Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50325178'   

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))	BDBM50325178 ((R)-3-amino-N-(2-chloro-5-(3-methoxypropyl)benzyl)...) Show SMILES COCCCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@@H](CN)Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 |r| Show InChI InChI=1S/C33H39Cl3N2O4/c1-22-16-30(35)32(31(36)17-22)42-15-14-41-28-10-5-24(6-11-28)18-25(20-37)33(39)38(27-8-9-27)21-26-19-23(4-3-13-40-2)7-12-29(26)34/h5-7,10-12,16-17,19,25,27H,3-4,8-9,13-15,18,20-21,37H2,1-2H3/t25-/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	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Center for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin in phosphate buffer				Bioorg Med Chem Lett 20: 5822-6 (2010) Article DOI: 10.1016/j.bmcl.2010.07.127 BindingDB Entry DOI: 10.7270/Q2ZP46BP
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50325178 ((R)-3-amino-N-(2-chloro-5-(3-methoxypropyl)benzyl)...) Show SMILES COCCCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@@H](CN)Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 |r| Show InChI InChI=1S/C33H39Cl3N2O4/c1-22-16-30(35)32(31(36)17-22)42-15-14-41-28-10-5-24(6-11-28)18-25(20-37)33(39)38(27-8-9-27)21-26-19-23(4-3-13-40-2)7-12-29(26)34/h5-7,10-12,16-17,19,25,27H,3-4,8-9,13-15,18,20-21,37H2,1-2H3/t25-/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	0.0900	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 presence of pH 7.4 buffer				Bioorg Med Chem Lett 20: 5074-9 (2010) Article DOI: 10.1016/j.bmcl.2010.07.030 BindingDB Entry DOI: 10.7270/Q29P31V2
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50325178 ((R)-3-amino-N-(2-chloro-5-(3-methoxypropyl)benzyl)...) Show SMILES COCCCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@@H](CN)Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 |r| Show InChI InChI=1S/C33H39Cl3N2O4/c1-22-16-30(35)32(31(36)17-22)42-15-14-41-28-10-5-24(6-11-28)18-25(20-37)33(39)38(27-8-9-27)21-26-19-23(4-3-13-40-2)7-12-29(26)34/h5-7,10-12,16-17,19,25,27H,3-4,8-9,13-15,18,20-21,37H2,1-2H3/t25-/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	2.40	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 presence of plasma by immunoassay				Bioorg Med Chem Lett 20: 5074-9 (2010) Article DOI: 10.1016/j.bmcl.2010.07.030 BindingDB Entry DOI: 10.7270/Q29P31V2
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50325178 ((R)-3-amino-N-(2-chloro-5-(3-methoxypropyl)benzyl)...) Show SMILES COCCCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@@H](CN)Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 |r| Show InChI InChI=1S/C33H39Cl3N2O4/c1-22-16-30(35)32(31(36)17-22)42-15-14-41-28-10-5-24(6-11-28)18-25(20-37)33(39)38(27-8-9-27)21-26-19-23(4-3-13-40-2)7-12-29(26)34/h5-7,10-12,16-17,19,25,27H,3-4,8-9,13-15,18,20-21,37H2,1-2H3/t25-/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	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Center for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin in plasma				Bioorg Med Chem Lett 20: 5822-6 (2010) Article DOI: 10.1016/j.bmcl.2010.07.127 BindingDB Entry DOI: 10.7270/Q2ZP46BP
					More data for this Ligand-Target Pair				3D Structure (docked)