BDBM50328854 CHEMBL1270661::rac-N-cyclopropyl-4-(4-(2-(2,6-dichloro-4-methylphenoxy)ethoxy)phenyl)-N-(2,3-dimethylbenzyl)piperidine-3-carboxamide

SMILES: Cc1cc(Cl)c(OCCOc2ccc(cc2)[C@H]2CCNC[C@@H]2C(=O)N(Cc2cccc(C)c2C)C2CC2)c(Cl)c1

InChI Key: InChIKey=PEFPYUBFXFOFOB-WDYNHAJCSA-N

Data: 5 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 5 hits for monomerid = 50328854   

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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50328854 (CHEMBL1270661 | rac-N-cyclopropyl-4-(4-(2-(2,6-dic...) Show SMILES Cc1cc(Cl)c(OCCOc2ccc(cc2)[C@H]2CCNC[C@@H]2C(=O)N(Cc2cccc(C)c2C)C2CC2)c(Cl)c1 |r| Show InChI InChI=1S/C33H38Cl2N2O3/c1-21-17-30(34)32(31(35)18-21)40-16-15-39-27-11-7-24(8-12-27)28-13-14-36-19-29(28)33(38)37(26-9-10-26)20-25-6-4-5-22(2)23(25)3/h4-8,11-12,17-18,26,28-29,36H,9-10,13-16,19-20H2,1-3H3/t28-,29+/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	1.10E+4	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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50328854 (CHEMBL1270661 | rac-N-cyclopropyl-4-(4-(2-(2,6-dic...) Show SMILES Cc1cc(Cl)c(OCCOc2ccc(cc2)[C@H]2CCNC[C@@H]2C(=O)N(Cc2cccc(C)c2C)C2CC2)c(Cl)c1 |r| Show InChI InChI=1S/C33H38Cl2N2O3/c1-21-17-30(34)32(31(35)18-21)40-16-15-39-27-11-7-24(8-12-27)28-13-14-36-19-29(28)33(38)37(26-9-10-26)20-25-6-4-5-22(2)23(25)3/h4-8,11-12,17-18,26,28-29,36H,9-10,13-16,19-20H2,1-3H3/t28-,29+/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	>7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4				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))	BDBM50328854 (CHEMBL1270661 | rac-N-cyclopropyl-4-(4-(2-(2,6-dic...) Show SMILES Cc1cc(Cl)c(OCCOc2ccc(cc2)[C@H]2CCNC[C@@H]2C(=O)N(Cc2cccc(C)c2C)C2CC2)c(Cl)c1 |r| Show InChI InChI=1S/C33H38Cl2N2O3/c1-21-17-30(34)32(31(35)18-21)40-16-15-39-27-11-7-24(8-12-27)28-13-14-36-19-29(28)33(38)37(26-9-10-26)20-25-6-4-5-22(2)23(25)3/h4-8,11-12,17-18,26,28-29,36H,9-10,13-16,19-20H2,1-3H3/t28-,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
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))	BDBM50328854 (CHEMBL1270661 | rac-N-cyclopropyl-4-(4-(2-(2,6-dic...) Show SMILES Cc1cc(Cl)c(OCCOc2ccc(cc2)[C@H]2CCNC[C@@H]2C(=O)N(Cc2cccc(C)c2C)C2CC2)c(Cl)c1 |r| Show InChI InChI=1S/C33H38Cl2N2O3/c1-21-17-30(34)32(31(35)18-21)40-16-15-39-27-11-7-24(8-12-27)28-13-14-36-19-29(28)33(38)37(26-9-10-26)20-25-6-4-5-22(2)23(25)3/h4-8,11-12,17-18,26,28-29,36H,9-10,13-16,19-20H2,1-3H3/t28-,29+/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	7.40E+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
Renin (Homo sapiens (Human))	BDBM50328854 (CHEMBL1270661 | rac-N-cyclopropyl-4-(4-(2-(2,6-dic...) Show SMILES Cc1cc(Cl)c(OCCOc2ccc(cc2)[C@H]2CCNC[C@@H]2C(=O)N(Cc2cccc(C)c2C)C2CC2)c(Cl)c1 |r| Show InChI InChI=1S/C33H38Cl2N2O3/c1-21-17-30(34)32(31(35)18-21)40-16-15-39-27-11-7-24(8-12-27)28-13-14-36-19-29(28)33(38)37(26-9-10-26)20-25-6-4-5-22(2)23(25)3/h4-8,11-12,17-18,26,28-29,36H,9-10,13-16,19-20H2,1-3H3/t28-,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	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