Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50045693'   

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))	BDBM50045693 (4-Amino-piperidine-1-carboxylic acid 1-[1-(1-cyclo...) Show SMILES NC1CCN(CC1)C(=O)O[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1 Show InChI InChI=1S/C38H53N7O6/c39-28-16-19-45(20-17-28)38(50)51-34(22-27-11-5-2-6-12-27)37(49)44-32(23-30-24-40-25-42-30)36(48)43-31(21-26-9-3-1-4-10-26)35(47)33(46)15-14-29-13-7-8-18-41-29/h2,5-8,11-13,18,24-26,28,31-35,46-47H,1,3-4,9-10,14-17,19-23,39H2,(H,40,42)(H,43,48)(H,44,49)/t31-,32-,33-,34-,35+/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	0.370	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description In vitro inhibition of renin in human plasma				J Med Chem 36: 2788-800 (1993) BindingDB Entry DOI: 10.7270/Q24J0D61
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50045693 (4-Amino-piperidine-1-carboxylic acid 1-[1-(1-cyclo...) Show SMILES NC1CCN(CC1)C(=O)O[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1 Show InChI InChI=1S/C38H53N7O6/c39-28-16-19-45(20-17-28)38(50)51-34(22-27-11-5-2-6-12-27)37(49)44-32(23-30-24-40-25-42-30)36(48)43-31(21-26-9-3-1-4-10-26)35(47)33(46)15-14-29-13-7-8-18-41-29/h2,5-8,11-13,18,24-26,28,31-35,46-47H,1,3-4,9-10,14-17,19-23,39H2,(H,40,42)(H,43,48)(H,44,49)/t31-,32-,33-,34-,35+/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	0.370	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description In vitro inhibition of renin in human plasma				J Med Chem 36: 2788-800 (1993) BindingDB Entry DOI: 10.7270/Q24J0D61
					More data for this Ligand-Target Pair