BDBM50335379 CHEMBL1651532::N-(6-Methylpyridin-3-yl)-4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzylidene)piperidine-1-carboxamide

SMILES: [#6]-c1ccc(-[#7]-[#6](=O)-[#7]-2-[#6]-[#6]\[#6](-[#6]-[#6]-2)=[#6]\c2cccc(-[#8]-c3ccc(cn3)C(F)(F)F)c2)cn1

InChI Key: InChIKey=SCXPFFTVFSPORD-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50335379   

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))	BDBM50335379 (CHEMBL1651532 | N-(6-Methylpyridin-3-yl)-4-(3-{[5-...) Show SMILES [#6]-c1ccc(-[#7]-[#6](=O)-[#7]-2-[#6]-[#6]\[#6](-[#6]-[#6]-2)=[#6]\c2cccc(-[#8]-c3ccc(cn3)C(F)(F)F)c2)cn1 Show InChI InChI=1S/C25H23F3N4O2/c1-17-5-7-21(16-29-17)31-24(33)32-11-9-18(10-12-32)13-19-3-2-4-22(14-19)34-23-8-6-20(15-30-23)25(26,27)28/h2-8,13-16H,9-12H2,1H3,(H,31,33)	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	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 uisng testosterone substrate				ACS Med Chem Lett 2: 91-96 (2011) Article DOI: 10.1021/ml100190t BindingDB Entry DOI: 10.7270/Q25X29WM
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50335379 (CHEMBL1651532 | N-(6-Methylpyridin-3-yl)-4-(3-{[5-...) Show SMILES [#6]-c1ccc(-[#7]-[#6](=O)-[#7]-2-[#6]-[#6]\[#6](-[#6]-[#6]-2)=[#6]\c2cccc(-[#8]-c3ccc(cn3)C(F)(F)F)c2)cn1 Show InChI InChI=1S/C25H23F3N4O2/c1-17-5-7-21(16-29-17)31-24(33)32-11-9-18(10-12-32)13-19-3-2-4-22(14-19)34-23-8-6-20(15-30-23)25(26,27)28/h2-8,13-16H,9-12H2,1H3,(H,31,33)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2D6				ACS Med Chem Lett 2: 91-96 (2011) Article DOI: 10.1021/ml100190t BindingDB Entry DOI: 10.7270/Q25X29WM
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50335379 (CHEMBL1651532 | N-(6-Methylpyridin-3-yl)-4-(3-{[5-...) Show SMILES [#6]-c1ccc(-[#7]-[#6](=O)-[#7]-2-[#6]-[#6]\[#6](-[#6]-[#6]-2)=[#6]\c2cccc(-[#8]-c3ccc(cn3)C(F)(F)F)c2)cn1 Show InChI InChI=1S/C25H23F3N4O2/c1-17-5-7-21(16-29-17)31-24(33)32-11-9-18(10-12-32)13-19-3-2-4-22(14-19)34-23-8-6-20(15-30-23)25(26,27)28/h2-8,13-16H,9-12H2,1H3,(H,31,33)	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	1.18E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 uisng midazolam substrate				ACS Med Chem Lett 2: 91-96 (2011) Article DOI: 10.1021/ml100190t BindingDB Entry DOI: 10.7270/Q25X29WM
					More data for this Ligand-Target Pair