Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50080627'   

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))	BDBM50080627 ((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-({[(2-ethyl-p...) Show SMILES CCc1ccccc1C(NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OCCOC(C)C)cc1)C(O)=O)c1ccc2OCOc2c1)c1ccccc1C Show InChI InChI=1S/C41H46N2O7/c1-5-28-11-7-9-13-33(28)39(32-12-8-6-10-27(32)4)42-37(44)24-43-23-34(30-16-19-35-36(22-30)50-25-49-35)38(41(45)46)40(43)29-14-17-31(18-15-29)48-21-20-47-26(2)3/h6-19,22,26,34,38-40H,5,20-21,23-25H2,1-4H3,(H,42,44)(H,45,46)/t34-,38-,39?,40+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article 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 ability determined by the displacement of [125I]-ET-1 from the human endothelin A receptor				J Med Chem 42: 3679-89 (1999) Article DOI: 10.1021/jm990171i BindingDB Entry DOI: 10.7270/Q2125RVT
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