null

SMILES: COCCCc1cc(CN(C2CC2)C(=O)C(CN)Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)c(Cl)c[n+]1[O-]

InChI Key: InChIKey=XDQLMSRLTKRTOW-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50314656   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Renin (Homo sapiens (Human))	BDBM50314656 (4-((3-amino-N-cyclopropyl-2-(4-(3-(2,6-dichloro-4-...) Show SMILES COCCCc1cc(CN(C2CC2)C(=O)C(CN)Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)c(Cl)c[n+]1[O-] Show InChI InChI=1S/C33H40Cl3N3O4/c1-22-15-29(34)32(30(35)16-22)43-14-3-5-23-7-9-24(10-8-23)17-25(19-37)33(40)38(27-11-12-27)20-26-18-28(6-4-13-42-2)39(41)21-31(26)36/h7-10,15-16,18,21,25,27H,3-6,11-14,17,19-20,37H2,1-2H3	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	0.300	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 at pH 7.4				Bioorg Med Chem Lett 20: 2204-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.036 BindingDB Entry DOI: 10.7270/Q2W37WGD
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50314656 (4-((3-amino-N-cyclopropyl-2-(4-(3-(2,6-dichloro-4-...) Show SMILES COCCCc1cc(CN(C2CC2)C(=O)C(CN)Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)c(Cl)c[n+]1[O-] Show InChI InChI=1S/C33H40Cl3N3O4/c1-22-15-29(34)32(30(35)16-22)43-14-3-5-23-7-9-24(10-8-23)17-25(19-37)33(40)38(27-11-12-27)20-26-18-28(6-4-13-42-2)39(41)21-31(26)36/h7-10,15-16,18,21,25,27H,3-6,11-14,17,19-20,37H2,1-2H3	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	1.80	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 20: 2204-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.036 BindingDB Entry DOI: 10.7270/Q2W37WGD
					More data for this Ligand-Target Pair