Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50022840'   

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))	BDBM50022840 (Ac-Ftr-Pro-Phe-His-Leu(psi)[CH2NH]Val-NH2 | CHEMBL...) Show SMILES CC(C)C[C@@H](CN[C@@H](C(C)C)C(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cn(C=O)c2ccccc12)NC(C)=O Show InChI InChI=1S/C45H60N10O7/c1-27(2)18-33(23-48-40(28(3)4)41(46)58)51-42(59)36(21-32-22-47-25-49-32)52-43(60)35(19-30-12-7-6-8-13-30)53-44(61)39-16-11-17-55(39)45(62)37(50-29(5)57)20-31-24-54(26-56)38-15-10-9-14-34(31)38/h6-10,12-15,22,24-28,33,35-37,39-40,48H,11,16-21,23H2,1-5H3,(H2,46,58)(H,47,49)(H,50,57)(H,51,59)(H,52,60)(H,53,61)/t33-,35-,36-,37-,39-,40-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Upjohn Company Curated by ChEMBL					Assay Description In vitro inhibitory activity against human plasma renin				J Med Chem 31: 18-30 (1988) BindingDB Entry DOI: 10.7270/Q2C53MDQ
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