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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 = 'BDBM209858'   
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))
BDBM209858
PNG
(Danusertib | N-[5-[(2R)-2-methoxy-2-phenylacetyl]-...)
Show SMILES CO[C@@H](C(=O)N1Cc2[nH]nc(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2C1)c1ccccc1
Show InChI InChI=1S/C26H30N6O3/c1-30-12-14-31(15-13-30)20-10-8-19(9-11-20)25(33)27-24-21-16-32(17-22(21)28-29-24)26(34)23(35-2)18-6-4-3-5-7-18/h3-11,23H,12-17H2,1-2H3,(H2,27,28,29,33)/t23-/m1/s1
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PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 4.40n/an/an/an/an/an/a



Technical University of Munich



Assay Description
Refer to Reaction Biology Corps.


ACS Chem Biol 11: 3400-3411 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ephrin type-A receptor 2 (EPHA2)


(Homo sapiens (Human))
BDBM209858
PNG
(Danusertib | N-[5-[(2R)-2-methoxy-2-phenylacetyl]-...)
Show SMILES CO[C@@H](C(=O)N1Cc2[nH]nc(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2C1)c1ccccc1
Show InChI InChI=1S/C26H30N6O3/c1-30-12-14-31(15-13-30)20-10-8-19(9-11-20)25(33)27-24-21-16-32(17-22(21)28-29-24)26(34)23(35-2)18-6-4-3-5-7-18/h3-11,23H,12-17H2,1-2H3,(H2,27,28,29,33)/t23-/m1/s1
PDB

GoogleScholar
AffyNet 
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PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/a 9n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)