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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 = 'BDBM50092240'   
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))
BDBM50092240
PNG
(5-[4-(3-Amino-phenoxy)-phenyl]-7-tert-butyl-7H-pyr...)
Show SMILES CC(C)(C)n1cc(-c2ccc(Oc3cccc(N)c3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C22H23N5O/c1-22(2,3)27-12-18(19-20(24)25-13-26-21(19)27)14-7-9-16(10-8-14)28-17-6-4-5-15(23)11-17/h4-13H,23H2,1-3H3,(H2,24,25,26)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a<3n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase (catalytic domain)


Bioorg Med Chem Lett 10: 2171-4 (2001)


BindingDB Entry DOI: 10.7270/Q2DB813K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50092240
PNG
(5-[4-(3-Amino-phenoxy)-phenyl]-7-tert-butyl-7H-pyr...)
Show SMILES CC(C)(C)n1cc(-c2ccc(Oc3cccc(N)c3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C22H23N5O/c1-22(2,3)27-12-18(19-20(24)25-13-26-21(19)27)14-7-9-16(10-8-14)28-17-6-4-5-15(23)11-17/h4-13H,23H2,1-3H3,(H2,24,25,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 15n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase (catalytic domain)


Bioorg Med Chem Lett 10: 2171-4 (2001)


BindingDB Entry DOI: 10.7270/Q2DB813K
More data for this
Ligand-Target Pair