Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50006190'   

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))	BDBM50006190 (2-[1-Benzyl-2-(4-methoxymethoxy-piperidin-1-yl)-2-...) Show SMILES CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)N1CCCN(C)CC1 Show InChI InChI=1S/C43H72N4O7/c1-6-7-19-39(54-40(29-34-17-12-9-13-18-34)43(51)47-24-20-35(21-25-47)53-31-52-5)41(49)44-37(28-33-15-10-8-11-16-33)38(48)30-36(32(2)3)42(50)46-23-14-22-45(4)26-27-46/h9,12-13,17-18,32-33,35-40,48H,6-8,10-11,14-16,19-31H2,1-5H3,(H,44,49)/t36-,37-,38-,39-,40-/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	17	n/a	n/a	n/a	n/a	6.0	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro activity against human renin (pH 6.0)				J Med Chem 35: 1735-46 (1992) BindingDB Entry DOI: 10.7270/Q27943MQ
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50006190 (2-[1-Benzyl-2-(4-methoxymethoxy-piperidin-1-yl)-2-...) Show SMILES CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)N1CCCN(C)CC1 Show InChI InChI=1S/C43H72N4O7/c1-6-7-19-39(54-40(29-34-17-12-9-13-18-34)43(51)47-24-20-35(21-25-47)53-31-52-5)41(49)44-37(28-33-15-10-8-11-16-33)38(48)30-36(32(2)3)42(50)46-23-14-22-45(4)26-27-46/h9,12-13,17-18,32-33,35-40,48H,6-8,10-11,14-16,19-31H2,1-5H3,(H,44,49)/t36-,37-,38-,39-,40-/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	79	n/a	n/a	n/a	n/a	7.4	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro activity against human renin (pH 6.0)				J Med Chem 35: 1735-46 (1992) BindingDB Entry DOI: 10.7270/Q27943MQ
					More data for this Ligand-Target Pair