Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50022857'   

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))	BDBM50022857 (Ac-His-Phe-Ftr-Phe-Phe-Val-Ftr-NH2 | CHEMBL2370339) Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cn(C=O)c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(=O)N[C@@H](Cc1cn(C=O)c2ccccc12)C(N)=O Show InChI InChI=1S/C64H68N12O10/c1-39(2)57(64(86)69-49(58(65)80)30-44-34-75(37-77)55-25-15-13-23-47(44)55)74-63(85)52(29-43-21-11-6-12-22-43)72-59(81)50(27-41-17-7-4-8-18-41)70-61(83)53(31-45-35-76(38-78)56-26-16-14-24-48(45)56)73-60(82)51(28-42-19-9-5-10-20-42)71-62(84)54(68-40(3)79)32-46-33-66-36-67-46/h4-26,33-39,49-54,57H,27-32H2,1-3H3,(H2,65,80)(H,66,67)(H,68,79)(H,69,86)(H,70,83)(H,71,84)(H,72,81)(H,73,82)(H,74,85)/t49-,50-,51-,52-,53-,54-,57-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	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
					More data for this Ligand-Target Pair