BDBM50328860 (3R,4S)-N-(2-chloro-5-((3,3,3-trifluoropropanamido)methyl)benzyl)-N-cyclopropyl-4-(4-(2-(2,6-dichloro-4-methylphenoxy)ethoxy)phenyl)piperidine-3-carboxamide::CHEMBL1269692

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

InChI Key: InChIKey=GEBGDXKEDPYHHN-IZLXSDGUSA-N

Data: 6 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 6 hits for monomerid = 50328860   

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))	BDBM50328860 ((3R,4S)-N-(2-chloro-5-((3,3,3-trifluoropropanamido...) Show SMILES Cc1cc(Cl)c(OCCOc2ccc(cc2)[C@H]2CCNC[C@@H]2C(=O)N(Cc2cc(CNC(=O)CC(F)(F)F)ccc2Cl)C2CC2)c(Cl)c1 |r| Show InChI InChI=1S/C35H37Cl3F3N3O4/c1-21-14-30(37)33(31(38)15-21)48-13-12-47-26-7-3-23(4-8-26)27-10-11-42-19-28(27)34(46)44(25-5-6-25)20-24-16-22(2-9-29(24)36)18-43-32(45)17-35(39,40)41/h2-4,7-9,14-16,25,27-28,42H,5-6,10-13,17-20H2,1H3,(H,43,45)/t27-,28+/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	6.90	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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50328860 ((3R,4S)-N-(2-chloro-5-((3,3,3-trifluoropropanamido...) Show SMILES Cc1cc(Cl)c(OCCOc2ccc(cc2)[C@H]2CCNC[C@@H]2C(=O)N(Cc2cc(CNC(=O)CC(F)(F)F)ccc2Cl)C2CC2)c(Cl)c1 |r| Show InChI InChI=1S/C35H37Cl3F3N3O4/c1-21-14-30(37)33(31(38)15-21)48-13-12-47-26-7-3-23(4-8-26)27-10-11-42-19-28(27)34(46)44(25-5-6-25)20-24-16-22(2-9-29(24)36)18-43-32(45)17-35(39,40)41/h2-4,7-9,14-16,25,27-28,42H,5-6,10-13,17-20H2,1H3,(H,43,45)/t27-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4 using midazolam as substrate				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
Renin (Homo sapiens (Human))	BDBM50328860 ((3R,4S)-N-(2-chloro-5-((3,3,3-trifluoropropanamido...) Show SMILES Cc1cc(Cl)c(OCCOc2ccc(cc2)[C@H]2CCNC[C@@H]2C(=O)N(Cc2cc(CNC(=O)CC(F)(F)F)ccc2Cl)C2CC2)c(Cl)c1 |r| Show InChI InChI=1S/C35H37Cl3F3N3O4/c1-21-14-30(37)33(31(38)15-21)48-13-12-47-26-7-3-23(4-8-26)27-10-11-42-19-28(27)34(46)44(25-5-6-25)20-24-16-22(2-9-29(24)36)18-43-32(45)17-35(39,40)41/h2-4,7-9,14-16,25,27-28,42H,5-6,10-13,17-20H2,1H3,(H,43,45)/t27-,28+/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	6.90	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: 6291-6 (2010) Article DOI: 10.1016/j.bmcl.2010.08.087 BindingDB Entry DOI: 10.7270/Q2H70G2C
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50328860 ((3R,4S)-N-(2-chloro-5-((3,3,3-trifluoropropanamido...) Show SMILES Cc1cc(Cl)c(OCCOc2ccc(cc2)[C@H]2CCNC[C@@H]2C(=O)N(Cc2cc(CNC(=O)CC(F)(F)F)ccc2Cl)C2CC2)c(Cl)c1 |r| Show InChI InChI=1S/C35H37Cl3F3N3O4/c1-21-14-30(37)33(31(38)15-21)48-13-12-47-26-7-3-23(4-8-26)27-10-11-42-19-28(27)34(46)44(25-5-6-25)20-24-16-22(2-9-29(24)36)18-43-32(45)17-35(39,40)41/h2-4,7-9,14-16,25,27-28,42H,5-6,10-13,17-20H2,1H3,(H,43,45)/t27-,28+/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	0.380	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
Renin (Homo sapiens (Human))	BDBM50328860 ((3R,4S)-N-(2-chloro-5-((3,3,3-trifluoropropanamido...) Show SMILES Cc1cc(Cl)c(OCCOc2ccc(cc2)[C@H]2CCNC[C@@H]2C(=O)N(Cc2cc(CNC(=O)CC(F)(F)F)ccc2Cl)C2CC2)c(Cl)c1 |r| Show InChI InChI=1S/C35H37Cl3F3N3O4/c1-21-14-30(37)33(31(38)15-21)48-13-12-47-26-7-3-23(4-8-26)27-10-11-42-19-28(27)34(46)44(25-5-6-25)20-24-16-22(2-9-29(24)36)18-43-32(45)17-35(39,40)41/h2-4,7-9,14-16,25,27-28,42H,5-6,10-13,17-20H2,1H3,(H,43,45)/t27-,28+/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	0.270	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: 6291-6 (2010) Article DOI: 10.1016/j.bmcl.2010.08.087 BindingDB Entry DOI: 10.7270/Q2H70G2C
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50328860 ((3R,4S)-N-(2-chloro-5-((3,3,3-trifluoropropanamido...) Show SMILES Cc1cc(Cl)c(OCCOc2ccc(cc2)[C@H]2CCNC[C@@H]2C(=O)N(Cc2cc(CNC(=O)CC(F)(F)F)ccc2Cl)C2CC2)c(Cl)c1 |r| Show InChI InChI=1S/C35H37Cl3F3N3O4/c1-21-14-30(37)33(31(38)15-21)48-13-12-47-26-7-3-23(4-8-26)27-10-11-42-19-28(27)34(46)44(25-5-6-25)20-24-16-22(2-9-29(24)36)18-43-32(45)17-35(39,40)41/h2-4,7-9,14-16,25,27-28,42H,5-6,10-13,17-20H2,1H3,(H,43,45)/t27-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4 using testosterone as substrate				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