3-Carboxybenzyl)-1-[(6-ethylbenzo[d][1,3]dioxol...) Show SMILES CCc1cc2OCOc2cc1Cn1c(C(O)=O)c(Cc2cccc(c2)C(O)=O)c(=O)c2cc(OCC(C)C)ccc12 Show InChI InChI=1S/C32H31NO8/c1-4-20-12-27-28(41-17-40-27)13-22(20)15-33-26-9-8-23(39-16-18(2)3)14-24(26)30(34)25(29(33)32(37)38)11-19-6-5-7-21(10-19)31(35)36/h5-10,12-14,18H,4,11,15-17H2,1-3H3,(H,35,36)(H,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	713	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Antagonist activity at ETB receptor (unknown origin) expressed in HEK293T cells measured after 30 mins by CCF4-AM dye based GeneBlazer FRET assay				Bioorg Med Chem Lett 27: 2281-2285 (2017) Article DOI: 10.1016/j.bmcl.2017.04.049 BindingDB Entry DOI: 10.7270/Q2Q52S21
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50249537 (CHEMBL4071505) Show SMILES CCc1cc2OCOc2cc1Cn1c(C(O)=O)c(Cc2cccc(c2)-c2nnn[nH]2)c(=O)c2cc(OCC3CC3)ccc12 Show InChI InChI=1S/C32H29N5O6/c1-2-20-12-27-28(43-17-42-27)13-22(20)15-37-26-9-8-23(41-16-18-6-7-18)14-24(26)30(38)25(29(37)32(39)40)11-19-4-3-5-21(10-19)31-33-35-36-34-31/h3-5,8-10,12-14,18H,2,6-7,11,15-17H2,1H3,(H,39,40)(H,33,34,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	758	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Antagonist activity at ETB receptor (unknown origin) expressed in HEK293T cells measured after 30 mins by CCF4-AM dye based GeneBlazer FRET assay				Bioorg Med Chem Lett 27: 2281-2285 (2017) Article DOI: 10.1016/j.bmcl.2017.04.049 BindingDB Entry DOI: 10.7270/Q2Q52S21
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50249533 (CHEMBL4078537) Show SMILES CCCOc1ccc2n(Cc3cc4OCOc4cc3CC)c(C(O)=O)c(Cc3cccc(c3)-c3nnn[nH]3)c(=O)c2c1 Show InChI InChI=1S/C31H29N5O6/c1-3-10-40-22-8-9-25-23(15-22)29(37)24(12-18-6-5-7-20(11-18)30-32-34-35-33-30)28(31(38)39)36(25)16-21-14-27-26(41-17-42-27)13-19(21)4-2/h5-9,11,13-15H,3-4,10,12,16-17H2,1-2H3,(H,38,39)(H,32,33,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	803	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Antagonist activity at ETB receptor (unknown origin) expressed in HEK293T cells measured after 30 mins by CCF4-AM dye based GeneBlazer FRET assay				Bioorg Med Chem Lett 27: 2281-2285 (2017) Article DOI: 10.1016/j.bmcl.2017.04.049 BindingDB Entry DOI: 10.7270/Q2Q52S21
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50329846 (3-(3-Carboxybenzyl)-6-(cyclopropylmethoxy)-1-[(6-e...) Show SMILES CCc1cc2OCOc2cc1Cn1c(C(O)=O)c(Cc2cccc(c2)C(O)=O)c(=O)c2cc(OCC3CC3)ccc12 Show InChI InChI=1S/C32H29NO8/c1-2-20-12-27-28(41-17-40-27)13-22(20)15-33-26-9-8-23(39-16-18-6-7-18)14-24(26)30(34)25(29(33)32(37)38)11-19-4-3-5-21(10-19)31(35)36/h3-5,8-10,12-14,18H,2,6-7,11,15-17H2,1H3,(H,35,36)(H,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	856	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Antagonist activity at ETB receptor (unknown origin) expressed in HEK293T cells measured after 30 mins by CCF4-AM dye based GeneBlazer FRET assay				Bioorg Med Chem Lett 27: 2281-2285 (2017) Article DOI: 10.1016/j.bmcl.2017.04.049 BindingDB Entry DOI: 10.7270/Q2Q52S21
