Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50054645'   

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))	BDBM50054645 (CHEMBL3318931) Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H]1CNC[C@@H](C1)C(=O)N(Cc1cccc(Cl)c1Cl)C1CC1 |r| Show InChI InChI=1S/C23H27Cl2N3O3S/c1-15-5-9-20(10-6-15)32(30,31)27-18-11-17(12-26-13-18)23(29)28(19-7-8-19)14-16-3-2-4-21(24)22(16)25/h2-6,9-10,17-19,26-27H,7-8,11-14H2,1H3/t17-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using fluorescence-quenched RE(EDANS)IHPFHLVIHTK(Dabcyl)R substrate by fluorimetric assay				ACS Med Chem Lett 5: 787-92 (2014) Article DOI: 10.1021/ml500137b BindingDB Entry DOI: 10.7270/Q2WD4279
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