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BDBM50186468 CHEMBL206905::N-(5-(5-(1-acetylpiperazine-4-carbonyl)-2,4-dimethylphenylthio)thiazol-2-yl)-4-(dimethylamino)benzamide

SMILES: CN(C)c1ccc(cc1)C(=O)Nc1ncc(Sc2cc(C(=O)N3CCN(CC3)C(C)=O)c(C)cc2C)s1

InChI Key: InChIKey=VTEDTZHIHRZSDP-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50186468   
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))
BDBM50186468
PNG
(CHEMBL206905 | N-(5-(5-(1-acetylpiperazine-4-carbo...)
Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1ncc(Sc2cc(C(=O)N3CCN(CC3)C(C)=O)c(C)cc2C)s1
Show InChI InChI=1S/C27H31N5O3S2/c1-17-14-18(2)23(15-22(17)26(35)32-12-10-31(11-13-32)19(3)33)36-24-16-28-27(37-24)29-25(34)20-6-8-21(9-7-20)30(4)5/h6-9,14-16H,10-13H2,1-5H3,(H,28,29,34)
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Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Itk


Bioorg Med Chem Lett 16: 3706-12 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.060
BindingDB Entry DOI: 10.7270/Q20C4VBR
More data for this
Ligand-Target Pair