Compile Data Set for Download or QSAR

Found 47 hits Enz. Inhib. hit(s) with all data for entry = 50011422   

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))	BDBM50106407 (1-Dibutylcarbamoylmethyl-4-(2,3-dihydro-benzofuran...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(C)c(F)c1)C(O)=O)c1ccc2OCCc2c1 Show InChI InChI=1S/C30H39FN2O4/c1-4-6-13-32(14-7-5-2)27(34)19-33-18-24(21-10-11-26-22(16-21)12-15-37-26)28(30(35)36)29(33)23-9-8-20(3)25(31)17-23/h8-11,16-17,24,28-29H,4-7,12-15,18-19H2,1-3H3,(H,35,36)/t24-,28-,29+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity against human Endothelin A receptor				J Med Chem 44: 3978-84 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PR2
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50051007 ((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbam...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C29H38N2O6/c1-4-6-14-30(15-7-5-2)26(32)18-31-17-23(21-10-13-24-25(16-21)37-19-36-24)27(29(33)34)28(31)20-8-11-22(35-3)12-9-20/h8-13,16,23,27-28H,4-7,14-15,17-19H2,1-3H3,(H,33,34)/t23-,27-,28+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.0470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description binding affinity against human Endothelin A receptor				J Med Chem 44: 3978-84 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PR2
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50066391 ((2S,3R,4S)-1-Dibutylcarbamoylmethyl-2-(2,2-dimethy...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1CC(C)(C)CCC)C(O)=O)c1cc2OCOc2c(OC)c1 Show InChI InChI=1S/C30H48N2O6/c1-7-10-13-31(14-11-8-2)26(33)19-32-18-22(21-15-24(36-6)28-25(16-21)37-20-38-28)27(29(34)35)23(32)17-30(4,5)12-9-3/h15-16,22-23,27H,7-14,17-20H2,1-6H3,(H,34,35)/t22-,23+,27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity against endothelin A receptor in MMQ cells in rat				J Med Chem 44: 3978-84 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PR2
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50106408 (4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)c(F)c1)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C29H37FN2O6/c1-4-6-12-31(13-7-5-2)26(33)17-32-16-21(19-8-11-24-25(15-19)38-18-37-24)27(29(34)35)28(32)20-9-10-23(36-3)22(30)14-20/h8-11,14-15,21,27-28H,4-7,12-13,16-18H2,1-3H3,(H,34,35)/t21-,27-,28+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity against endothelin A receptor in MMQ cells in rat				J Med Chem 44: 3978-84 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PR2
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50051007 ((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbam...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C29H38N2O6/c1-4-6-14-30(15-7-5-2)26(32)18-31-17-23(21-10-13-24-25(16-21)37-19-36-24)27(29(33)34)28(31)20-8-11-22(35-3)12-9-20/h8-13,16,23,27-28H,4-7,14-15,17-19H2,1-3H3,(H,33,34)/t23-,27-,28+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human Endothelin A receptor				J Med Chem 44: 3978-84 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PR2
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50106403 (4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)c(OC)c1)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C30H40N2O7/c1-5-7-13-31(14-8-6-2)27(33)18-32-17-22(20-9-12-24-26(15-20)39-19-38-24)28(30(34)35)29(32)21-10-11-23(36-3)25(16-21)37-4/h9-12,15-16,22,28-29H,5-8,13-14,17-19H2,1-4H3,(H,34,35)/t22-,28-,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity against endothelin A receptor in MMQ cells in rat				J Med Chem 44: 3978-84 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PR2
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50106400 (4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(C)cc1)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C29H38N2O5/c1-4-6-14-30(15-7-5-2)26(32)18-31-17-23(22-12-13-24-25(16-22)36-19-35-24)27(29(33)34)28(31)21-10-8-20(3)9-11-21/h8-13,16,23,27-28H,4-7,14-15,17-19H2,1-3H3,(H,33,34)/t23-,27-,28+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity against endothelin A receptor in MMQ cells in rat				J Med Chem 44: 3978-84 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PR2
