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BDBM50086443 CHEMBL3426232

SMILES: CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3nn(C4CCNCC4)c4ncnc(N)c34)cc2C(F)(F)F)CC1

InChI Key: InChIKey=MFXDORGYVDKPEF-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50086443   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50086443
PNG
(CHEMBL3426232)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3nn(C4CCNCC4)c4ncnc(N)c34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C33H36F3N9O/c1-21-3-4-23(32(46)41-25-7-5-24(27(18-25)33(34,35)36)19-44-15-13-43(2)14-16-44)17-22(21)6-8-28-29-30(37)39-20-40-31(29)45(42-28)26-9-11-38-12-10-26/h3-5,7,17-18,20,26,38H,9-16,19H2,1-2H3,(H,41,46)(H2,37,39,40)
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MMDB

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Similars

Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human Src


J Med Chem 58: 3957-74 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00270
BindingDB Entry DOI: 10.7270/Q2J38V91
More data for this
Ligand-Target Pair