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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Protein-tyrosine kinase 2-beta' and Ligand = 'BDBM50403002'   
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
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))
BDBM50403002
PNG
(CHEMBL2207430)
Show SMILES CCOCCCNC(=O)c1cc2cccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c2[nH]1
Show InChI InChI=1S/C29H36N6O3/c1-6-38-16-8-15-30-27(36)23-17-20-9-7-10-22(26(20)31-23)32-28(37)33-25-18-24(29(3,4)5)34-35(25)21-13-11-19(2)12-14-21/h7,9-14,17-18,31H,6,8,15-16H2,1-5H3,(H,30,36)(H2,32,33,37)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 75n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His-tagged PYK2 using ATP as substrate incubated for 1 hr prior to substrate addition


Bioorg Med Chem Lett 22: 7523-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.039
BindingDB Entry DOI: 10.7270/Q2319X2C
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Mus musculus)
BDBM50403002
PNG
(CHEMBL2207430)
Show SMILES CCOCCCNC(=O)c1cc2cccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c2[nH]1
Show InChI InChI=1S/C29H36N6O3/c1-6-38-16-8-15-30-27(36)23-17-20-9-7-10-22(26(20)31-23)32-28(37)33-25-18-24(29(3,4)5)34-35(25)21-13-11-19(2)12-14-21/h7,9-14,17-18,31H,6,8,15-16H2,1-5H3,(H,30,36)(H2,32,33,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 283n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PYK2 in mouse NIH-3T3 cells by LI-COR assay


Bioorg Med Chem Lett 22: 7523-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.039
BindingDB Entry DOI: 10.7270/Q2319X2C
More data for this
Ligand-Target Pair