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50249538 (CHEMBL4072165) Show SMILES CCc1cc2OCOc2cc1Cn1c(C(O)=O)c(Cc2cccc(c2)-c2nnn[nH]2)c(=O)c2cc(OCC3CCCC3)ccc12 Show InChI InChI=1S/C34H33N5O6/c1-2-22-14-29-30(45-19-44-29)15-24(22)17-39-28-11-10-25(43-18-20-6-3-4-7-20)16-26(28)32(40)27(31(39)34(41)42)13-21-8-5-9-23(12-21)33-35-37-38-36-33/h5,8-12,14-16,20H,2-4,6-7,13,17-19H2,1H3,(H,41,42)(H,35,36,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	873	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Antagonist activity at ETA receptor (unknown origin) expressed in membranes by radioligand assay				Bioorg Med Chem Lett 27: 2281-2285 (2017) Article DOI: 10.1016/j.bmcl.2017.04.049 BindingDB Entry DOI: 10.7270/Q2Q52S21
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50249558 (CHEMBL4088634) Show SMILES CCc1cc2OCOc2cc1Cn1c(C(O)=O)c(Cc2cccc(c2)C(O)=O)c(=O)c2cc(OCC3CCC3)ccc12 Show InChI InChI=1S/C33H31NO8/c1-2-21-13-28-29(42-18-41-28)14-23(21)16-34-27-10-9-24(40-17-19-5-3-6-19)15-25(27)31(35)26(30(34)33(38)39)12-20-7-4-8-22(11-20)32(36)37/h4,7-11,13-15,19H,2-3,5-6,12,16-18H2,1H3,(H,36,37)(H,38,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	935	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Antagonist activity at ETB receptor (unknown origin) expressed in HEK293T cells measured after 30 mins by CCF4-AM dye based GeneBlazer FRET assay				Bioorg Med Chem Lett 27: 2281-2285 (2017) Article DOI: 10.1016/j.bmcl.2017.04.049 BindingDB Entry DOI: 10.7270/Q2Q52S21
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50249529 (CHEMBL4067475) Show SMILES CCc1cc2OCOc2cc1Cn1c(C(O)=O)c(Cc2cccc(c2)-c2nnn[nH]2)c(=O)c2cc(OCOC)ccc12 Show InChI InChI=1S/C30H27N5O7/c1-3-18-11-25-26(42-16-41-25)12-20(18)14-35-24-8-7-21(40-15-39-2)13-22(24)28(36)23(27(35)30(37)38)10-17-5-4-6-19(9-17)29-31-33-34-32-29/h4-9,11-13H,3,10,14-16H2,1-2H3,(H,37,38)(H,31,32,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	972	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Antagonist activity at ETB receptor (unknown origin) expressed in HEK293T cells measured after 30 mins by CCF4-AM dye based GeneBlazer FRET assay				Bioorg Med Chem Lett 27: 2281-2285 (2017) Article DOI: 10.1016/j.bmcl.2017.04.049 BindingDB Entry DOI: 10.7270/Q2Q52S21
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50249563 (CHEMBL4100579) Show SMILES CCc1cc2OCOc2cc1Cn1c(C(O)=O)c(Cc2cccc(c2)-c2nnn[nH]2)c(=O)c2cc(OCC=C)ccc12 Show InChI InChI=1S/C31H27N5O6/c1-3-10-40-22-8-9-25-23(15-22)29(37)24(12-18-6-5-7-20(11-18)30-32-34-35-33-30)28(31(38)39)36(25)16-21-14-27-26(41-17-42-27)13-19(21)4-2/h3,5-9,11,13-15H,1,4,10,12,16-17H2,2H3,(H,38,39)(H,32,33,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Antagonist activity at ETB receptor (unknown origin) expressed in HEK293T cells measured after 30 mins by CCF4-AM dye based GeneBlazer FRET assay				Bioorg Med Chem Lett 27: 2281-2285 (2017) Article DOI: 10.1016/j.bmcl.2017.04.049 BindingDB Entry DOI: 10.7270/Q2Q52S21
