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BDBM50128850 2-(16-Chloro-17,19-dihydroxy-4-methyl-2-oxo-3,7-dioxa-tricyclo[13.4.0.0*6,8*]nonadeca-1(19),9,11,15,17-pentaen-13-ylideneaminooxy)-N-pyridin-3-yl-acetamide::CHEMBL83305

SMILES: C[C@@H]1C[C@H]2O[C@@H]2\C=C/C=C/C(/Cc2c(Cl)c(O)cc(O)c2C(=O)O1)=N\OCC(=O)Nc1cccnc1

InChI Key: InChIKey=XMJMCHDPQSBEPP-ZJVMQZEVSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50128850   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Proto-oncogene tyrosine-protein kinase Src


(Rattus norvegicus)
BDBM50128850
PNG
(2-(16-Chloro-17,19-dihydroxy-4-methyl-2-oxo-3,7-di...)
Show SMILES C[C@@H]1C[C@H]2O[C@@H]2\C=C/C=C/C(/Cc2c(Cl)c(O)cc(O)c2C(=O)O1)=N\OCC(=O)Nc1cccnc1 |c:7,t:9|
Show InChI InChI=1S/C25H24ClN3O7/c1-14-9-21-20(36-21)7-3-2-5-15(29-34-13-22(32)28-16-6-4-8-27-12-16)10-17-23(25(33)35-14)18(30)11-19(31)24(17)26/h2-8,11-12,14,20-21,30-31H,9-10,13H2,1H3,(H,28,32)/b5-2+,7-3-,29-15+/t14-,20-,21-/m1/s1
PDB
MMDB

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PC sid
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Similars

Article
PubMed
n/an/a 54n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of v-Src tyrosine kinase autophosphorylation in SR3Y1 cells after 15 hr exposure


J Med Chem 46: 2534-41 (2003)


Article DOI: 10.1021/jm030110r
BindingDB Entry DOI: 10.7270/Q2H41QTG
More data for this
Ligand-Target Pair