BDBM50039962 CHEMBL3358335

SMILES: CNC(=O)Nc1cc(cn(C)c1=O)-c1ccc(F)c(N2CCc3cc(ccc3C2=O)N(C)C)c1CO

InChI Key: InChIKey=KKGPRNBNMWZGBO-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 = 50039962   

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))	BDBM50039962 (CHEMBL3358335) Show SMILES CNC(=O)Nc1cc(cn(C)c1=O)-c1ccc(F)c(N2CCc3cc(ccc3C2=O)N(C)C)c1CO Show InChI InChI=1S/C26H28FN5O4/c1-28-26(36)29-22-12-16(13-31(4)25(22)35)18-7-8-21(27)23(20(18)14-33)32-10-9-15-11-17(30(2)3)5-6-19(15)24(32)34/h5-8,11-13,33H,9-10,14H2,1-4H3,(H2,28,29,36)	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	3.70E+3	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
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