Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50282604'   

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
Renin (Homo sapiens (Human))	BDBM50282604 ((3S,4S)-5-Cyclohexyl-4-((S)-2-{(S)-2-[2-(1,1-dioxo...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CC1CS(=O)(=O)c2ccccc12)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NCCCc1cccnc1 Show InChI InChI=1S/C44H59N5O7S/c1-30(2)23-37(43(53)48-36(24-31-13-5-3-6-14-31)39(50)27-41(51)46-22-12-18-33-17-11-21-45-28-33)49-44(54)38(25-32-15-7-4-8-16-32)47-42(52)26-34-29-57(55,56)40-20-10-9-19-35(34)40/h4,7-11,15-17,19-21,28,30-31,34,36-39,50H,3,5-6,12-14,18,22-27,29H2,1-2H3,(H,46,51)(H,47,52)(H,48,53)(H,49,54)/t34?,36-,37-,38-,39-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human plasma renin at pH 65.0				Bioorg Med Chem Lett 4: 1291-1296 (1994) Article DOI: 10.1016/S0960-894X(01)80347-4 BindingDB Entry DOI: 10.7270/Q2C8297D
					More data for this Ligand-Target Pair