BDBM50328845 (3R,4S)-N-(2-chloro-5-((cyclopropylamino)methyl)benzyl)-N-cyclopropyl-4-(4-(2-(2,6-dichloro-4-methylphenoxy)ethoxy)phenyl)piperidine-3-carboxamide::CHEMBL1269679

SMILES: Cc1cc(Cl)c(OCCOc2ccc(cc2)[C@H]2CCNC[C@@H]2C(=O)N(Cc2cc(CNC3CC3)ccc2Cl)C2CC2)c(Cl)c1

InChI Key: InChIKey=MNELPRYAPHNIFL-IHLOFXLRSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50328845   

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))	BDBM50328845 ((3R,4S)-N-(2-chloro-5-((cyclopropylamino)methyl)be...) Show SMILES Cc1cc(Cl)c(OCCOc2ccc(cc2)[C@H]2CCNC[C@@H]2C(=O)N(Cc2cc(CNC3CC3)ccc2Cl)C2CC2)c(Cl)c1 |r| Show InChI InChI=1S/C35H40Cl3N3O3/c1-22-16-32(37)34(33(38)17-22)44-15-14-43-28-9-3-24(4-10-28)29-12-13-39-20-30(29)35(42)41(27-7-8-27)21-25-18-23(2-11-31(25)36)19-40-26-5-6-26/h2-4,9-11,16-18,26-27,29-30,39-40H,5-8,12-15,19-21H2,1H3/t29-,30+/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	0.310	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of renin in buffer				Bioorg Med Chem Lett 20: 6286-90 (2010) Article DOI: 10.1016/j.bmcl.2010.08.086 BindingDB Entry DOI: 10.7270/Q2WD40T3
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50328845 ((3R,4S)-N-(2-chloro-5-((cyclopropylamino)methyl)be...) Show SMILES Cc1cc(Cl)c(OCCOc2ccc(cc2)[C@H]2CCNC[C@@H]2C(=O)N(Cc2cc(CNC3CC3)ccc2Cl)C2CC2)c(Cl)c1 |r| Show InChI InChI=1S/C35H40Cl3N3O3/c1-22-16-32(37)34(33(38)17-22)44-15-14-43-28-9-3-24(4-10-28)29-12-13-39-20-30(29)35(42)41(27-7-8-27)21-25-18-23(2-11-31(25)36)19-40-26-5-6-26/h2-4,9-11,16-18,26-27,29-30,39-40H,5-8,12-15,19-21H2,1H3/t29-,30+/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	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of renin in plasma				Bioorg Med Chem Lett 20: 6286-90 (2010) Article DOI: 10.1016/j.bmcl.2010.08.086 BindingDB Entry DOI: 10.7270/Q2WD40T3
					More data for this Ligand-Target Pair				3D Structure (docked)