Compile Data Set for Download or QSAR

Found 56 hits Enz. Inhib. hit(s) with all data for entry = 50010378   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Endothelin-1 receptor (RAT)	BDBM50093978 (2-(4-Carboxy-cyclohexylmethyl)-4-(6-chloro-benzo[1...) Show SMILES OC(=O)C1CCC(Cn2nc(c(Cc3cc4OCOc4cc3Cl)c2C(O)=O)-c2cccs2)CC1 |(3.14,-11.22,;4.56,-11.81,;4.77,-13.34,;5.78,-10.87,;7.2,-11.46,;8.43,-10.52,;8.23,-8.98,;9.53,-8.16,;9.46,-6.62,;8.16,-5.78,;8.57,-4.28,;10.12,-4.21,;10.96,-2.92,;12.48,-2.92,;13.25,-4.24,;14.81,-4.24,;15.84,-5.36,;17.23,-4.73,;17.06,-3.21,;15.56,-2.9,;14.77,-1.57,;13.25,-1.59,;12.46,-.26,;10.66,-5.65,;12.15,-6.06,;12.55,-7.55,;13.25,-4.98,;7.67,-3.04,;8.15,-1.57,;6.9,-.65,;5.66,-1.57,;6.13,-3.04,;6.81,-8.41,;5.58,-9.35,)| Show InChI InChI=1S/C24H23ClN2O6S/c25-17-10-19-18(32-12-33-19)9-15(17)8-16-21(20-2-1-7-34-20)26-27(22(16)24(30)31)11-13-3-5-14(6-4-13)23(28)29/h1-2,7,9-10,13-14H,3-6,8,11-12H2,(H,28,29)(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.810	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description In vitro binding affinity to endothelin A receptor in rat heart ventricles				Bioorg Med Chem Lett 10: 2575-8 (2001) BindingDB Entry DOI: 10.7270/Q22R3QW9
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50093997 (4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-cyclohe...) Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1CC1CCCCC1)-c1cccs1 Show InChI InChI=1S/C23H23ClN2O4S/c24-17-11-19-18(29-13-30-19)10-15(17)9-16-21(20-7-4-8-31-20)25-26(22(16)23(27)28)12-14-5-2-1-3-6-14/h4,7-8,10-11,14H,1-3,5-6,9,12-13H2,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description In vitro binding affinity to endothelin A receptor in rat heart ventricles				Bioorg Med Chem Lett 10: 2575-8 (2001) BindingDB Entry DOI: 10.7270/Q22R3QW9
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50093996 (4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-cyclohe...) Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1CC1CCCCC1)-c1ccsc1 Show InChI InChI=1S/C23H23ClN2O4S/c24-18-10-20-19(29-13-30-20)9-16(18)8-17-21(15-6-7-31-12-15)25-26(22(17)23(27)28)11-14-4-2-1-3-5-14/h6-7,9-10,12,14H,1-5,8,11,13H2,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description In vitro binding affinity to endothelin A receptor in rat heart ventricles				Bioorg Med Chem Lett 10: 2575-8 (2001) BindingDB Entry DOI: 10.7270/Q22R3QW9
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50094000 (2-(3-Carboxy-cyclohexylmethyl)-4-(6-chloro-benzo[1...) Show SMILES OC(=O)C1CCCC(Cn2nc(c(Cc3cc4OCOc4cc3Cl)c2C(O)=O)-c2cccs2)C1 Show InChI InChI=1S/C24H23ClN2O6S/c25-17-10-19-18(32-12-33-19)9-15(17)8-16-21(20-5-2-6-34-20)26-27(22(16)24(30)31)11-13-3-1-4-14(7-13)23(28)29/h2,5-6,9-10,13-14H,1,3-4,7-8,11-12H2,(H,28,29)(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description In vitro binding affinity to endothelin A receptor in rat heart ventricles				Bioorg Med Chem Lett 10: 2575-8 (2001) BindingDB Entry DOI: 10.7270/Q22R3QW9
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50093987 (4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-cyclohe...) Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1CC1CCCCC1)-c1ccco1 Show InChI InChI=1S/C23H23ClN2O5/c24-17-11-20-19(30-13-31-20)10-15(17)9-16-21(18-7-4-8-29-18)25-26(22(16)23(27)28)12-14-5-2-1-3-6-14/h4,7-8,10-11,14H,1-3,5-6,9,12-13H2,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description In vitro binding affinity to endothelin A receptor in rat heart ventricles				Bioorg Med Chem Lett 10: 2575-8 (2001) BindingDB Entry DOI: 10.7270/Q22R3QW9
					More data for this Ligand-Target Pair
Endothelin receptor type B (RAT)	BDBM50093997 (4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-cyclohe...) Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1CC1CCCCC1)-c1cccs1 Show InChI InChI=1S/C23H23ClN2O4S/c24-17-11-19-18(29-13-30-19)10-15(17)9-16-21(20-7-4-8-31-20)25-26(22(16)23(27)28)12-14-5-2-1-3-6-14/h4,7-8,10-11,14H,1-3,5-6,9,12-13H2,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description In vitro binding affinity to endothelin B receptor in rat cerebellum				Bioorg Med Chem Lett 10: 2575-8 (2001) BindingDB Entry DOI: 10.7270/Q22R3QW9
