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PDB code 2ZYB

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 hits Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase Lck

  (285/285 = 100%)
(Homo sapiens (Human))
BDBM50198370
PNG
(CHEMBL223873 | N-(2,6-dimethyl-phenyl)-5-phenylimi...)
Show SMILES Cc1cccc(C)c1Nc1ncc(-c2ccccc2)n2cncc12
Show InChI InChI=1S/C20H18N4/c1-14-7-6-8-15(2)19(14)23-20-18-11-21-13-24(18)17(12-22-20)16-9-4-3-5-10-16/h3-13H,1-2H3,(H,22,23)
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PC cid
PC sid
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Similars

PDB
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of LCK (unknown origin)


Bioorg Med Chem 16: 10311-8 (2008)


Article DOI: 10.1016/j.bmc.2008.10.041
BindingDB Entry DOI: 10.7270/Q2W37W5C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase Lck

  (285/285 = 100%)
(Homo sapiens (Human))
BDBM50080265
PNG
(2-Amino-3-(4-phosphonooxy-phenyl)-propionic acid |...)
Show SMILES NC(Cc1ccc(OP(O)(O)=O)cc1)C(O)=O
Show InChI InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)
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n/an/an/a 4.00E+5n/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against Lck SH2 domain


Bioorg Med Chem Lett 9: 2403-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00403-5
BindingDB Entry DOI: 10.7270/Q2Z89BK7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output