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50249507 (CHEMBL4078297) Show SMILES CCc1cc2OCOc2cc1Cn1c(C(O)=O)c(Cc2cccc(c2)C(O)=O)c(=O)c2cc(OCC3CCCC3)ccc12 Show InChI InChI=1S/C34H33NO8/c1-2-22-14-29-30(43-19-42-29)15-24(22)17-35-28-11-10-25(41-18-20-6-3-4-7-20)16-26(28)32(36)27(31(35)34(39)40)13-21-8-5-9-23(12-21)33(37)38/h5,8-12,14-16,20H,2-4,6-7,13,17-19H2,1H3,(H,37,38)(H,39,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Antagonist activity at ETA receptor (unknown origin) expressed in membranes by radioligand assay				Bioorg Med Chem Lett 27: 2281-2285 (2017) Article DOI: 10.1016/j.bmcl.2017.04.049 BindingDB Entry DOI: 10.7270/Q2Q52S21
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50329842 (3-(3-Carboxybenzyl)-1-[(6-ethylbenzo[d][1,3]dioxol...) Show SMILES CCc1cc2OCOc2cc1Cn1c(C(O)=O)c(Cc2cccc(c2)C(O)=O)c(=O)c2cc(OCOC)ccc12 Show InChI InChI=1S/C30H27NO9/c1-3-18-11-25-26(40-16-39-25)12-20(18)14-31-24-8-7-21(38-15-37-2)13-22(24)28(32)23(27(31)30(35)36)10-17-5-4-6-19(9-17)29(33)34/h4-9,11-13H,3,10,14-16H2,1-2H3,(H,33,34)(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Antagonist activity at ETB receptor (unknown origin) expressed in HEK293T cells measured after 30 mins by CCF4-AM dye based GeneBlazer FRET assay				Bioorg Med Chem Lett 27: 2281-2285 (2017) Article DOI: 10.1016/j.bmcl.2017.04.049 BindingDB Entry DOI: 10.7270/Q2Q52S21
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50329841 (6-(Allyloxy)-3-(3-carboxybenzyl)-1-[(6-ethylbenzo[...) Show SMILES CCc1cc2OCOc2cc1Cn1c(C(O)=O)c(Cc2cccc(c2)C(O)=O)c(=O)c2cc(OCC=C)ccc12 Show InChI InChI=1S/C31H27NO8/c1-3-10-38-22-8-9-25-23(15-22)29(33)24(12-18-6-5-7-20(11-18)30(34)35)28(31(36)37)32(25)16-21-14-27-26(39-17-40-27)13-19(21)4-2/h3,5-9,11,13-15H,1,4,10,12,16-17H2,2H3,(H,34,35)(H,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Antagonist activity at ETB receptor (unknown origin) expressed in HEK293T cells measured after 30 mins by CCF4-AM dye based GeneBlazer FRET assay				Bioorg Med Chem Lett 27: 2281-2285 (2017) Article DOI: 10.1016/j.bmcl.2017.04.049 BindingDB Entry DOI: 10.7270/Q2Q52S21
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50249536 (CHEMBL4076290) Show SMILES CCc1cc2OCOc2cc1Cn1c(C(O)=O)c(Cc2cccc(c2)C(O)=O)c(=O)c2cc(OCCN)ccc12 Show InChI InChI=1S/C30H28N2O8/c1-2-18-12-25-26(40-16-39-25)13-20(18)15-32-24-7-6-21(38-9-8-31)14-22(24)28(33)23(27(32)30(36)37)11-17-4-3-5-19(10-17)29(34)35/h3-7,10,12-14H,2,8-9,11,15-16,31H2,1H3,(H,34,35)(H,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Antagonist activity at ETB receptor (unknown origin) expressed in HEK293T cells measured after 30 mins by CCF4-AM dye based GeneBlazer FRET assay				Bioorg Med Chem Lett 27: 2281-2285 (2017) Article DOI: 10.1016/j.bmcl.2017.04.049 BindingDB Entry DOI: 10.7270/Q2Q52S21
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50249534 (CHEMBL4068786) Show SMILES CCc1cc2OCOc2cc1Cn1c(C(O)=O)c(Cc2cccc(c2)-c2nnn[nH]2)c(=O)c2cc(OCC3CCC3)ccc12 Show InChI InChI=1S/C33H31N5O6/c1-2-21-13-28-29(44-18-43-28)14-23(21)16-38-27-10-9-24(42-17-19-5-3-6-19)15-25(27)31(39)26(30(38)33(40)41)12-20-7-4-8-22(11-20)32-34-36-37-35-32/h4,7-11,13-15,19H,2-3,5-6,12,16-18H2,1H3,(H,40,41)(H,34,35,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.44E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Antagonist activity at ETB receptor (unknown origin) expressed in HEK293T cells measured after 30 mins by CCF4-AM dye based GeneBlazer FRET assay				Bioorg Med Chem Lett 27: 2281-2285 (2017) Article DOI: 10.1016/j.bmcl.2017.04.049 BindingDB Entry DOI: 10.7270/Q2Q52S21
