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BDBM50399488 CHEMBL2179808

SMILES: Nc1ncnc2n(nc(-c3cccc(c3)C(=O)NCc3ccc(cc3)C#N)c12)[C@@H]1CCCN(C1)C(=O)C=C

InChI Key: InChIKey=CAUULLGPZQNYLT-ANBDAQEENA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50399488   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50399488
PNG
(CHEMBL2179808)
Show SMILES Nc1ncnc2n(nc(-c3cccc(c3)C(=O)NCc3ccc(cc3)C#N)c12)[C@@H]1CCCN(C1)C(=O)C=C
Show InChI InChI=1/C28H26N8O2/c1-2-23(37)35-12-4-7-22(16-35)36-27-24(26(30)32-17-33-27)25(34-36)20-5-3-6-21(13-20)28(38)31-15-19-10-8-18(14-29)9-11-19/h2-3,5-6,8-11,13,17,22H,1,4,7,12,15-16H2,(H,31,38)(H2,30,32,33)/t22-/s2
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MMDB

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Similars

Article
PubMed
n/an/a 4.08E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Covalent inhibition of ITK in presence of 1 mM ATP


J Med Chem 55: 10047-63 (2012)


Article DOI: 10.1021/jm301190s
BindingDB Entry DOI: 10.7270/Q2M32WWD
More data for this
Ligand-Target Pair