Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50347016'   

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))	BDBM50347016 (CHEMBL1796069) Show SMILES COCCCn1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)c2c(F)cccc12 |r| Show InChI InChI=1S/C28H35FN4O3/c1-31-13-10-19(15-26(31)34)22-9-11-30-16-23(22)28(35)33(21-7-8-21)18-20-17-32(12-4-14-36-2)25-6-3-5-24(29)27(20)25/h3,5-6,10,13,15,17,21-23,30H,4,7-9,11-12,14,16,18H2,1-2H3/t22-,23+/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	0.320	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 human recombinant renin using Q-FRET substrate after 3 hrs by fluorescence assay				Bioorg Med Chem Lett 21: 3970-5 (2011) Article DOI: 10.1016/j.bmcl.2011.05.013 BindingDB Entry DOI: 10.7270/Q2PN9608
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50347016 (CHEMBL1796069) Show SMILES COCCCn1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)c2c(F)cccc12 |r| Show InChI InChI=1S/C28H35FN4O3/c1-31-13-10-19(15-26(31)34)22-9-11-30-16-23(22)28(35)33(21-7-8-21)18-20-17-32(12-4-14-36-2)25-6-3-5-24(29)27(20)25/h3,5-6,10,13,15,17,21-23,30H,4,7-9,11-12,14,16,18H2,1-2H3/t22-,23+/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	0.870	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 renin in human plasma using Q-FRET substrate pretreated for 10 mins before substrate addition measured after 1 hr				Bioorg Med Chem Lett 21: 3970-5 (2011) Article DOI: 10.1016/j.bmcl.2011.05.013 BindingDB Entry DOI: 10.7270/Q2PN9608
					More data for this Ligand-Target Pair