null

SMILES: NC(=O)c1cc2cc(Br)c(nc2nc1N)C(F)(F)F

InChI Key: InChIKey=CENBBVPSOFGGNG-UHFFFAOYSA-N

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 3 hits for monomerid = 50395799   

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))	BDBM50395799 (CHEMBL2163365) Show SMILES NC(=O)c1cc2cc(Br)c(nc2nc1N)C(F)(F)F Show InChI InChI=1S/C10H6BrF3N4O/c11-5-2-3-1-4(8(16)19)7(15)18-9(3)17-6(5)10(12,13)14/h1-2H,(H2,16,19)(H2,15,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of human CYP3A4				Bioorg Med Chem Lett 22: 6705-11 (2012) Article DOI: 10.1016/j.bmcl.2012.08.094 BindingDB Entry DOI: 10.7270/Q27W6D91
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50395799 (CHEMBL2163365) Show SMILES NC(=O)c1cc2cc(Br)c(nc2nc1N)C(F)(F)F Show InChI InChI=1S/C10H6BrF3N4O/c11-5-2-3-1-4(8(16)19)7(15)18-9(3)17-6(5)10(12,13)14/h1-2H,(H2,16,19)(H2,15,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of human CYP2C9				Bioorg Med Chem Lett 22: 6705-11 (2012) Article DOI: 10.1016/j.bmcl.2012.08.094 BindingDB Entry DOI: 10.7270/Q27W6D91
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50395799 (CHEMBL2163365) Show SMILES NC(=O)c1cc2cc(Br)c(nc2nc1N)C(F)(F)F Show InChI InChI=1S/C10H6BrF3N4O/c11-5-2-3-1-4(8(16)19)7(15)18-9(3)17-6(5)10(12,13)14/h1-2H,(H2,16,19)(H2,15,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of human CYP2D6				Bioorg Med Chem Lett 22: 6705-11 (2012) Article DOI: 10.1016/j.bmcl.2012.08.094 BindingDB Entry DOI: 10.7270/Q27W6D91
					More data for this Ligand-Target Pair