BDBM50044833 CHEMBL3311184

SMILES: CCCNc1cc(NC(=O)c2ccccc2)cc(c1)C(F)(F)F

InChI Key: InChIKey=CSKJIIXTWHNKSV-UHFFFAOYSA-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 = 50044833   

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 1A2 (Homo sapiens (Human))	BDBM50044833 (CHEMBL3311184) Show SMILES CCCNc1cc(NC(=O)c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C17H17F3N2O/c1-2-8-21-14-9-13(17(18,19)20)10-15(11-14)22-16(23)12-6-4-3-5-7-12/h3-7,9-11,21H,2,8H2,1H3,(H,22,23)	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	140	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Competitive inhibition of CYP1A2 in human liver microsomes by LC-MS/MS analysis				Bioorg Med Chem Lett 24: 3204-6 (2014) Article DOI: 10.1016/j.bmcl.2014.05.013 BindingDB Entry DOI: 10.7270/Q2H41T2V
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50044833 (CHEMBL3311184) Show SMILES CCCNc1cc(NC(=O)c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C17H17F3N2O/c1-2-8-21-14-9-13(17(18,19)20)10-15(11-14)22-16(23)12-6-4-3-5-7-12/h3-7,9-11,21H,2,8H2,1H3,(H,22,23)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at human TRPA1 expressed in HEK293-TREx cells assessed as change in calcium level by Fluo-4NW assay				Bioorg Med Chem Lett 24: 3204-6 (2014) Article DOI: 10.1016/j.bmcl.2014.05.013 BindingDB Entry DOI: 10.7270/Q2H41T2V
					More data for this Ligand-Target Pair