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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 = 'BDBM50403001'   
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))
BDBM50403001
PNG
(CHEMBL2207438)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cc(n[nH]1)-c1ccc2OCCOc2c1)C(C)(C)C
Show InChI InChI=1S/C26H28N6O3/c1-16-5-8-18(9-6-16)32-24(15-22(31-32)26(2,3)4)28-25(33)27-23-14-19(29-30-23)17-7-10-20-21(13-17)35-12-11-34-20/h5-10,13-15H,11-12H2,1-4H3,(H3,27,28,29,30,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 69n/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)
BDBM50403001
PNG
(CHEMBL2207438)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cc(n[nH]1)-c1ccc2OCCOc2c1)C(C)(C)C
Show InChI InChI=1S/C26H28N6O3/c1-16-5-8-18(9-6-16)32-24(15-22(31-32)26(2,3)4)28-25(33)27-23-14-19(29-30-23)17-7-10-20-21(13-17)35-12-11-34-20/h5-10,13-15H,11-12H2,1-4H3,(H3,27,28,29,30,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 328n/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