Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM18037'   

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))	BDBM18037 (6-ethyl-2,4-diaminopyrimidine-based compound, 5 | ...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc2CCCN(CCCOC)c2c1 Show InChI InChI=1S/C19H27N5O/c1-3-15-17(18(20)23-19(21)22-15)14-8-7-13-6-4-9-24(16(13)12-14)10-5-11-25-2/h7-8,12H,3-6,9-11H2,1-2H3,(H4,20,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	512	n/a	n/a	n/a	n/a	n/a	n/a
BioLeap, Inc., 6350 Quadrangle Drive, Suite 110, Chapel Hill, NC 27517, United States. Electronic address: isclou@gmail.com. Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using 5-FAM/QXL 520 as substrate pretreated for 30 mins followed by substrate addition measured at 1 min interv...				Bioorg Med Chem 25: 3947-3963 (2017) Article DOI: 10.1016/j.bmc.2017.05.032 BindingDB Entry DOI: 10.7270/Q2X63QD8
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM18037 (6-ethyl-2,4-diaminopyrimidine-based compound, 5 | ...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc2CCCN(CCCOC)c2c1 Show InChI InChI=1S/C19H27N5O/c1-3-15-17(18(20)23-19(21)22-15)14-8-7-13-6-4-9-24(16(13)12-14)10-5-11-25-2/h7-8,12H,3-6,9-11H2,1-2H3,(H4,20,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	7.4	22
Pfizer					Assay Description The renin assay utilized a tandem Green Flourescent Protein (tGFP) substrate that was hydrolyzed by human rennin. The tGFP substrate contained a nine...				Bioorg Med Chem Lett 17: 3575-80 (2007) Article DOI: 10.1016/j.bmcl.2007.04.052 BindingDB Entry DOI: 10.7270/Q2B56H0X
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM18037 (6-ethyl-2,4-diaminopyrimidine-based compound, 5 | ...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc2CCCN(CCCOC)c2c1 Show InChI InChI=1S/C19H27N5O/c1-3-15-17(18(20)23-19(21)22-15)14-8-7-13-6-4-9-24(16(13)12-14)10-5-11-25-2/h7-8,12H,3-6,9-11H2,1-2H3,(H4,20,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals Corp Curated by ChEMBL					Assay Description Inhibition of human recombinant renin in buffer				J Med Chem 53: 7490-520 (2010) Article DOI: 10.1021/jm901885s BindingDB Entry DOI: 10.7270/Q2S75GKG
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM18037 (6-ethyl-2,4-diaminopyrimidine-based compound, 5 | ...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc2CCCN(CCCOC)c2c1 Show InChI InChI=1S/C19H27N5O/c1-3-15-17(18(20)23-19(21)22-15)14-8-7-13-6-4-9-24(16(13)12-14)10-5-11-25-2/h7-8,12H,3-6,9-11H2,1-2H3,(H4,20,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	691	n/a	n/a	n/a	n/a	7.4	22
Pfizer					Assay Description The renin assay utilized a tandem Green Flourescent Protein (tGFP) substrate that was hydrolyzed by human rennin. The tGFP substrate contained a nine...				Anal Biochem 360: 30-40 (2007) Article DOI: 10.1016/j.ab.2006.10.017 BindingDB Entry DOI: 10.7270/Q22N50HD
					More data for this Ligand-Target Pair				3D Structure (docked)