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50093985 (2-(6-Carboxy-4H-benzo[1,3]dioxin-8-ylmethyl)-4-(6-...) Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1Cc1cc(cc2COCOc12)C(O)=O)-c1ccccc1 Show InChI InChI=1S/C28H21ClN2O8/c29-21-10-23-22(37-14-38-23)9-16(21)8-20-24(15-4-2-1-3-5-15)30-31(25(20)28(34)35)11-18-6-17(27(32)33)7-19-12-36-13-39-26(18)19/h1-7,9-10H,8,11-14H2,(H,32,33)(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description In vitro binding affinity to endothelin A receptor in rat heart ventricles				Bioorg Med Chem Lett 10: 2575-8 (2001) BindingDB Entry DOI: 10.7270/Q22R3QW9
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50093999 (2-(3-Carboxy-cyclohexylmethyl)-4-(6-chloro-benzo[1...) Show SMILES OC(=O)C1CCCC(Cn2nc(c(Cc3cc4OCOc4cc3Cl)c2C(O)=O)-c2ccccc2)C1 Show InChI InChI=1S/C26H25ClN2O6/c27-20-12-22-21(34-14-35-22)11-18(20)10-19-23(16-6-2-1-3-7-16)28-29(24(19)26(32)33)13-15-5-4-8-17(9-15)25(30)31/h1-3,6-7,11-12,15,17H,4-5,8-10,13-14H2,(H,30,31)(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description In vitro binding affinity to endothelin A receptor in rat heart ventricles				Bioorg Med Chem Lett 10: 2575-8 (2001) BindingDB Entry DOI: 10.7270/Q22R3QW9
					More data for this Ligand-Target Pair
Endothelin receptor type B (RAT)	BDBM50093993 (4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-cyclohe...) Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1CC1CCCCC1)-c1ccccc1 Show InChI InChI=1S/C25H25ClN2O4/c26-20-13-22-21(31-15-32-22)12-18(20)11-19-23(17-9-5-2-6-10-17)27-28(24(19)25(29)30)14-16-7-3-1-4-8-16/h2,5-6,9-10,12-13,16H,1,3-4,7-8,11,14-15H2,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description In vitro binding affinity to endothelin B receptor in rat cerebellum				Bioorg Med Chem Lett 10: 2575-8 (2001) BindingDB Entry DOI: 10.7270/Q22R3QW9
					More data for this Ligand-Target Pair
Endothelin receptor type B (RAT)	BDBM50093996 (4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-cyclohe...) Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1CC1CCCCC1)-c1ccsc1 Show InChI InChI=1S/C23H23ClN2O4S/c24-18-10-20-19(29-13-30-20)9-16(18)8-17-21(15-6-7-31-12-15)25-26(22(17)23(27)28)11-14-4-2-1-3-5-14/h6-7,9-10,12,14H,1-5,8,11,13H2,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description In vitro binding affinity to endothelin B receptor in rat cerebellum				Bioorg Med Chem Lett 10: 2575-8 (2001) BindingDB Entry DOI: 10.7270/Q22R3QW9
					More data for this Ligand-Target Pair
Endothelin receptor type B (RAT)	BDBM50093995 (2-(2-Carboxymethoxy-cyclohexylmethyl)-4-(6-chloro-...) Show SMILES OC(=O)COC1CCCCC1Cn1nc(c(Cc2cc3OCOc3cc2Cl)c1C(O)=O)-c1ccccc1 Show InChI InChI=1S/C27H27ClN2O7/c28-20-12-23-22(36-15-37-23)11-18(20)10-19-25(16-6-2-1-3-7-16)29-30(26(19)27(33)34)13-17-8-4-5-9-21(17)35-14-24(31)32/h1-3,6-7,11-12,17,21H,4-5,8-10,13-15H2,(H,31,32)(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description In vitro binding affinity to endothelin B receptor in rat cerebellum				Bioorg Med Chem Lett 10: 2575-8 (2001) BindingDB Entry DOI: 10.7270/Q22R3QW9
					More data for this Ligand-Target Pair
Endothelin receptor type B (RAT)	BDBM50093984 (2-(2-Carboxymethoxy-benzyl)-4-(6-chloro-benzo[1,3]...) Show SMILES OC(=O)COc1ccccc1Cn1nc(c(Cc2cc3OCOc3cc2Cl)c1C(O)=O)-c1ccccc1 Show InChI InChI=1S/C27H21ClN2O7/c28-20-12-23-22(36-15-37-23)11-18(20)10-19-25(16-6-2-1-3-7-16)29-30(26(19)27(33)34)13-17-8-4-5-9-21(17)35-14-24(31)32/h1-9,11-12H,10,13-15H2,(H,31,32)(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description In vitro binding affinity to endothelin B receptor in rat cerebellum				Bioorg Med Chem Lett 10: 2575-8 (2001) BindingDB Entry DOI: 10.7270/Q22R3QW9
					More data for this Ligand-Target Pair
