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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50418580   
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))
BDBM50418580
PNG
(CHEMBL2029182)
Show SMILES CC(C)NS(=C)(=O)c1ccc(Nc2ncc(c(N[C@@H]3CCC[C@H]3N(C)C)n2)C(F)(F)F)cc1 |r|
Show InChI InChI=1S/C22H31F3N6OS/c1-14(2)30-33(5,32)16-11-9-15(10-12-16)27-21-26-13-17(22(23,24)25)20(29-21)28-18-7-6-8-19(18)31(3)4/h9-14,18-19H,5-8H2,1-4H3,(H,30,32)(H2,26,27,28,29)/t18-,19-,33?/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PYK2 assessed as reduction in peptide substrate phosphoryltion by fluorimetric method


Bioorg Med Chem Lett 19: 3253-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.093
BindingDB Entry DOI: 10.7270/Q2GH9J96
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))
BDBM50418580
PNG
(CHEMBL2029182)
Show SMILES CC(C)NS(=C)(=O)c1ccc(Nc2ncc(c(N[C@@H]3CCC[C@H]3N(C)C)n2)C(F)(F)F)cc1 |r|
Show InChI InChI=1S/C22H31F3N6OS/c1-14(2)30-33(5,32)16-11-9-15(10-12-16)27-21-26-13-17(22(23,24)25)20(29-21)28-18-7-6-8-19(18)31(3)4/h9-14,18-19H,5-8H2,1-4H3,(H,30,32)(H2,26,27,28,29)/t18-,19-,33?/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 34n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PYK2 by PYK2-LI-COR cellular assay


Bioorg Med Chem Lett 19: 3253-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.093
BindingDB Entry DOI: 10.7270/Q2GH9J96
More data for this
Ligand-Target Pair