BDBM50533642 CHEMBL4466870

SMILES: CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(NC(=O)c4ccc(F)cn4)c3C)c21)C(N)=O

InChI Key: InChIKey=DPDBPPVFFUOMGZ-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 = 50533642   

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))	BDBM50533642 (CHEMBL4466870) Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(NC(=O)c4ccc(F)cn4)c3C)c21)C(N)=O Show InChI InChI=1S/C32H29FN6O3/c1-18-21(4-3-5-25(18)37-31(41)26-11-7-20(33)17-35-26)22-9-10-24(30(34)40)29-28(22)23-8-6-19(16-27(23)36-29)32(42)39-14-12-38(2)13-15-39/h3-11,16-17,36H,12-15H2,1-2H3,(H2,34,40)(H,37,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of His-tagged full length human recombinant BTK expressed in baculovirus using fluoresceinated peptide substrate after 60 mins by fluoresc...				J Med Chem 59: 7915-35 (2016) Article DOI: 10.1021/acs.jmedchem.6b00722
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