Endothelin receptor type B (RAT)	BDBM50094004 (4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-cyclohe...) Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1CC1CCCCC1)-c1ccccn1 Show InChI InChI=1S/C24H24ClN3O4/c25-18-12-21-20(31-14-32-21)11-16(18)10-17-22(19-8-4-5-9-26-19)27-28(23(17)24(29)30)13-15-6-2-1-3-7-15/h4-5,8-9,11-12,15H,1-3,6-7,10,13-14H2,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description In vitro binding affinity to endothelin B receptor in rat cerebellum				Bioorg Med Chem Lett 10: 2575-8 (2001) BindingDB Entry DOI: 10.7270/Q22R3QW9
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50093980 (2-Adamantan-1-ylmethyl-4-(6-chloro-benzo[1,3]dioxo...) Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1CC12CC3CC(CC(C3)C1)C2)-c1ccccc1 |TLB:27:26:29:22.21.23,27:22:29:26.28.25,23:24:28:22.21.27,THB:23:22:28:24.29.25,25:26:21:24.29.23,25:24:21:26.28.27| Show InChI InChI=1S/C29H29ClN2O4/c30-23-11-25-24(35-16-36-25)10-21(23)9-22-26(20-4-2-1-3-5-20)31-32(27(22)28(33)34)15-29-12-17-6-18(13-29)8-19(7-17)14-29/h1-5,10-11,17-19H,6-9,12-16H2,(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description In vitro binding affinity to endothelin A receptor in rat heart ventricles				Bioorg Med Chem Lett 10: 2575-8 (2001) BindingDB Entry DOI: 10.7270/Q22R3QW9
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50093993 (4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-cyclohe...) Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1CC1CCCCC1)-c1ccccc1 Show InChI InChI=1S/C25H25ClN2O4/c26-20-13-22-21(31-15-32-22)12-18(20)11-19-23(17-9-5-2-6-10-17)27-28(24(19)25(29)30)14-16-7-3-1-4-8-16/h2,5-6,9-10,12-13,16H,1,3-4,7-8,11,14-15H2,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description In vitro binding affinity to endothelin A receptor in rat heart ventricles				Bioorg Med Chem Lett 10: 2575-8 (2001) BindingDB Entry DOI: 10.7270/Q22R3QW9
					More data for this Ligand-Target Pair
Endothelin receptor type B (RAT)	BDBM50093988 (2-(2-Carboxymethoxy-4-methoxy-benzyl)-4-(6-chloro-...) Show SMILES COc1ccc(Cn2nc(c(Cc3cc4OCOc4cc3Cl)c2C(O)=O)-c2ccccc2)c(OCC(O)=O)c1 Show InChI InChI=1S/C28H23ClN2O8/c1-36-19-8-7-17(22(11-19)37-14-25(32)33)13-31-27(28(34)35)20(26(30-31)16-5-3-2-4-6-16)9-18-10-23-24(12-21(18)29)39-15-38-23/h2-8,10-12H,9,13-15H2,1H3,(H,32,33)(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description In vitro binding affinity to endothelin B receptor in rat cerebellum				Bioorg Med Chem Lett 10: 2575-8 (2001) BindingDB Entry DOI: 10.7270/Q22R3QW9
					More data for this Ligand-Target Pair
Endothelin receptor type B (RAT)	BDBM50093986 (2-(2-Carboxymethoxy-benzyl)-4-(6-chloro-benzo[1,3]...) Show SMILES OC(=O)COc1ccccc1Cn1nc(c(Cc2cc3OCOc3cc2Cl)c1C(O)=O)-c1cccs1 Show InChI InChI=1S/C25H19ClN2O7S/c26-17-10-20-19(34-13-35-20)9-15(17)8-16-23(21-6-3-7-36-21)27-28(24(16)25(31)32)11-14-4-1-2-5-18(14)33-12-22(29)30/h1-7,9-10H,8,11-13H2,(H,29,30)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description In vitro binding affinity to endothelin B receptor in rat cerebellum				Bioorg Med Chem Lett 10: 2575-8 (2001) BindingDB Entry DOI: 10.7270/Q22R3QW9
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50094004 (4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-cyclohe...) Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1CC1CCCCC1)-c1ccccn1 Show InChI InChI=1S/C24H24ClN3O4/c25-18-12-21-20(31-14-32-21)11-16(18)10-17-22(19-8-4-5-9-26-19)27-28(23(17)24(29)30)13-15-6-2-1-3-7-15/h4-5,8-9,11-12,15H,1-3,6-7,10,13-14H2,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description In vitro binding affinity to endothelin A receptor in rat heart ventricles				Bioorg Med Chem Lett 10: 2575-8 (2001) BindingDB Entry DOI: 10.7270/Q22R3QW9
					More data for this Ligand-Target Pair
