BDBM50044839 CHEMBL3311190

SMILES: CCCNc1cc(NC(=O)c2c(F)cccc2F)cc(c1)C(F)(F)F

InChI Key: InChIKey=OOYSDFNECMAJEG-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 = 50044839   

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))	BDBM50044839 (CHEMBL3311190) Show SMILES CCCNc1cc(NC(=O)c2c(F)cccc2F)cc(c1)C(F)(F)F Show InChI InChI=1S/C17H15F5N2O/c1-2-6-23-11-7-10(17(20,21)22)8-12(9-11)24-16(25)15-13(18)4-3-5-14(15)19/h3-5,7-9,23H,2,6H2,1H3,(H,24,25)	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	1.50E+3	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))	BDBM50044839 (CHEMBL3311190) Show SMILES CCCNc1cc(NC(=O)c2c(F)cccc2F)cc(c1)C(F)(F)F Show InChI InChI=1S/C17H15F5N2O/c1-2-6-23-11-7-10(17(20,21)22)8-12(9-11)24-16(25)15-13(18)4-3-5-14(15)19/h3-5,7-9,23H,2,6H2,1H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	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