Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50006859'   

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))	BDBM50006859 (2-((R)-(S)-Morpholine-4-sulfonyl)-1,2,3,4-tetrahyd...) Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1csc(N)n1)NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C34H52N6O7S2/c1-22(2)16-30(41)31(42)27(17-23-8-4-3-5-9-23)37-32(43)28(19-26-21-48-34(35)36-26)38-33(44)29-18-24-10-6-7-11-25(24)20-40(29)49(45,46)39-12-14-47-15-13-39/h6-7,10-11,21-23,27-31,41-42H,3-5,8-9,12-20H2,1-2H3,(H2,35,36)(H,37,43)(H,38,44)/t27-,28-,29-,30-,31+/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	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research Division of Warner-Lambert Co. Curated by ChEMBL					Assay Description In vitro inhibition of monkey renin.				J Med Chem 35: 2562-72 (1992) BindingDB Entry DOI: 10.7270/Q2ZK5H8V
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50006859 (2-((R)-(S)-Morpholine-4-sulfonyl)-1,2,3,4-tetrahyd...) Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1csc(N)n1)NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C34H52N6O7S2/c1-22(2)16-30(41)31(42)27(17-23-8-4-3-5-9-23)37-32(43)28(19-26-21-48-34(35)36-26)38-33(44)29-18-24-10-6-7-11-25(24)20-40(29)49(45,46)39-12-14-47-15-13-39/h6-7,10-11,21-23,27-31,41-42H,3-5,8-9,12-20H2,1-2H3,(H2,35,36)(H,37,43)(H,38,44)/t27-,28-,29-,30-,31+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against monkey plasma renin				Bioorg Med Chem Lett 4: 2029-2034 (1994) Article DOI: 10.1016/S0960-894X(01)80557-6 BindingDB Entry DOI: 10.7270/Q2RB74JC
					More data for this Ligand-Target Pair