Endothelin receptor type B (RAT)	BDBM50093980 (2-Adamantan-1-ylmethyl-4-(6-chloro-benzo[1,3]dioxo...) Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1CC12CC3CC(CC(C3)C1)C2)-c1ccccc1 |TLB:27:26:29:22.21.23,27:22:29:26.28.25,23:24:28:22.21.27,THB:23:22:28:24.29.25,25:26:21:24.29.23,25:24:21:26.28.27| Show InChI InChI=1S/C29H29ClN2O4/c30-23-11-25-24(35-16-36-25)10-21(23)9-22-26(20-4-2-1-3-5-20)31-32(27(22)28(33)34)15-29-12-17-6-18(13-29)8-19(7-17)14-29/h1-5,10-11,17-19H,6-9,12-16H2,(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description In vitro binding affinity to endothelin B receptor in rat cerebellum				Bioorg Med Chem Lett 10: 2575-8 (2001) BindingDB Entry DOI: 10.7270/Q22R3QW9
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50094003 (2-(4-Carboxy-cyclohexylmethyl)-4-(6-chloro-benzo[1...) Show SMILES OC(=O)C1CCC(Cn2nc(c(Cc3cc4OCOc4cc3Cl)c2C(O)=O)-c2ccccc2)CC1 |(9.76,-15.23,;10.23,-13.75,;11.75,-13.44,;9.2,-12.6,;9.67,-11.14,;8.64,-9.99,;7.14,-10.32,;6.11,-9.18,;6.2,-7.63,;4.86,-6.69,;5.33,-5.23,;6.88,-5.23,;7.79,-3.97,;9.34,-4.14,;10.23,-5.39,;11.76,-5.23,;12.91,-6.25,;14.22,-5.49,;13.92,-4,;12.39,-3.83,;11.48,-2.59,;9.95,-2.74,;9.05,-1.49,;7.36,-6.71,;8.83,-7.18,;9.72,-8.43,;9.98,-6.15,;4.42,-3.97,;5.05,-2.56,;4.15,-1.32,;2.6,-1.49,;1.98,-2.89,;2.89,-4.14,;6.66,-11.78,;7.69,-12.92,)| Show InChI InChI=1S/C26H25ClN2O6/c27-20-12-22-21(34-14-35-22)11-18(20)10-19-23(16-4-2-1-3-5-16)28-29(24(19)26(32)33)13-15-6-8-17(9-7-15)25(30)31/h1-5,11-12,15,17H,6-10,13-14H2,(H,30,31)(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description In vitro binding affinity to endothelin A receptor in rat heart ventricles				Bioorg Med Chem Lett 10: 2575-8 (2001) BindingDB Entry DOI: 10.7270/Q22R3QW9
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50094002 (2-(3-Carboxy-benzyl)-4-(6-chloro-benzo[1,3]dioxol-...) Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1Cc1cccc(c1)C(O)=O)-c1cccs1 Show InChI InChI=1S/C24H17ClN2O6S/c25-17-10-19-18(32-12-33-19)9-15(17)8-16-21(20-5-2-6-34-20)26-27(22(16)24(30)31)11-13-3-1-4-14(7-13)23(28)29/h1-7,9-10H,8,11-12H2,(H,28,29)(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description In vitro binding affinity to endothelin A receptor in rat heart ventricles				Bioorg Med Chem Lett 10: 2575-8 (2001) BindingDB Entry DOI: 10.7270/Q22R3QW9
					More data for this Ligand-Target Pair
Endothelin receptor type B (RAT)	BDBM50093990 (4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-cyclohe...) Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1CC1CCCCC1)-c1cccnc1 Show InChI InChI=1S/C24H24ClN3O4/c25-19-11-21-20(31-14-32-21)10-17(19)9-18-22(16-7-4-8-26-12-16)27-28(23(18)24(29)30)13-15-5-2-1-3-6-15/h4,7-8,10-12,15H,1-3,5-6,9,13-14H2,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description In vitro binding affinity to endothelin B receptor in rat cerebellum				Bioorg Med Chem Lett 10: 2575-8 (2001) BindingDB Entry DOI: 10.7270/Q22R3QW9
					More data for this Ligand-Target Pair
Endothelin receptor type B (RAT)	BDBM50093981 (2-(2-Carboxymethoxy-4-methoxy-benzyl)-4-(6-chloro-...) Show SMILES COc1ccc(Cn2nc(c(Cc3cc4OCOc4cc3Cl)c2C(O)=O)-c2cccs2)c(OCC(O)=O)c1 Show InChI InChI=1S/C26H21ClN2O8S/c1-34-16-5-4-14(19(9-16)35-12-23(30)31)11-29-25(26(32)33)17(24(28-29)22-3-2-6-38-22)7-15-8-20-21(10-18(15)27)37-13-36-20/h2-6,8-10H,7,11-13H2,1H3,(H,30,31)(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description In vitro binding affinity to endothelin B receptor in rat cerebellum				Bioorg Med Chem Lett 10: 2575-8 (2001) BindingDB Entry DOI: 10.7270/Q22R3QW9
					More data for this Ligand-Target Pair
Endothelin receptor type B (RAT)	BDBM50094001 (4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-(3,5-di...) Show SMILES COc1cc(Cn2nc(c(Cc3cc4OCOc4cc3Cl)c2C(O)=O)-c2ccccc2)cc(OC)c1 Show InChI InChI=1S/C27H23ClN2O6/c1-33-19-8-16(9-20(12-19)34-2)14-30-26(27(31)32)21(25(29-30)17-6-4-3-5-7-17)10-18-11-23-24(13-22(18)28)36-15-35-23/h3-9,11-13H,10,14-15H2,1-2H3,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.70	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description In vitro binding affinity to endothelin B receptor in rat cerebellum				Bioorg Med Chem Lett 10: 2575-8 (2001) BindingDB Entry DOI: 10.7270/Q22R3QW9
					More data for this Ligand-Target Pair
