Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50355526'   

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))	BDBM50355526 (CHEMBL1910292) Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)cc(OCCOC)c1 |r| Show InChI InChI=1S/C29H38F2N2O5/c1-36-11-3-4-20-14-21(16-24(15-20)38-13-12-37-2)19-33(23-6-7-23)28(34)25-18-32-10-9-29(25,35)22-5-8-26(30)27(31)17-22/h5,8,14-17,23,25,32,35H,3-4,6-7,9-13,18-19H2,1-2H3/t25-,29+/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	6.40	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))	BDBM50355526 (CHEMBL1910292) Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)cc(OCCOC)c1 |r| Show InChI InChI=1S/C29H38F2N2O5/c1-36-11-3-4-20-14-21(16-24(15-20)38-13-12-37-2)19-33(23-6-7-23)28(34)25-18-32-10-9-29(25,35)22-5-8-26(30)27(31)17-22/h5,8,14-17,23,25,32,35H,3-4,6-7,9-13,18-19H2,1-2H3/t25-,29+/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	13	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 DNP-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-D,L-Amp as Q-FRET substrate after 3 hrs by fluorescence assay				Bioorg Med Chem Lett 21: 3976-81 (2011) Article DOI: 10.1016/j.bmcl.2011.05.014 BindingDB Entry DOI: 10.7270/Q21N81HN
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50355526 (CHEMBL1910292) Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)cc(OCCOC)c1 |r| Show InChI InChI=1S/C29H38F2N2O5/c1-36-11-3-4-20-14-21(16-24(15-20)38-13-12-37-2)19-33(23-6-7-23)28(34)25-18-32-10-9-29(25,35)22-5-8-26(30)27(31)17-22/h5,8,14-17,23,25,32,35H,3-4,6-7,9-13,18-19H2,1-2H3/t25-,29+/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	42	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
Renin (Homo sapiens (Human))	BDBM50355526 (CHEMBL1910292) Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)cc(OCCOC)c1 |r| Show InChI InChI=1S/C29H38F2N2O5/c1-36-11-3-4-20-14-21(16-24(15-20)38-13-12-37-2)19-33(23-6-7-23)28(34)25-18-32-10-9-29(25,35)22-5-8-26(30)27(31)17-22/h5,8,14-17,23,25,32,35H,3-4,6-7,9-13,18-19H2,1-2H3/t25-,29+/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	97	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 plasma using QXL520-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-Lys-(5-FAM) as Q-FRET substrate after 1 hr by ...				Bioorg Med Chem Lett 21: 3976-81 (2011) Article DOI: 10.1016/j.bmcl.2011.05.014 BindingDB Entry DOI: 10.7270/Q21N81HN
					More data for this Ligand-Target Pair