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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Ephrin type-A receptor 2 (EPHA2)' and Ligand = 'BDBM209859'   
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
Ephrin type-A receptor 2 (EPHA2)


(Homo sapiens (Human))
BDBM209859
PNG
(4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methylpip...)
Show SMILES CC(C)c1cc(CNc2nc(Nc3cc([nH]n3)C3CC3)cc(n2)N2CCN(C)CC2)on1
Show InChI InChI=1S/C22H31N9O/c1-14(2)17-10-16(32-29-17)13-23-22-25-19(24-20-11-18(27-28-20)15-4-5-15)12-21(26-22)31-8-6-30(3)7-9-31/h10-12,14-15H,4-9,13H2,1-3H3,(H3,23,24,25,26,27,28)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Technical University of Munich



Assay Description
Refer to Reaction Biology Corps.


ACS Chem Biol 11: 3400-3411 (2016)


Article DOI: 10.1021/acschembio.6b00709
BindingDB Entry DOI: 10.7270/Q2TD9W5M
More data for this
Ligand-Target Pair
Ephrin type-A receptor 2 (EPHA2)


(Homo sapiens (Human))
BDBM209859
PNG
(4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methylpip...)
Show SMILES CC(C)c1cc(CNc2nc(Nc3cc([nH]n3)C3CC3)cc(n2)N2CCN(C)CC2)on1
Show InChI InChI=1S/C22H31N9O/c1-14(2)17-10-16(32-29-17)13-23-22-25-19(24-20-11-18(27-28-20)15-4-5-15)12-21(26-22)31-8-6-30(3)7-9-31/h10-12,14-15H,4-9,13H2,1-3H3,(H3,23,24,25,26,27,28)
PDB

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 19n/an/an/an/an/a



Technical University of Munich



Assay Description
Kinobeads competition assays were performed in 96-well format as previously described using mixed protein lysates of four cancer cell lines (K-562, M...


ACS Chem Biol 11: 3400-3411 (2016)


Article DOI: 10.1021/acschembio.6b00709
BindingDB Entry DOI: 10.7270/Q2TD9W5M
More data for this
Ligand-Target Pair