Endothelin receptor type B (RAT)	BDBM50093987 (4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-cyclohe...) Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1CC1CCCCC1)-c1ccco1 Show InChI InChI=1S/C23H23ClN2O5/c24-17-11-20-19(30-13-31-20)10-15(17)9-16-21(18-7-4-8-29-18)25-26(22(16)23(27)28)12-14-5-2-1-3-6-14/h4,7-8,10-11,14H,1-3,5-6,9,12-13H2,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.80	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description In vitro binding affinity to endothelin B receptor in rat cerebellum				Bioorg Med Chem Lett 10: 2575-8 (2001) BindingDB Entry DOI: 10.7270/Q22R3QW9
					More data for this Ligand-Target Pair
Endothelin receptor type B (RAT)	BDBM50094000 (2-(3-Carboxy-cyclohexylmethyl)-4-(6-chloro-benzo[1...) Show SMILES OC(=O)C1CCCC(Cn2nc(c(Cc3cc4OCOc4cc3Cl)c2C(O)=O)-c2cccs2)C1 Show InChI InChI=1S/C24H23ClN2O6S/c25-17-10-19-18(32-12-33-19)9-15(17)8-16-21(20-5-2-6-34-20)26-27(22(16)24(30)31)11-13-3-1-4-14(7-13)23(28)29/h2,5-6,9-10,13-14H,1,3-4,7-8,11-12H2,(H,28,29)(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.90	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description In vitro binding affinity to endothelin B receptor in rat cerebellum				Bioorg Med Chem Lett 10: 2575-8 (2001) BindingDB Entry DOI: 10.7270/Q22R3QW9
					More data for this Ligand-Target Pair
Endothelin receptor type B (RAT)	BDBM50093998 (4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-(3-chlo...) Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1Cc1cccc(Cl)c1)-c1ccccc1 Show InChI InChI=1S/C25H18Cl2N2O4/c26-18-8-4-5-15(9-18)13-29-24(25(30)31)19(23(28-29)16-6-2-1-3-7-16)10-17-11-21-22(12-20(17)27)33-14-32-21/h1-9,11-12H,10,13-14H2,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description In vitro binding affinity to endothelin B receptor in rat cerebellum				Bioorg Med Chem Lett 10: 2575-8 (2001) BindingDB Entry DOI: 10.7270/Q22R3QW9
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50093994 (2-(4-Carboxy-benzyl)-4-(6-chloro-benzo[1,3]dioxol-...) Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1Cc1ccc(cc1)C(O)=O)-c1ccccc1 Show InChI InChI=1S/C26H19ClN2O6/c27-20-12-22-21(34-14-35-22)11-18(20)10-19-23(16-4-2-1-3-5-16)28-29(24(19)26(32)33)13-15-6-8-17(9-7-15)25(30)31/h1-9,11-12H,10,13-14H2,(H,30,31)(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description In vitro binding affinity to endothelin A receptor in rat heart ventricles				Bioorg Med Chem Lett 10: 2575-8 (2001) BindingDB Entry DOI: 10.7270/Q22R3QW9
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50093992 (4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-(2-ethy...) Show SMILES CCC(CC)Cn1nc(c(Cc2cc3OCOc3cc2Cl)c1C(O)=O)-c1ccccc1 Show InChI InChI=1S/C24H25ClN2O4/c1-3-15(4-2)13-27-23(24(28)29)18(22(26-27)16-8-6-5-7-9-16)10-17-11-20-21(12-19(17)25)31-14-30-20/h5-9,11-12,15H,3-4,10,13-14H2,1-2H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description In vitro binding affinity to endothelin A receptor in rat heart ventricles				Bioorg Med Chem Lett 10: 2575-8 (2001) BindingDB Entry DOI: 10.7270/Q22R3QW9
					More data for this Ligand-Target Pair
Endothelin receptor type B (RAT)	BDBM50093999 (2-(3-Carboxy-cyclohexylmethyl)-4-(6-chloro-benzo[1...) Show SMILES OC(=O)C1CCCC(Cn2nc(c(Cc3cc4OCOc4cc3Cl)c2C(O)=O)-c2ccccc2)C1 Show InChI InChI=1S/C26H25ClN2O6/c27-20-12-22-21(34-14-35-22)11-18(20)10-19-23(16-6-2-1-3-7-16)28-29(24(19)26(32)33)13-15-5-4-8-17(9-15)25(30)31/h1-3,6-7,11-12,15,17H,4-5,8-10,13-14H2,(H,30,31)(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description In vitro binding affinity to endothelin B receptor in rat cerebellum				Bioorg Med Chem Lett 10: 2575-8 (2001) BindingDB Entry DOI: 10.7270/Q22R3QW9
