BDBM50020470 CHEMBL3290137

SMILES: Cc1ccc(NC(=O)c2cc(Cl)cc(c2)C(F)(F)F)cc1C(=O)Nc1cnc(Nc2cccc(N)c2)nc1

InChI Key: InChIKey=FLSDCADKYFINPQ-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50020470   

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
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50020470 (CHEMBL3290137) Show SMILES Cc1ccc(NC(=O)c2cc(Cl)cc(c2)C(F)(F)F)cc1C(=O)Nc1cnc(Nc2cccc(N)c2)nc1 Show InChI InChI=1S/C26H20ClF3N6O2/c1-14-5-6-20(34-23(37)15-7-16(26(28,29)30)9-17(27)8-15)11-22(14)24(38)35-21-12-32-25(33-13-21)36-19-4-2-3-18(31)10-19/h2-13H,31H2,1H3,(H,34,37)(H,35,38)(H,32,33,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of Btk (unknown origin) after 1 hr by HTRF assay				J Med Chem 57: 5112-28 (2014) Article DOI: 10.1021/jm4017762 BindingDB Entry DOI: 10.7270/Q2NK3GKX
					More data for this Ligand-Target Pair