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50106402 (4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(CC)cc1)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C30H40N2O5/c1-4-7-15-31(16-8-5-2)27(33)19-32-18-24(23-13-14-25-26(17-23)37-20-36-25)28(30(34)35)29(32)22-11-9-21(6-3)10-12-22/h9-14,17,24,28-29H,4-8,15-16,18-20H2,1-3H3,(H,34,35)/t24-,28-,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity against endothelin A receptor in MMQ cells in rat				J Med Chem 44: 3978-84 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PR2
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50106407 (1-Dibutylcarbamoylmethyl-4-(2,3-dihydro-benzofuran...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(C)c(F)c1)C(O)=O)c1ccc2OCCc2c1 Show InChI InChI=1S/C30H39FN2O4/c1-4-6-13-32(14-7-5-2)27(34)19-33-18-24(21-10-11-26-22(16-21)12-15-37-26)28(30(35)36)29(33)23-9-8-20(3)25(31)17-23/h8-11,16-17,24,28-29H,4-7,12-15,18-19H2,1-3H3,(H,35,36)/t24-,28-,29+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity against endothelin A receptor in MMQ cells in rat				J Med Chem 44: 3978-84 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PR2
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50106407 (1-Dibutylcarbamoylmethyl-4-(2,3-dihydro-benzofuran...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(C)c(F)c1)C(O)=O)c1ccc2OCCc2c1 Show InChI InChI=1S/C30H39FN2O4/c1-4-6-13-32(14-7-5-2)27(34)19-33-18-24(21-10-11-26-22(16-21)12-15-37-26)28(30(35)36)29(33)23-9-8-20(3)25(31)17-23/h8-11,16-17,24,28-29H,4-7,12-15,18-19H2,1-3H3,(H,35,36)/t24-,28-,29+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity against endothelin A receptor in MMQ cells in rat				J Med Chem 44: 3978-84 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PR2
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50051007 ((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbam...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C29H38N2O6/c1-4-6-14-30(15-7-5-2)26(32)18-31-17-23(21-10-13-24-25(16-21)37-19-36-24)27(29(33)34)28(31)20-8-11-22(35-3)12-9-20/h8-13,16,23,27-28H,4-7,14-15,17-19H2,1-3H3,(H,33,34)/t23-,27-,28+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.360	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity against Endothelin A receptor in MMQ cells in rat				J Med Chem 44: 3978-84 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PR2
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50056071 ((2R,3R,4S)-4-Benzofuran-5-yl-1-dibutylcarbamoylmet...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2occc2c1 Show InChI InChI=1S/C30H38N2O5/c1-4-6-15-31(16-7-5-2)27(33)20-32-19-25(22-10-13-26-23(18-22)14-17-37-26)28(30(34)35)29(32)21-8-11-24(36-3)12-9-21/h8-14,17-18,25,28-29H,4-7,15-16,19-20H2,1-3H3,(H,34,35)/t25-,28-,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.480	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity against endothelin A receptor in MMQ cells in rat				J Med Chem 44: 3978-84 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PR2
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50066391 ((2S,3R,4S)-1-Dibutylcarbamoylmethyl-2-(2,2-dimethy...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1CC(C)(C)CCC)C(O)=O)c1cc2OCOc2c(OC)c1 Show InChI InChI=1S/C30H48N2O6/c1-7-10-13-31(14-11-8-2)26(33)19-32-18-22(21-15-24(36-6)28-25(16-21)37-20-38-28)27(29(34)35)23(32)17-30(4,5)12-9-3/h15-16,22-23,27H,7-14,17-20H2,1-6H3,(H,34,35)/t22-,23+,27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.490	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human endothelin A receptor				J Med Chem 44: 3978-84 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PR2
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50056066 ((2R,3R,4S)-1-Dibutylcarbamoylmethyl-4-(2,3-dihydro...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCCc2c1 Show InChI InChI=1S/C30H40N2O5/c1-4-6-15-31(16-7-5-2)27(33)20-32-19-25(22-10-13-26-23(18-22)14-17-37-26)28(30(34)35)29(32)21-8-11-24(36-3)12-9-21/h8-13,18,25,28-29H,4-7,14-17,19-20H2,1-3H3,(H,34,35)/t25-,28-,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity against endothelin A receptor in MMQ cells in rat				J Med Chem 44: 3978-84 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PR2
