Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50289713'   

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))	BDBM50289713 (2,3-Dihydro-1H-indole-2-carboxylic acid [(S)-1-((1...) Show SMILES CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1Cc2ccccc2N1 Show InChI InChI=1S/C29H43N5O4/c1-18(2)26(35)15-27(36)23(12-19-8-4-3-5-9-19)33-29(38)25(14-21-16-30-17-31-21)34-28(37)24-13-20-10-6-7-11-22(20)32-24/h6-7,10-11,16-19,23-27,32,35-36H,3-5,8-9,12-15H2,1-2H3,(H,30,31)(H,33,38)(H,34,37)/t23-,24?,25-,26-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	880	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro renin inhibitory effect of the compound was evaluated for plasma renin activity (PRA) of monkey plasma, Expressed as IC50				Bioorg Med Chem Lett 7: 1863-1868 (1997) Article DOI: 10.1016/S0960-894X(97)00323-5 BindingDB Entry DOI: 10.7270/Q2K64J20
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50289713 (2,3-Dihydro-1H-indole-2-carboxylic acid [(S)-1-((1...) Show SMILES CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1Cc2ccccc2N1 Show InChI InChI=1S/C29H43N5O4/c1-18(2)26(35)15-27(36)23(12-19-8-4-3-5-9-19)33-29(38)25(14-21-16-30-17-31-21)34-28(37)24-13-20-10-6-7-11-22(20)32-24/h6-7,10-11,16-19,23-27,32,35-36H,3-5,8-9,12-15H2,1-2H3,(H,30,31)(H,33,38)(H,34,37)/t23-,24?,25-,26-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	880	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro renin inhibitory effect was evaluated for plasma renin activity (PRA) of human plasma, Expressed as IC50				Bioorg Med Chem Lett 7: 1863-1868 (1997) Article DOI: 10.1016/S0960-894X(97)00323-5 BindingDB Entry DOI: 10.7270/Q2K64J20
					More data for this Ligand-Target Pair