Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50359191'   

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))	BDBM50359191 (CHEMBL1923128) Show SMILES CCN(CC)CCCc1cc(CCCOC)cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c1Cl |r| Show InChI InChI=1S/C34H46ClF2N3O3/c1-4-39(5-2)14-6-9-24-16-23(8-7-15-42-3)17-25(32(24)35)21-40(27-10-11-27)33(41)29-20-38-13-12-34(29)28-19-31(37)30(36)18-26(28)22-43-34/h16-19,27,29,38H,4-15,20-22H2,1-3H3/t29-,34+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	7.4	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using 9 DNP-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-D,L-Amp as substrate after 3 hrs by Q-FRET assay in presence of...				Bioorg Med Chem Lett 21: 7399-404 (2011) Article DOI: 10.1016/j.bmcl.2011.10.013 BindingDB Entry DOI: 10.7270/Q2PC32SW
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50359191 (CHEMBL1923128) Show SMILES CCN(CC)CCCc1cc(CCCOC)cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c1Cl |r| Show InChI InChI=1S/C34H46ClF2N3O3/c1-4-39(5-2)14-6-9-24-16-23(8-7-15-42-3)17-25(32(24)35)21-40(27-10-11-27)33(41)29-20-38-13-12-34(29)28-19-31(37)30(36)18-26(28)22-43-34/h16-19,27,29,38H,4-15,20-22H2,1-3H3/t29-,34+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of recombinant human renin in human plasma using QXL520-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-Lys-(5-FAM) as substrate preincubated for 10 m...				Bioorg Med Chem Lett 21: 7399-404 (2011) Article DOI: 10.1016/j.bmcl.2011.10.013 BindingDB Entry DOI: 10.7270/Q2PC32SW
					More data for this Ligand-Target Pair