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50093981 (2-(2-Carboxymethoxy-4-methoxy-benzyl)-4-(6-chloro-...) Show SMILES COc1ccc(Cn2nc(c(Cc3cc4OCOc4cc3Cl)c2C(O)=O)-c2cccs2)c(OCC(O)=O)c1 Show InChI InChI=1S/C26H21ClN2O8S/c1-34-16-5-4-14(19(9-16)35-12-23(30)31)11-29-25(26(32)33)17(24(28-29)22-3-2-6-38-22)7-15-8-20-21(10-18(15)27)37-13-36-20/h2-6,8-10H,7,11-13H2,1H3,(H,30,31)(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description In vitro binding affinity to endothelin A receptor in rat heart ventricles				Bioorg Med Chem Lett 10: 2575-8 (2001) BindingDB Entry DOI: 10.7270/Q22R3QW9
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50093998 (4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-(3-chlo...) Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1Cc1cccc(Cl)c1)-c1ccccc1 Show InChI InChI=1S/C25H18Cl2N2O4/c26-18-8-4-5-15(9-18)13-29-24(25(30)31)19(23(28-29)16-6-2-1-3-7-16)10-17-11-21-22(12-20(17)27)33-14-32-21/h1-9,11-12H,10,13-14H2,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description In vitro binding affinity to endothelin A receptor in rat heart ventricles				Bioorg Med Chem Lett 10: 2575-8 (2001) BindingDB Entry DOI: 10.7270/Q22R3QW9
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50093990 (4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-cyclohe...) Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1CC1CCCCC1)-c1cccnc1 Show InChI InChI=1S/C24H24ClN3O4/c25-19-11-21-20(31-14-32-21)10-17(19)9-18-22(16-7-4-8-26-12-16)27-28(23(18)24(29)30)13-15-5-2-1-3-6-15/h4,7-8,10-12,15H,1-3,5-6,9,13-14H2,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description In vitro binding affinity to endothelin A receptor in rat heart ventricles				Bioorg Med Chem Lett 10: 2575-8 (2001) BindingDB Entry DOI: 10.7270/Q22R3QW9
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50089716 (4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-(3-meth...) Show SMILES COc1cccc(Cn2nc(c(Cc3cc4OCOc4cc3Cl)c2C(O)=O)-c2ccccc2)c1 Show InChI InChI=1S/C26H21ClN2O5/c1-32-19-9-5-6-16(10-19)14-29-25(26(30)31)20(24(28-29)17-7-3-2-4-8-17)11-18-12-22-23(13-21(18)27)34-15-33-22/h2-10,12-13H,11,14-15H2,1H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description In vitro binding affinity to endothelin A receptor in rat heart ventricles				Bioorg Med Chem Lett 10: 2575-8 (2001) BindingDB Entry DOI: 10.7270/Q22R3QW9
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50093995 (2-(2-Carboxymethoxy-cyclohexylmethyl)-4-(6-chloro-...) Show SMILES OC(=O)COC1CCCCC1Cn1nc(c(Cc2cc3OCOc3cc2Cl)c1C(O)=O)-c1ccccc1 Show InChI InChI=1S/C27H27ClN2O7/c28-20-12-23-22(36-15-37-23)11-18(20)10-19-25(16-6-2-1-3-7-16)29-30(26(19)27(33)34)13-17-8-4-5-9-21(17)35-14-24(31)32/h1-3,6-7,11-12,17,21H,4-5,8-10,13-15H2,(H,31,32)(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description In vitro binding affinity to endothelin A receptor in rat heart ventricles				Bioorg Med Chem Lett 10: 2575-8 (2001) BindingDB Entry DOI: 10.7270/Q22R3QW9
					More data for this Ligand-Target Pair
Endothelin receptor type B (RAT)	BDBM50093991 (4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-(3,4-di...) Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1Cc1ccc(Cl)c(Cl)c1)-c1ccccc1 Show InChI InChI=1S/C25H17Cl3N2O4/c26-18-7-6-14(8-20(18)28)12-30-24(25(31)32)17(23(29-30)15-4-2-1-3-5-15)9-16-10-21-22(11-19(16)27)34-13-33-21/h1-8,10-11H,9,12-13H2,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description In vitro binding affinity to endothelin B receptor in rat cerebellum				Bioorg Med Chem Lett 10: 2575-8 (2001) BindingDB Entry DOI: 10.7270/Q22R3QW9
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50093986 (2-(2-Carboxymethoxy-benzyl)-4-(6-chloro-benzo[1,3]...) Show SMILES OC(=O)COc1ccccc1Cn1nc(c(Cc2cc3OCOc3cc2Cl)c1C(O)=O)-c1cccs1 Show InChI InChI=1S/C25H19ClN2O7S/c26-17-10-20-19(34-13-35-20)9-15(17)8-16-23(21-6-3-7-36-21)27-28(24(16)25(31)32)11-14-4-1-2-5-18(14)33-12-22(29)30/h1-7,9-10H,8,11-13H2,(H,29,30)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description In vitro binding affinity to endothelin A receptor in rat heart ventricles				Bioorg Med Chem Lett 10: 2575-8 (2001) BindingDB Entry DOI: 10.7270/Q22R3QW9
