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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'PTK2B protein tyrosine kinase 2 beta (PTK2B)' and Ligand = 'BDBM50318872'   
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
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM50318872
PNG
(1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(3-((...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cc(COc2cccnc2)n[nH]1)C(C)(C)C
Show InChI InChI=1S/C24H27N7O2/c1-16-7-9-18(10-8-16)31-22(13-20(30-31)24(2,3)4)27-23(32)26-21-12-17(28-29-21)15-33-19-6-5-11-25-14-19/h5-14H,15H2,1-4H3,(H3,26,27,28,29,32)
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CHEMBL
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 637n/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
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM50318872
PNG
(1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(3-((...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cc(COc2cccnc2)n[nH]1)C(C)(C)C
Show InChI InChI=1S/C24H27N7O2/c1-16-7-9-18(10-8-16)31-22(13-20(30-31)24(2,3)4)27-23(32)26-21-12-17(28-29-21)15-33-19-6-5-11-25-14-19/h5-14H,15H2,1-4H3,(H3,26,27,28,29,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 637n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PYK2


J Med Chem 53: 4332-53 (2010)


Article DOI: 10.1021/jm9018756
BindingDB Entry DOI: 10.7270/Q21R6QPF
More data for this
Ligand-Target Pair