BDBM50254487 CHEMBL4060024

SMILES: Fc1ccc(Nc2n[nH]c3cc(OC(F)(F)F)ccc23)cc1F

InChI Key: InChIKey=UIGLXZWGNZLPBE-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 = 50254487   

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
Transient receptor potential cation channel subfamily A member 1 (Rattus norvegicus)	BDBM50254487 (CHEMBL4060024) Show SMILES Fc1ccc(Nc2n[nH]c3cc(OC(F)(F)F)ccc23)cc1F Show InChI InChI=1S/C14H8F5N3O/c15-10-4-1-7(5-11(10)16)20-13-9-3-2-8(23-14(17,18)19)6-12(9)21-22-13/h1-6H,(H2,20,21,22)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Worldwide Medicinal Chemistry, Neuroscience and Pain Research Unit, Portway Building, Granta Park, Great Abington, Cambridgeshire CB21 6GS, U.K. Curated by ChEMBL					Assay Description Inhibition of full length rat TRPA1 at a holding potential of 15 mV measured after 1 min by PatchXpress electrophysiology assay				ACS Med Chem Lett 8: 666-671 (2017) Article DOI: 10.1021/acsmedchemlett.7b00140 BindingDB Entry DOI: 10.7270/Q2C24ZWG
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50254487 (CHEMBL4060024) Show SMILES Fc1ccc(Nc2n[nH]c3cc(OC(F)(F)F)ccc23)cc1F Show InChI InChI=1S/C14H8F5N3O/c15-10-4-1-7(5-11(10)16)20-13-9-3-2-8(23-14(17,18)19)6-12(9)21-22-13/h1-6H,(H2,20,21,22)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	131	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Worldwide Medicinal Chemistry, Neuroscience and Pain Research Unit, Portway Building, Granta Park, Great Abington, Cambridgeshire CB21 6GS, U.K. Curated by ChEMBL					Assay Description Antagonist activity at human TRPA1 by calcium flux based FLIPR assay				ACS Med Chem Lett 8: 666-671 (2017) Article DOI: 10.1021/acsmedchemlett.7b00140 BindingDB Entry DOI: 10.7270/Q2C24ZWG
					More data for this Ligand-Target Pair