BDBM50039982 CHEMBL3358345

SMILES: CCN1CCN(CC1)c1ccc(Nc2cc(cn(C)c2=O)-c2cccc(c2CO)-n2ncc3cc(cc(F)c3c2=O)C(C)(C)C)nc1

InChI Key: InChIKey=WTOWDDDTXKWNMY-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 = 50039982   

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))	BDBM50039982 (CHEMBL3358345) Show SMILES CCN1CCN(CC1)c1ccc(Nc2cc(cn(C)c2=O)-c2cccc(c2CO)-n2ncc3cc(cc(F)c3c2=O)C(C)(C)C)nc1 Show InChI InChI=1S/C36H40FN7O3/c1-6-42-12-14-43(15-13-42)26-10-11-32(38-20-26)40-30-17-24(21-41(5)34(30)46)27-8-7-9-31(28(27)22-45)44-35(47)33-23(19-39-44)16-25(18-29(33)37)36(2,3)4/h7-11,16-21,45H,6,12-15,22H2,1-5H3,(H,38,40)	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	2	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibition of BTK in human whole blood assessed as decrease in CD69 positive cells				Bioorg Med Chem Lett 25: 367-71 (2014) Article DOI: 10.1016/j.bmcl.2014.11.030 BindingDB Entry DOI: 10.7270/Q2BZ67N2
					More data for this Ligand-Target Pair