BDBM50039976 CHEMBL3358342

SMILES: CCN1CCN(CC1)c1ccc(Nc2cc(cn(C)c2=O)-c2cccc(c2CO)-n2ccc3cc(ccc3c2=O)C2CC2)nc1

InChI Key: InChIKey=ZBEHGOVQAUSDTC-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 = 50039976   

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))	BDBM50039976 (CHEMBL3358342) Show SMILES CCN1CCN(CC1)c1ccc(Nc2cc(cn(C)c2=O)-c2cccc(c2CO)-n2ccc3cc(ccc3c2=O)C2CC2)nc1 Show InChI InChI=1S/C36H38N6O3/c1-3-40-15-17-41(18-16-40)28-10-12-34(37-21-28)38-32-20-27(22-39(2)36(32)45)29-5-4-6-33(31(29)23-43)42-14-13-26-19-25(24-7-8-24)9-11-30(26)35(42)44/h4-6,9-14,19-22,24,43H,3,7-8,15-18,23H2,1-2H3,(H,37,38)	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	1.60E+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
					More data for this Ligand-Target Pair