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BDBM50131152 2-[2-(2-Hydroxy-2-methyl-propylamino)-6-methyl-pyrimidin-4-ylamino]-benzothiazole-6-carboxylic acid (2-chloro-6-methyl-phenyl)-amide::CHEMBL87102

SMILES: Cc1cc(Nc2nc3ccc(cc3s2)C(=O)Nc2c(C)cccc2Cl)nc(NCC(C)(C)O)n1

InChI Key: InChIKey=QXCJTHGNYGKRDA-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50131152   
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 Lck


(Homo sapiens (Human))
BDBM50131152
PNG
(2-[2-(2-Hydroxy-2-methyl-propylamino)-6-methyl-pyr...)
Show SMILES Cc1cc(Nc2nc3ccc(cc3s2)C(=O)Nc2c(C)cccc2Cl)nc(NCC(C)(C)O)n1
Show InChI InChI=1S/C24H25ClN6O2S/c1-13-6-5-7-16(25)20(13)31-21(32)15-8-9-17-18(11-15)34-23(28-17)30-19-10-14(2)27-22(29-19)26-12-24(3,4)33/h5-11,33H,12H2,1-4H3,(H,31,32)(H2,26,27,28,29,30)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 6n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human p56 Lck tyrosine kinase


Bioorg Med Chem Lett 13: 2587-90 (2003)


BindingDB Entry DOI: 10.7270/Q2FX78V4
More data for this
Ligand-Target Pair