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50106399 (1-Dibutylcarbamoylmethyl-4-(2,3-dihydro-benzofuran...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(CC)c(F)c1)C(O)=O)c1ccc2OCCc2c1 Show InChI InChI=1S/C31H41FN2O4/c1-4-7-14-33(15-8-5-2)28(35)20-34-19-25(22-11-12-27-23(17-22)13-16-38-27)29(31(36)37)30(34)24-10-9-21(6-3)26(32)18-24/h9-12,17-18,25,29-30H,4-8,13-16,19-20H2,1-3H3,(H,36,37)/t25-,29-,30+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.760	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity against endothelin A receptor in MMQ cells in rat				J Med Chem 44: 3978-84 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PR2
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50106405 (1-Dibutylcarbamoylmethyl-4-(2,3-dihydro-benzofuran...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(C)cc1)C(O)=O)c1ccc2OCCc2c1 Show InChI InChI=1S/C30H40N2O4/c1-4-6-15-31(16-7-5-2)27(33)20-32-19-25(23-12-13-26-24(18-23)14-17-36-26)28(30(34)35)29(32)22-10-8-21(3)9-11-22/h8-13,18,25,28-29H,4-7,14-17,19-20H2,1-3H3,(H,34,35)/t25-,28-,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.780	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity against endothelin A receptor in MMQ cells in rat				J Med Chem 44: 3978-84 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PR2
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50056057 ((2R,3R,4S)-1-Dibutylcarbamoylmethyl-4-(2,3-dihydro...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCCOc2c1 Show InChI InChI=1S/C30H40N2O6/c1-4-6-14-31(15-7-5-2)27(33)20-32-19-24(22-10-13-25-26(18-22)38-17-16-37-25)28(30(34)35)29(32)21-8-11-23(36-3)12-9-21/h8-13,18,24,28-29H,4-7,14-17,19-20H2,1-3H3,(H,34,35)/t24-,28-,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.850	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity against endothelin A receptor in MMQ cells in rat				J Med Chem 44: 3978-84 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PR2
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50106410 (1-Dibutylcarbamoylmethyl-4-(2,3-dihydro-benzo[1,4]...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(CC)c(F)c1)C(O)=O)c1ccc2OCCOc2c1 Show InChI InChI=1S/C31H41FN2O5/c1-4-7-13-33(14-8-5-2)28(35)20-34-19-24(22-11-12-26-27(18-22)39-16-15-38-26)29(31(36)37)30(34)23-10-9-21(6-3)25(32)17-23/h9-12,17-18,24,29-30H,4-8,13-16,19-20H2,1-3H3,(H,36,37)/t24-,29-,30+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.870	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity against endothelin A receptor in MMQ cells in rat				J Med Chem 44: 3978-84 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PR2
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50106404 (1-Dibutylcarbamoylmethyl-4-(2,3-dihydro-benzofuran...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(CC)cc1)C(O)=O)c1ccc2OCCc2c1 Show InChI InChI=1S/C31H42N2O4/c1-4-7-16-32(17-8-5-2)28(34)21-33-20-26(24-13-14-27-25(19-24)15-18-37-27)29(31(35)36)30(33)23-11-9-22(6-3)10-12-23/h9-14,19,26,29-30H,4-8,15-18,20-21H2,1-3H3,(H,35,36)/t26-,29-,30+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.920	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity against endothelin A receptor in MMQ cells in rat				J Med Chem 44: 3978-84 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PR2
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50106401 (4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(CCC)cc1)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C31H42N2O5/c1-4-7-16-32(17-8-5-2)28(34)20-33-19-25(24-14-15-26-27(18-24)38-21-37-26)29(31(35)36)30(33)23-12-10-22(9-6-3)11-13-23/h10-15,18,25,29-30H,4-9,16-17,19-21H2,1-3H3,(H,35,36)/t25-,29-,30+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.06	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity against endothelin A receptor in MMQ cells in rat				J Med Chem 44: 3978-84 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PR2
