BDBM50062940 CHEMBL3397910

SMILES: COCCOc1ccc(Nc2ncc(F)c(n2)N(C)c2cccc(NC(=O)C=C)c2)cc1

InChI Key: InChIKey=ROCMUNZQDNSPEA-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 = 50062940   

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))	BDBM50062940 (CHEMBL3397910) Show SMILES COCCOc1ccc(Nc2ncc(F)c(n2)N(C)c2cccc(NC(=O)C=C)c2)cc1 Show InChI InChI=1S/C23H24FN5O3/c1-4-21(30)26-17-6-5-7-18(14-17)29(2)22-20(24)15-25-23(28-22)27-16-8-10-19(11-9-16)32-13-12-31-3/h4-11,14-15H,1,12-13H2,2-3H3,(H,26,30)(H,25,27,28)	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	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of BTK (unknown origin) using ATP and Y5 Sox15 substrate mix incubated for 30 mins by fluorescence based assay				Bioorg Med Chem Lett 25: 998-1008 (2015) Article DOI: 10.1016/j.bmcl.2014.12.076 BindingDB Entry DOI: 10.7270/Q28S4RMQ
					More data for this Ligand-Target Pair