BDBM50020499 CHEMBL3290149

SMILES: Cc1ccc(NC(=O)c2cccc(F)c2)cc1C(=O)Nc1cnc(Nc2cccc(NC(=O)C=C)c2)nc1

InChI Key: InChIKey=MVMAOISKMJGUEX-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50020499   

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))	BDBM50020499 (CHEMBL3290149) Show SMILES Cc1ccc(NC(=O)c2cccc(F)c2)cc1C(=O)Nc1cnc(Nc2cccc(NC(=O)C=C)c2)nc1 Show InChI InChI=1S/C28H23FN6O3/c1-3-25(36)32-20-8-5-9-21(13-20)35-28-30-15-23(16-31-28)34-27(38)24-14-22(11-10-17(24)2)33-26(37)18-6-4-7-19(29)12-18/h3-16H,1H2,2H3,(H,32,36)(H,33,37)(H,34,38)(H,30,31,35)	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	48	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