Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50141461'   

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))	BDBM50141461 ((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-7-[2-(2,3-dihyd...) Show SMILES COc1ccc([C@H]2[C@@H]([C@H](c3ccc(NC(C)C)nc23)c2ccc3OCOc3c2)C(O)=O)c(CC(O)CO)c1 Show InChI InChI=1S/C29H32N2O7/c1-15(2)30-24-9-7-21-25(16-4-8-22-23(12-16)38-14-37-22)27(29(34)35)26(28(21)31-24)20-6-5-19(36-3)11-17(20)10-18(33)13-32/h4-9,11-12,15,18,25-27,32-33H,10,13-14H2,1-3H3,(H,30,31)(H,34,35)/t18?,25-,26-,27+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0480	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against [125I]-ET-1 binding to human endothelin A receptor				Bioorg Med Chem Lett 14: 1503-7 (2004) Article DOI: 10.1016/j.bmcl.2004.01.008 BindingDB Entry DOI: 10.7270/Q23R0SB4
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50141461 ((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-7-[2-(2,3-dihyd...) Show SMILES COc1ccc([C@H]2[C@@H]([C@H](c3ccc(NC(C)C)nc23)c2ccc3OCOc3c2)C(O)=O)c(CC(O)CO)c1 Show InChI InChI=1S/C29H32N2O7/c1-15(2)30-24-9-7-21-25(16-4-8-22-23(12-16)38-14-37-22)27(29(34)35)26(28(21)31-24)20-6-5-19(36-3)11-17(20)10-18(33)13-32/h4-9,11-12,15,18,25-27,32-33H,10,13-14H2,1-3H3,(H,30,31)(H,34,35)/t18?,25-,26-,27+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0480	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against [125I]-ET-1 binding to human endothelin A receptor				Bioorg Med Chem Lett 14: 1503-7 (2004) Article DOI: 10.1016/j.bmcl.2004.01.008 BindingDB Entry DOI: 10.7270/Q23R0SB4
					More data for this Ligand-Target Pair