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50094001 (4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-(3,5-di...) Show SMILES COc1cc(Cn2nc(c(Cc3cc4OCOc4cc3Cl)c2C(O)=O)-c2ccccc2)cc(OC)c1 Show InChI InChI=1S/C27H23ClN2O6/c1-33-19-8-16(9-20(12-19)34-2)14-30-26(27(31)32)21(25(29-30)17-6-4-3-5-7-17)10-18-11-23-24(13-22(18)28)36-15-35-23/h3-9,11-13H,10,14-15H2,1-2H3,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description In vitro binding affinity to endothelin A receptor in rat heart ventricles				Bioorg Med Chem Lett 10: 2575-8 (2001) BindingDB Entry DOI: 10.7270/Q22R3QW9
					More data for this Ligand-Target Pair
Endothelin receptor type B (RAT)	BDBM50093992 (4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-(2-ethy...) Show SMILES CCC(CC)Cn1nc(c(Cc2cc3OCOc3cc2Cl)c1C(O)=O)-c1ccccc1 Show InChI InChI=1S/C24H25ClN2O4/c1-3-15(4-2)13-27-23(24(28)29)18(22(26-27)16-8-6-5-7-9-16)10-17-11-20-21(12-19(17)25)31-14-30-20/h5-9,11-12,15H,3-4,10,13-14H2,1-2H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description In vitro binding affinity to endothelin B receptor in rat cerebellum				Bioorg Med Chem Lett 10: 2575-8 (2001) BindingDB Entry DOI: 10.7270/Q22R3QW9
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50093991 (4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-(3,4-di...) Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1Cc1ccc(Cl)c(Cl)c1)-c1ccccc1 Show InChI InChI=1S/C25H17Cl3N2O4/c26-18-7-6-14(8-20(18)28)12-30-24(25(31)32)17(23(29-30)15-4-2-1-3-5-15)9-16-10-21-22(11-19(16)27)34-13-33-21/h1-8,10-11H,9,12-13H2,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description In vitro binding affinity to endothelin A receptor in rat heart ventricles				Bioorg Med Chem Lett 10: 2575-8 (2001) BindingDB Entry DOI: 10.7270/Q22R3QW9
					More data for this Ligand-Target Pair
Endothelin receptor type B (RAT)	BDBM50089716 (4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-(3-meth...) Show SMILES COc1cccc(Cn2nc(c(Cc3cc4OCOc4cc3Cl)c2C(O)=O)-c2ccccc2)c1 Show InChI InChI=1S/C26H21ClN2O5/c1-32-19-9-5-6-16(10-19)14-29-25(26(30)31)20(24(28-29)17-7-3-2-4-8-17)11-18-12-22-23(13-21(18)27)34-15-33-22/h2-10,12-13H,11,14-15H2,1H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description In vitro binding affinity to endothelin B receptor in rat cerebellum				Bioorg Med Chem Lett 10: 2575-8 (2001) BindingDB Entry DOI: 10.7270/Q22R3QW9
					More data for this Ligand-Target Pair
Endothelin receptor type B (RAT)	BDBM50093985 (2-(6-Carboxy-4H-benzo[1,3]dioxin-8-ylmethyl)-4-(6-...) Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1Cc1cc(cc2COCOc12)C(O)=O)-c1ccccc1 Show InChI InChI=1S/C28H21ClN2O8/c29-21-10-23-22(37-14-38-23)9-16(21)8-20-24(15-4-2-1-3-5-15)30-31(25(20)28(34)35)11-18-6-17(27(32)33)7-19-12-36-13-39-26(18)19/h1-7,9-10H,8,11-14H2,(H,32,33)(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description In vitro binding affinity to endothelin B receptor in rat cerebellum				Bioorg Med Chem Lett 10: 2575-8 (2001) BindingDB Entry DOI: 10.7270/Q22R3QW9
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50093984 (2-(2-Carboxymethoxy-benzyl)-4-(6-chloro-benzo[1,3]...) Show SMILES OC(=O)COc1ccccc1Cn1nc(c(Cc2cc3OCOc3cc2Cl)c1C(O)=O)-c1ccccc1 Show InChI InChI=1S/C27H21ClN2O7/c28-20-12-23-22(36-15-37-23)11-18(20)10-19-25(16-6-2-1-3-7-16)29-30(26(19)27(33)34)13-17-8-4-5-9-21(17)35-14-24(31)32/h1-9,11-12H,10,13-15H2,(H,31,32)(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description In vitro binding affinity to endothelin A receptor in rat heart ventricles				Bioorg Med Chem Lett 10: 2575-8 (2001) BindingDB Entry DOI: 10.7270/Q22R3QW9
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50093979 (4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-[1,3]di...) Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1CC1OCCO1)-c1ccccc1 Show InChI InChI=1S/C22H19ClN2O6/c23-16-10-18-17(30-12-31-18)9-14(16)8-15-20(13-4-2-1-3-5-13)24-25(21(15)22(26)27)11-19-28-6-7-29-19/h1-5,9-10,19H,6-8,11-12H2,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description In vitro binding affinity to endothelin A receptor in rat heart ventricles				Bioorg Med Chem Lett 10: 2575-8 (2001) BindingDB Entry DOI: 10.7270/Q22R3QW9
