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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase Lck' and Ligand = 'BDBM50116391'   
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))
BDBM50116391
PNG
(2-(2,6-Dichloro-phenylamino)-6,7-dimethyl-1,8-dihy...)
Show SMILES Cc1[nH]c(=O)c2c3nc(Nc4c(Cl)cccc4Cl)[nH]c3ccc2c1C
Show InChI InChI=1S/C18H14Cl2N4O/c1-8-9(2)21-17(25)14-10(8)6-7-13-16(14)24-18(22-13)23-15-11(19)4-3-5-12(15)20/h3-7H,1-2H3,(H,21,25)(H2,22,23,24)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 26n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human p56 Lck tyrosine kinase


J Med Chem 45: 3394-405 (2002)


BindingDB Entry DOI: 10.7270/Q2CJ8CTW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50116391
PNG
(2-(2,6-Dichloro-phenylamino)-6,7-dimethyl-1,8-dihy...)
Show SMILES Cc1[nH]c(=O)c2c3nc(Nc4c(Cl)cccc4Cl)[nH]c3ccc2c1C
Show InChI InChI=1S/C18H14Cl2N4O/c1-8-9(2)21-17(25)14-10(8)6-7-13-16(14)24-18(22-13)23-15-11(19)4-3-5-12(15)20/h3-7H,1-2H3,(H,21,25)(H2,22,23,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase


J Med Chem 46: 1337-49 (2003)


Article DOI: 10.1021/jm020446l
BindingDB Entry DOI: 10.7270/Q2DN44FW
More data for this
Ligand-Target Pair