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50056081 ((2R,3R,4S)-1-Dibutylcarbamoylmethyl-4-(2,3-dihydro...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2CCOc2c1 Show InChI InChI=1S/C30H40N2O5/c1-4-6-15-31(16-7-5-2)27(33)20-32-19-25(23-9-8-21-14-17-37-26(21)18-23)28(30(34)35)29(32)22-10-12-24(36-3)13-11-22/h8-13,18,25,28-29H,4-7,14-17,19-20H2,1-3H3,(H,34,35)/t25-,28-,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity against endothelin A receptor in MMQ cells in rat				J Med Chem 44: 3978-84 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PR2
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50106406 (4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(F)c(F)c1)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C28H34F2N2O5/c1-3-5-11-31(12-6-4-2)25(33)16-32-15-20(18-8-10-23-24(14-18)37-17-36-23)26(28(34)35)27(32)19-7-9-21(29)22(30)13-19/h7-10,13-14,20,26-27H,3-6,11-12,15-17H2,1-2H3,(H,34,35)/t20-,26-,27+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.38	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity against endothelin A receptor in MMQ cells in rat				J Med Chem 44: 3978-84 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PR2
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50056078 ((2R,3R,4S)-1-Dibutylcarbamoylmethyl-4-indan-5-yl-2...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2CCCc2c1 Show InChI InChI=1S/C31H42N2O4/c1-4-6-17-32(18-7-5-2)28(34)21-33-20-27(25-12-11-22-9-8-10-24(22)19-25)29(31(35)36)30(33)23-13-15-26(37-3)16-14-23/h11-16,19,27,29-30H,4-10,17-18,20-21H2,1-3H3,(H,35,36)/t27-,29-,30+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity against endothelin A receptor in MMQ cells in rat				J Med Chem 44: 3978-84 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PR2
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50106409 (4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(cc1)C(F)(F)F)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C29H35F3N2O5/c1-3-5-13-33(14-6-4-2)25(35)17-34-16-22(20-9-12-23-24(15-20)39-18-38-23)26(28(36)37)27(34)19-7-10-21(11-8-19)29(30,31)32/h7-12,15,22,26-27H,3-6,13-14,16-18H2,1-2H3,(H,36,37)/t22-,26-,27+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.28	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity against endothelin A receptor in MMQ cells in rat				J Med Chem 44: 3978-84 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PR2
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50106398 (1-Dibutylcarbamoylmethyl-4-(2,3-dihydro-benzo[1,4]...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(CC)cc1)C(O)=O)c1ccc2OCCOc2c1 Show InChI InChI=1S/C31H42N2O5/c1-4-7-15-32(16-8-5-2)28(34)21-33-20-25(24-13-14-26-27(19-24)38-18-17-37-26)29(31(35)36)30(33)23-11-9-22(6-3)10-12-23/h9-14,19,25,29-30H,4-8,15-18,20-21H2,1-3H3,(H,35,36)/t25-,29-,30+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity against endothelin A receptor in MMQ cells in rat				J Med Chem 44: 3978-84 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PR2
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50106408 (4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)c(F)c1)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C29H37FN2O6/c1-4-6-12-31(13-7-5-2)26(33)17-32-16-21(19-8-11-24-25(15-19)38-18-37-24)27(29(34)35)28(32)20-9-10-23(36-3)22(30)14-20/h8-11,14-15,21,27-28H,4-7,12-13,16-18H2,1-3H3,(H,34,35)/t21-,27-,28+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity against endothelin B receptor in porcine cerebellar tissue				J Med Chem 44: 3978-84 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PR2
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50051007 ((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbam...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C29H38N2O6/c1-4-6-14-30(15-7-5-2)26(32)18-31-17-23(21-10-13-24-25(16-21)37-19-36-24)27(29(33)34)28(31)20-8-11-22(35-3)12-9-20/h8-13,16,23,27-28H,4-7,14-15,17-19H2,1-3H3,(H,33,34)/t23-,27-,28+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human endothelin B receptor				J Med Chem 44: 3978-84 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PR2