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50249538 (CHEMBL4072165) Show SMILES CCc1cc2OCOc2cc1Cn1c(C(O)=O)c(Cc2cccc(c2)-c2nnn[nH]2)c(=O)c2cc(OCC3CCCC3)ccc12 Show InChI InChI=1S/C34H33N5O6/c1-2-22-14-29-30(45-19-44-29)15-24(22)17-39-28-11-10-25(43-18-20-6-3-4-7-20)16-26(28)32(40)27(31(39)34(41)42)13-21-8-5-9-23(12-21)33-35-37-38-36-33/h5,8-12,14-16,20H,2-4,6-7,13,17-19H2,1H3,(H,41,42)(H,35,36,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Antagonist activity at ETB receptor (unknown origin) expressed in HEK293T cells measured after 30 mins by CCF4-AM dye based GeneBlazer FRET assay				Bioorg Med Chem Lett 27: 2281-2285 (2017) Article DOI: 10.1016/j.bmcl.2017.04.049 BindingDB Entry DOI: 10.7270/Q2Q52S21
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50249507 (CHEMBL4078297) Show SMILES CCc1cc2OCOc2cc1Cn1c(C(O)=O)c(Cc2cccc(c2)C(O)=O)c(=O)c2cc(OCC3CCCC3)ccc12 Show InChI InChI=1S/C34H33NO8/c1-2-22-14-29-30(43-19-42-29)15-24(22)17-35-28-11-10-25(41-18-20-6-3-4-7-20)16-26(28)32(36)27(31(35)34(39)40)13-21-8-5-9-23(12-21)33(37)38/h5,8-12,14-16,20H,2-4,6-7,13,17-19H2,1H3,(H,37,38)(H,39,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Antagonist activity at ETB receptor (unknown origin) expressed in HEK293T cells measured after 30 mins by CCF4-AM dye based GeneBlazer FRET assay				Bioorg Med Chem Lett 27: 2281-2285 (2017) Article DOI: 10.1016/j.bmcl.2017.04.049 BindingDB Entry DOI: 10.7270/Q2Q52S21
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50329839 (3-(3-Carboxybenzyl)-1-[(6-ethylbenzo[d][1,3]dioxol...) Show SMILES CCCOc1ccc2n(Cc3cc4OCOc4cc3CC)c(C(O)=O)c(Cc3cccc(c3)C(O)=O)c(=O)c2c1 Show InChI InChI=1S/C31H29NO8/c1-3-10-38-22-8-9-25-23(15-22)29(33)24(12-18-6-5-7-20(11-18)30(34)35)28(31(36)37)32(25)16-21-14-27-26(39-17-40-27)13-19(21)4-2/h5-9,11,13-15H,3-4,10,12,16-17H2,1-2H3,(H,34,35)(H,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.87E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Antagonist activity at ETB receptor (unknown origin) expressed in HEK293T cells measured after 30 mins by CCF4-AM dye based GeneBlazer FRET assay				Bioorg Med Chem Lett 27: 2281-2285 (2017) Article DOI: 10.1016/j.bmcl.2017.04.049 BindingDB Entry DOI: 10.7270/Q2Q52S21
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50329839 (3-(3-Carboxybenzyl)-1-[(6-ethylbenzo[d][1,3]dioxol...) Show SMILES CCCOc1ccc2n(Cc3cc4OCOc4cc3CC)c(C(O)=O)c(Cc3cccc(c3)C(O)=O)c(=O)c2c1 Show InChI InChI=1S/C31H29NO8/c1-3-10-38-22-8-9-25-23(15-22)29(33)24(12-18-6-5-7-20(11-18)30(34)35)28(31(36)37)32(25)16-21-14-27-26(39-17-40-27)13-19(21)4-2/h5-9,11,13-15H,3-4,10,12,16-17H2,1-2H3,(H,34,35)(H,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.87E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Antagonist activity at ETB receptor (unknown origin) expressed in membranes by radioligand assay				Bioorg Med Chem Lett 27: 2281-2285 (2017) Article DOI: 10.1016/j.bmcl.2017.04.049 BindingDB Entry DOI: 10.7270/Q2Q52S21