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50093989 (5-[5-Carboxy-4-(6-chloro-benzo[1,3]dioxol-5-ylmeth...) Show SMILES OC(=O)c1cc(Cn2nc(c(Cc3cc4OCOc4cc3Cl)c2C(O)=O)-c2ccccc2)on1 Show InChI InChI=1S/C23H16ClN3O7/c24-16-9-19-18(32-11-33-19)7-13(16)6-15-20(12-4-2-1-3-5-12)25-27(21(15)23(30)31)10-14-8-17(22(28)29)26-34-14/h1-5,7-9H,6,10-11H2,(H,28,29)(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description In vitro binding affinity to endothelin A receptor in rat heart ventricles				Bioorg Med Chem Lett 10: 2575-8 (2001) BindingDB Entry DOI: 10.7270/Q22R3QW9
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50093988 (2-(2-Carboxymethoxy-4-methoxy-benzyl)-4-(6-chloro-...) Show SMILES COc1ccc(Cn2nc(c(Cc3cc4OCOc4cc3Cl)c2C(O)=O)-c2ccccc2)c(OCC(O)=O)c1 Show InChI InChI=1S/C28H23ClN2O8/c1-36-19-8-7-17(22(11-19)37-14-25(32)33)13-31-27(28(34)35)20(26(30-31)16-5-3-2-4-6-16)9-18-10-23-24(12-21(18)29)39-15-38-23/h2-8,10-12H,9,13-15H2,1H3,(H,32,33)(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description In vitro binding affinity to endothelin A receptor in rat heart ventricles				Bioorg Med Chem Lett 10: 2575-8 (2001) BindingDB Entry DOI: 10.7270/Q22R3QW9
					More data for this Ligand-Target Pair
Endothelin receptor type B (RAT)	BDBM50094002 (2-(3-Carboxy-benzyl)-4-(6-chloro-benzo[1,3]dioxol-...) Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1Cc1cccc(c1)C(O)=O)-c1cccs1 Show InChI InChI=1S/C24H17ClN2O6S/c25-17-10-19-18(32-12-33-19)9-15(17)8-16-21(20-5-2-6-34-20)26-27(22(16)24(30)31)11-13-3-1-4-14(7-13)23(28)29/h1-7,9-10H,8,11-12H2,(H,28,29)(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description In vitro binding affinity to endothelin B receptor in rat cerebellum				Bioorg Med Chem Lett 10: 2575-8 (2001) BindingDB Entry DOI: 10.7270/Q22R3QW9
					More data for this Ligand-Target Pair
Endothelin receptor type B (RAT)	BDBM50093983 (4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-cyclohe...) Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1C1CCCCC1)-c1ccccc1 Show InChI InChI=1S/C24H23ClN2O4/c25-19-13-21-20(30-14-31-21)12-16(19)11-18-22(15-7-3-1-4-8-15)26-27(23(18)24(28)29)17-9-5-2-6-10-17/h1,3-4,7-8,12-13,17H,2,5-6,9-11,14H2,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	131	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description In vitro binding affinity to endothelin B receptor in rat cerebellum				Bioorg Med Chem Lett 10: 2575-8 (2001) BindingDB Entry DOI: 10.7270/Q22R3QW9
					More data for this Ligand-Target Pair
Endothelin receptor type B (RAT)	BDBM50093982 (4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-cyclohe...) Show SMILES COc1ccc(cc1)-c1nn(CC2CCCCC2)c(C(O)=O)c1Cc1cc2OCOc2cc1Cl Show InChI InChI=1S/C26H27ClN2O5/c1-32-19-9-7-17(8-10-19)24-20(11-18-12-22-23(13-21(18)27)34-15-33-22)25(26(30)31)29(28-24)14-16-5-3-2-4-6-16/h7-10,12-13,16H,2-6,11,14-15H2,1H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	178	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description In vitro binding affinity to endothelin B receptor in rat cerebellum				Bioorg Med Chem Lett 10: 2575-8 (2001) BindingDB Entry DOI: 10.7270/Q22R3QW9
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50093983 (4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-cyclohe...) Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1C1CCCCC1)-c1ccccc1 Show InChI InChI=1S/C24H23ClN2O4/c25-19-13-21-20(30-14-31-21)12-16(19)11-18-22(15-7-3-1-4-8-15)26-27(23(18)24(28)29)17-9-5-2-6-10-17/h1,3-4,7-8,12-13,17H,2,5-6,9-11,14H2,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	226	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description In vitro binding affinity to endothelin A receptor in rat heart ventricles				Bioorg Med Chem Lett 10: 2575-8 (2001) BindingDB Entry DOI: 10.7270/Q22R3QW9
					More data for this Ligand-Target Pair

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