BDBM50123552 CHEMBL3621519

SMILES: CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(NC(=O)c4ccccc4)c3C)c21)C(N)=O

InChI Key: InChIKey=ZSRQAHYBCDVDRA-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 = 50123552   

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))	BDBM50123552 (CHEMBL3621519) Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(NC(=O)c4ccccc4)c3C)c21)C(N)=O Show InChI InChI=1S/C33H31N5O3/c1-20-23(9-6-10-27(20)36-32(40)21-7-4-3-5-8-21)24-13-14-26(31(34)39)30-29(24)25-12-11-22(19-28(25)35-30)33(41)38-17-15-37(2)16-18-38/h3-14,19,35H,15-18H2,1-2H3,(H2,34,39)(H,36,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant BTK				Bioorg Med Chem Lett 25: 4265-9 (2015) BindingDB Entry DOI: 10.7270/Q2251M17
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