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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'BCR/ABL p210 fusion protein' AND taxid = 9606   
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
BCR/ABL p210 fusion protein


(Homo sapiens)
BDBM50211223
PNG
(CHEMBL3939150)
Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(OC3CCN(CC3)C(=O)c3ccc(C)nc3)c2)CC1
Show InChI InChI=1S/C33H38F3N5O3/c1-22-4-9-27(19-30(22)44-28-10-12-41(13-11-28)32(43)25-6-5-23(2)37-20-25)38-31(42)24-7-8-26(29(18-24)33(34,35)36)21-40-16-14-39(3)15-17-40/h4-9,18-20,28H,10-17,21H2,1-3H3,(H,38,42)
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a<100n/an/an/an/a



High Magnetic Field Laboratory

Curated by ChEMBL


Assay Description
Inhibition of BCR/ABL p210 fusion protein autophosphorylation at Y245 in human K562 cells measured after 2 hrs by immunoblotting


J Med Chem 60: 273-289 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01290
More data for this
Ligand-Target Pair