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50106403 (4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)c(OC)c1)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C30H40N2O7/c1-5-7-13-31(14-8-6-2)27(33)18-32-17-22(20-9-12-24-26(15-20)39-19-38-24)28(30(34)35)29(32)21-10-11-23(36-3)25(16-21)37-4/h9-12,15-16,22,28-29H,5-8,13-14,17-19H2,1-4H3,(H,34,35)/t22-,28-,29+/m1/s1	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
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity against endothelin B receptor in porcine cerebellar tissue				J Med Chem 44: 3978-84 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PR2
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50051007 ((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbam...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C29H38N2O6/c1-4-6-14-30(15-7-5-2)26(32)18-31-17-23(21-10-13-24-25(16-21)37-19-36-24)27(29(33)34)28(31)20-8-11-22(35-3)12-9-20/h8-13,16,23,27-28H,4-7,14-15,17-19H2,1-3H3,(H,33,34)/t23-,27-,28+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	515	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity against endothelin B receptor in porcine cerebellar tissue				J Med Chem 44: 3978-84 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PR2
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50106410 (1-Dibutylcarbamoylmethyl-4-(2,3-dihydro-benzo[1,4]...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(CC)c(F)c1)C(O)=O)c1ccc2OCCOc2c1 Show InChI InChI=1S/C31H41FN2O5/c1-4-7-13-33(14-8-5-2)28(35)20-34-19-24(22-11-12-26-27(18-22)39-16-15-38-26)29(31(36)37)30(34)23-10-9-21(6-3)25(32)17-23/h9-12,17-18,24,29-30H,4-8,13-16,19-20H2,1-3H3,(H,36,37)/t24-,29-,30+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	950	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity against human endothelin B receptor in CHO cells				J Med Chem 44: 3978-84 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PR2
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50056081 ((2R,3R,4S)-1-Dibutylcarbamoylmethyl-4-(2,3-dihydro...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2CCOc2c1 Show InChI InChI=1S/C30H40N2O5/c1-4-6-15-31(16-7-5-2)27(33)20-32-19-25(23-9-8-21-14-17-37-26(21)18-23)28(30(34)35)29(32)22-10-12-24(36-3)13-11-22/h8-13,18,25,28-29H,4-7,14-17,19-20H2,1-3H3,(H,34,35)/t25-,28-,29+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	960	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity against endothelin B receptor in porcine cerebellar tissue				J Med Chem 44: 3978-84 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PR2
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50056057 ((2R,3R,4S)-1-Dibutylcarbamoylmethyl-4-(2,3-dihydro...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCCOc2c1 Show InChI InChI=1S/C30H40N2O6/c1-4-6-14-31(15-7-5-2)27(33)20-32-19-24(22-10-13-25-26(18-22)38-17-16-37-25)28(30(34)35)29(32)21-8-11-23(36-3)12-9-21/h8-13,18,24,28-29H,4-7,14-17,19-20H2,1-3H3,(H,34,35)/t24-,28-,29+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	984	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity against endothelin B receptor in porcine cerebellar tissue				J Med Chem 44: 3978-84 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PR2
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50106406 (4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(F)c(F)c1)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C28H34F2N2O5/c1-3-5-11-31(12-6-4-2)25(33)16-32-15-20(18-8-10-23-24(14-18)37-17-36-23)26(28(34)35)27(32)19-7-9-21(29)22(30)13-19/h7-10,13-14,20,26-27H,3-6,11-12,15-17H2,1-2H3,(H,34,35)/t20-,26-,27+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity against endothelin B receptor in porcine cerebellar tissue				J Med Chem 44: 3978-84 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PR2
