BDBM50334950 CHEMBL1594422::N,N-Dimethyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]benzamide

SMILES: CN(C)C(=O)c1ccc(cc1)-n1nc(c2CCCCc12)C(F)(F)F

InChI Key: InChIKey=UDKLBQULCJTEOC-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 1 hit for monomerid = 50334950   

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 2D6 (Homo sapiens (Human))	BDBM50334950 (CHEMBL1594422 | N,N-Dimethyl-4-[3-(trifluoromethyl...) Show SMILES CN(C)C(=O)c1ccc(cc1)-n1nc(c2CCCCc12)C(F)(F)F Show InChI InChI=1S/C17H18F3N3O/c1-22(2)16(24)11-7-9-12(10-8-11)23-14-6-4-3-5-13(14)15(21-23)17(18,19)20/h7-10H,3-6H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Sussex Curated by ChEMBL					Assay Description Inhibition of human CYP2D6 by fluorescence assay				J Med Chem 54: 78-94 (2011) Article DOI: 10.1021/jm100679e BindingDB Entry DOI: 10.7270/Q21C1XVG
					More data for this Ligand-Target Pair