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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50120098   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50120098
PNG
(CHEMBL322598 | N*4*-(2-Chloro-6-methyl-phenyl)-8-m...)
Show SMILES COc1cc2c(cc1NCCN1CCOCC1)nc(Nc1c(C)cccc1Cl)c1cncn21
Show InChI InChI=1S/C24H27ClN6O2/c1-16-4-3-5-17(25)23(16)29-24-21-14-26-15-31(21)20-13-22(32-2)19(12-18(20)28-24)27-6-7-30-8-10-33-11-9-30/h3-5,12-15,27H,6-11H2,1-2H3,(H,28,29)
PDB

UniProtKB/SwissProt

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PC sid
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Similars

Article
PubMed
n/an/a 5.40n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of Lck


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50120098
PNG
(CHEMBL322598 | N*4*-(2-Chloro-6-methyl-phenyl)-8-m...)
Show SMILES COc1cc2c(cc1NCCN1CCOCC1)nc(Nc1c(C)cccc1Cl)c1cncn21
Show InChI InChI=1S/C24H27ClN6O2/c1-16-4-3-5-17(25)23(16)29-24-21-14-26-15-31(21)20-13-22(32-2)19(12-18(20)28-24)27-6-7-30-8-10-33-11-9-30/h3-5,12-15,27H,6-11H2,1-2H3,(H,28,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 5.40n/an/an/an/an/an/a



Bristol Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
50% inhibition of the phosphorylation of an exogenous substrate by human Lck enzyme.


Bioorg Med Chem Lett 12: 3153-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NC60JR
More data for this
Ligand-Target Pair