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50329838 (3-(3-Carboxybenzyl)-6-ethoxy-1-[(6-ethylbenzo[d][1...) Show SMILES CCOc1ccc2n(Cc3cc4OCOc4cc3CC)c(C(O)=O)c(Cc3cccc(c3)C(O)=O)c(=O)c2c1 Show InChI InChI=1S/C30H27NO8/c1-3-18-12-25-26(39-16-38-25)13-20(18)15-31-24-9-8-21(37-4-2)14-22(24)28(32)23(27(31)30(35)36)11-17-6-5-7-19(10-17)29(33)34/h5-10,12-14H,3-4,11,15-16H2,1-2H3,(H,33,34)(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Antagonist activity at ETB receptor (unknown origin) expressed in HEK293T cells measured after 30 mins by CCF4-AM dye based GeneBlazer FRET assay				Bioorg Med Chem Lett 27: 2281-2285 (2017) Article DOI: 10.1016/j.bmcl.2017.04.049 BindingDB Entry DOI: 10.7270/Q2Q52S21
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50249530 (CHEMBL4088349) Show SMILES CCOc1ccc2n(Cc3cc4OCOc4cc3CC)c(C(O)=O)c(Cc3cccc(c3)-c3nnn[nH]3)c(=O)c2c1 Show InChI InChI=1S/C30H27N5O6/c1-3-18-12-25-26(41-16-40-25)13-20(18)15-35-24-9-8-21(39-4-2)14-22(24)28(36)23(27(35)30(37)38)11-17-6-5-7-19(10-17)29-31-33-34-32-29/h5-10,12-14H,3-4,11,15-16H2,1-2H3,(H,37,38)(H,31,32,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Antagonist activity at ETB receptor (unknown origin) expressed in HEK293T cells measured after 30 mins by CCF4-AM dye based GeneBlazer FRET assay				Bioorg Med Chem Lett 27: 2281-2285 (2017) Article DOI: 10.1016/j.bmcl.2017.04.049 BindingDB Entry DOI: 10.7270/Q2Q52S21
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50329837 (3-(3-Carboxybenzyl)-1-[(6-ethylbenzo[d][1,3]dioxol...) Show SMILES CCc1cc2OCOc2cc1Cn1c(C(O)=O)c(Cc2cccc(c2)C(O)=O)c(=O)c2cc(O)ccc12 Show InChI InChI=1S/C28H23NO8/c1-2-16-10-23-24(37-14-36-23)11-18(16)13-29-22-7-6-19(30)12-20(22)26(31)21(25(29)28(34)35)9-15-4-3-5-17(8-15)27(32)33/h3-8,10-12,30H,2,9,13-14H2,1H3,(H,32,33)(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.56E+4	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Antagonist activity at ETB receptor (unknown origin) expressed in HEK293T cells measured after 30 mins by CCF4-AM dye based GeneBlazer FRET assay				Bioorg Med Chem Lett 27: 2281-2285 (2017) Article DOI: 10.1016/j.bmcl.2017.04.049 BindingDB Entry DOI: 10.7270/Q2Q52S21
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50249521 (CHEMBL4096346) Show SMILES CCc1cc2OCOc2cc1Cn1c(C(O)=O)c(Cc2cccc(c2)-c2nnn[nH]2)c(=O)c2cc(O)ccc12 Show InChI InChI=1S/C28H23N5O6/c1-2-16-10-23-24(39-14-38-23)11-18(16)13-33-22-7-6-19(34)12-20(22)26(35)21(25(33)28(36)37)9-15-4-3-5-17(8-15)27-29-31-32-30-27/h3-8,10-12,34H,2,9,13-14H2,1H3,(H,36,37)(H,29,30,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.62E+4	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Antagonist activity at ETB receptor (unknown origin) expressed in HEK293T cells measured after 30 mins by CCF4-AM dye based GeneBlazer FRET assay				Bioorg Med Chem Lett 27: 2281-2285 (2017) Article DOI: 10.1016/j.bmcl.2017.04.049 BindingDB Entry DOI: 10.7270/Q2Q52S21
					More data for this Ligand-Target Pair