Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50340419'   

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))	BDBM50340419 (1-(2-(3-(((3R,4S)-N-cyclopropyl-4-(4-(2-(2,6-dichl...) Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)cc(OCCC2(CCCC2)C(O)=O)c1 |r| Show InChI InChI=1S/C43H54Cl2N2O7/c1-29-22-38(44)40(39(45)23-29)54-21-20-53-34-11-7-32(8-12-34)36-13-17-46-27-37(36)41(48)47(33-9-10-33)28-31-24-30(6-5-18-51-2)25-35(26-31)52-19-16-43(42(49)50)14-3-4-15-43/h7-8,11-12,22-26,33,36-37,46H,3-6,9-10,13-21,27-28H2,1-2H3,(H,49,50)/t36-,37+/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	0.0100	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 human recombinant renin in PBS buffer using tetradecapeptide at pH 7.4				Bioorg Med Chem Lett 21: 2430-6 (2011) Article DOI: 10.1016/j.bmcl.2011.02.067 BindingDB Entry DOI: 10.7270/Q2G16157
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50340419 (1-(2-(3-(((3R,4S)-N-cyclopropyl-4-(4-(2-(2,6-dichl...) Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)cc(OCCC2(CCCC2)C(O)=O)c1 |r| Show InChI InChI=1S/C43H54Cl2N2O7/c1-29-22-38(44)40(39(45)23-29)54-21-20-53-34-11-7-32(8-12-34)36-13-17-46-27-37(36)41(48)47(33-9-10-33)28-31-24-30(6-5-18-51-2)25-35(26-31)52-19-16-43(42(49)50)14-3-4-15-43/h7-8,11-12,22-26,33,36-37,46H,3-6,9-10,13-21,27-28H2,1-2H3,(H,49,50)/t36-,37+/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	12.4	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 in human citrated-plasma				Bioorg Med Chem Lett 21: 2430-6 (2011) Article DOI: 10.1016/j.bmcl.2011.02.067 BindingDB Entry DOI: 10.7270/Q2G16157
					More data for this Ligand-Target Pair