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50106401 (4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(CCC)cc1)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C31H42N2O5/c1-4-7-16-32(17-8-5-2)28(34)20-33-19-25(24-14-15-26-27(18-24)38-21-37-26)29(31(35)36)30(33)23-12-10-22(9-6-3)11-13-23/h10-15,18,25,29-30H,4-9,16-17,19-21H2,1-3H3,(H,35,36)/t25-,29-,30+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity against endothelin B receptor in porcine cerebellar tissue				J Med Chem 44: 3978-84 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PR2
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50106402 (4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(CC)cc1)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C30H40N2O5/c1-4-7-15-31(16-8-5-2)27(33)19-32-18-24(23-13-14-25-26(17-23)37-20-36-25)28(30(34)35)29(32)22-11-9-21(6-3)10-12-22/h9-14,17,24,28-29H,4-8,15-16,18-20H2,1-3H3,(H,34,35)/t24-,28-,29+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity against endothelin B receptor in porcine cerebellar tissue				J Med Chem 44: 3978-84 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PR2
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50106400 (4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(C)cc1)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C29H38N2O5/c1-4-6-14-30(15-7-5-2)26(32)18-31-17-23(22-12-13-24-25(16-22)36-19-35-24)27(29(33)34)28(31)21-10-8-20(3)9-11-21/h8-13,16,23,27-28H,4-7,14-15,17-19H2,1-3H3,(H,33,34)/t23-,27-,28+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity against endothelin B receptor in porcine cerebellar tissue				J Med Chem 44: 3978-84 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PR2
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50056066 ((2R,3R,4S)-1-Dibutylcarbamoylmethyl-4-(2,3-dihydro...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCCc2c1 Show InChI InChI=1S/C30H40N2O5/c1-4-6-15-31(16-7-5-2)27(33)20-32-19-25(22-10-13-26-23(18-22)14-17-37-26)28(30(34)35)29(32)21-8-11-24(36-3)12-9-21/h8-13,18,25,28-29H,4-7,14-17,19-20H2,1-3H3,(H,34,35)/t25-,28-,29+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.67E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity against endothelin B receptor in porcine cerebellar tissue				J Med Chem 44: 3978-84 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PR2
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50106399 (1-Dibutylcarbamoylmethyl-4-(2,3-dihydro-benzofuran...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(CC)c(F)c1)C(O)=O)c1ccc2OCCc2c1 Show InChI InChI=1S/C31H41FN2O4/c1-4-7-14-33(15-8-5-2)28(35)20-34-19-25(22-11-12-27-23(17-22)13-16-38-27)29(31(36)37)30(34)24-10-9-21(6-3)26(32)18-24/h9-12,17-18,25,29-30H,4-8,13-16,19-20H2,1-3H3,(H,36,37)/t25-,29-,30+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity against human endothelin B receptor in CHO cells				J Med Chem 44: 3978-84 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PR2
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50106407 (1-Dibutylcarbamoylmethyl-4-(2,3-dihydro-benzofuran...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(C)c(F)c1)C(O)=O)c1ccc2OCCc2c1 Show InChI InChI=1S/C30H39FN2O4/c1-4-6-13-32(14-7-5-2)27(34)19-33-18-24(21-10-11-26-22(16-21)12-15-37-26)28(30(35)36)29(33)23-9-8-20(3)25(31)17-23/h8-11,16-17,24,28-29H,4-7,12-15,18-19H2,1-3H3,(H,35,36)/t24-,28-,29+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity against human endothelin B receptor in CHO cells				J Med Chem 44: 3978-84 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PR2
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50106407 (1-Dibutylcarbamoylmethyl-4-(2,3-dihydro-benzofuran...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(C)c(F)c1)C(O)=O)c1ccc2OCCc2c1 Show InChI InChI=1S/C30H39FN2O4/c1-4-6-13-32(14-7-5-2)27(34)19-33-18-24(21-10-11-26-22(16-21)12-15-37-26)28(30(35)36)29(33)23-9-8-20(3)25(31)17-23/h8-11,16-17,24,28-29H,4-7,12-15,18-19H2,1-3H3,(H,35,36)/t24-,28-,29+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity against human endothelin B receptor in CHO cells				J Med Chem 44: 3978-84 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PR2
