Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50050058'   

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))	BDBM50050058 (2-[(R)-1-((S)-2-Cyclohexylcarbamoyloxy-4-methyl-pe...) Show SMILES CC(C)C[C@H](OC(=O)NC1CCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)c1nc(C(O)=O)c(C)[nH]1 Show InChI InChI=1S/C29H39N5O5/c1-17(2)14-24(39-29(38)31-20-10-6-5-7-11-20)27(35)32-22(26-30-18(3)25(33-26)28(36)37)15-19-16-34(4)23-13-9-8-12-21(19)23/h8-9,12-13,16-17,20,22,24H,5-7,10-11,14-15H2,1-4H3,(H,30,33)(H,31,38)(H,32,35)(H,36,37)/t22-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity was evaluated against human Endothelin A receptor				J Med Chem 39: 982-91 (1996) Article DOI: 10.1021/jm9505932 BindingDB Entry DOI: 10.7270/Q2DB80WG
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