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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50246059   
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))		BDBM50246059
PNG
(CHEMBL472211 | N4-((1R,2R)-2-Dimethylamino-cyclope...)
Show SMILES CN(C)[C@@H]1CCC[C@H]1Nc1nc(Nc2ccc3c(CCS3(=O)=O)c2)ncc1C(F)(F)F |r|
Show InChI InChI=1S/C20H24F3N5O2S/c1-28(2)16-5-3-4-15(16)26-18-14(20(21,22)23)11-24-19(27-18)25-13-6-7-17-12(10-13)8-9-31(17,29)30/h6-7,10-11,15-16H,3-5,8-9H2,1-2H3,(H2,24,25,26,27)/t15-,16-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 67n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged pyk2 (unknown origin) assessed as inhibition of poly-Glu-Tyr phosphorylation

Bioorg Med Chem Lett 18: 6071-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.030
BindingDB Entry DOI: 10.7270/Q2C8295H
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50246059
PNG
(CHEMBL472211 | N4-((1R,2R)-2-Dimethylamino-cyclope...)
Show SMILES CN(C)[C@@H]1CCC[C@H]1Nc1nc(Nc2ccc3c(CCS3(=O)=O)c2)ncc1C(F)(F)F |r|
Show InChI InChI=1S/C20H24F3N5O2S/c1-28(2)16-5-3-4-15(16)26-18-14(20(21,22)23)11-24-19(27-18)25-13-6-7-17-12(10-13)8-9-31(17,29)30/h6-7,10-11,15-16H,3-5,8-9H2,1-2H3,(H2,24,25,26,27)/t15-,16-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 623n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged FAK (unknown origin) assessed as inhibition of poly-Glu-Tyr phosphorylation

Bioorg Med Chem Lett 18: 6071-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.030
BindingDB Entry DOI: 10.7270/Q2C8295H
More data for this
Ligand-Target Pair