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50056071 ((2R,3R,4S)-4-Benzofuran-5-yl-1-dibutylcarbamoylmet...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2occc2c1 Show InChI InChI=1S/C30H38N2O5/c1-4-6-15-31(16-7-5-2)27(33)20-32-19-25(22-10-13-26-23(18-22)14-17-37-26)28(30(34)35)29(32)21-8-11-24(36-3)12-9-21/h8-14,17-18,25,28-29H,4-7,15-16,19-20H2,1-3H3,(H,34,35)/t25-,28-,29+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity against endothelin B receptor in porcine cerebellar tissue				J Med Chem 44: 3978-84 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PR2
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50106398 (1-Dibutylcarbamoylmethyl-4-(2,3-dihydro-benzo[1,4]...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(CC)cc1)C(O)=O)c1ccc2OCCOc2c1 Show InChI InChI=1S/C31H42N2O5/c1-4-7-15-32(16-8-5-2)28(34)21-33-20-25(24-13-14-26-27(19-24)38-18-17-37-26)29(31(35)36)30(33)23-11-9-22(6-3)10-12-23/h9-14,19,25,29-30H,4-8,15-18,20-21H2,1-3H3,(H,35,36)/t25-,29-,30+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity against endothelin B receptor in porcine cerebellar tissue				J Med Chem 44: 3978-84 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PR2
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50056078 ((2R,3R,4S)-1-Dibutylcarbamoylmethyl-4-indan-5-yl-2...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2CCCc2c1 Show InChI InChI=1S/C31H42N2O4/c1-4-6-17-32(18-7-5-2)28(34)21-33-20-27(25-12-11-22-9-8-10-24(22)19-25)29(31(35)36)30(33)23-13-15-26(37-3)16-14-23/h11-16,19,27,29-30H,4-10,17-18,20-21H2,1-3H3,(H,35,36)/t27-,29-,30+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity against endothelin B receptor in porcine cerebellar tissue				J Med Chem 44: 3978-84 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PR2
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50106404 (1-Dibutylcarbamoylmethyl-4-(2,3-dihydro-benzofuran...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(CC)cc1)C(O)=O)c1ccc2OCCc2c1 Show InChI InChI=1S/C31H42N2O4/c1-4-7-16-32(17-8-5-2)28(34)21-33-20-26(24-13-14-27-25(19-24)15-18-37-27)29(31(35)36)30(33)23-11-9-22(6-3)10-12-23/h9-14,19,26,29-30H,4-8,15-18,20-21H2,1-3H3,(H,35,36)/t26-,29-,30+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity against endothelin B receptor in porcine cerebellar tissue				J Med Chem 44: 3978-84 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PR2
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50106405 (1-Dibutylcarbamoylmethyl-4-(2,3-dihydro-benzofuran...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(C)cc1)C(O)=O)c1ccc2OCCc2c1 Show InChI InChI=1S/C30H40N2O4/c1-4-6-15-31(16-7-5-2)27(33)20-32-19-25(23-12-13-26-24(18-23)14-17-36-26)28(30(34)35)29(32)22-10-8-21(3)9-11-22/h8-13,18,25,28-29H,4-7,14-17,19-20H2,1-3H3,(H,34,35)/t25-,28-,29+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity against endothelin B receptor in porcine cerebellar tissue				J Med Chem 44: 3978-84 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PR2
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50066391 ((2S,3R,4S)-1-Dibutylcarbamoylmethyl-2-(2,2-dimethy...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1CC(C)(C)CCC)C(O)=O)c1cc2OCOc2c(OC)c1 Show InChI InChI=1S/C30H48N2O6/c1-7-10-13-31(14-11-8-2)26(33)19-32-18-22(21-15-24(36-6)28-25(16-21)37-20-38-28)27(29(34)35)23(32)17-30(4,5)12-9-3/h15-16,22-23,27H,7-14,17-20H2,1-6H3,(H,34,35)/t22-,23+,27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human endothelin B receptor				J Med Chem 44: 3978-84 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PR2
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50106409 (4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(cc1)C(F)(F)F)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C29H35F3N2O5/c1-3-5-13-33(14-6-4-2)25(35)17-34-16-22(20-9-12-23-24(15-20)39-18-38-23)26(28(36)37)27(34)19-7-10-21(11-8-19)29(30,31)32/h7-12,15,22,26-27H,3-6,13-14,16-18H2,1-2H3,(H,36,37)/t22-,26-,27+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.43E+4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity against endothelin B receptor in porcine cerebellar tissue				J Med Chem 44: 3978-84 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PR2
					More data for this Ligand-Target Pair