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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase SRC' and Monomerid = 50183336   
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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50183336
PNG
(1-(2-bromo-2-phenylethyl)-N-butyl-1H-pyrazolo[3,4-...)
Show SMILES CCCCNc1ncnc2n(CC(Br)c3ccccc3)ncc12
Show InChI InChI=1S/C17H20BrN5/c1-2-3-9-19-16-14-10-22-23(17(14)21-12-20-16)11-15(18)13-7-5-4-6-8-13/h4-8,10,12,15H,2-3,9,11H2,1H3,(H,19,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.90E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibitory activity against Src in cell free assay


J Med Chem 49: 1549-61 (2006)


Article DOI: 10.1021/jm050603r
BindingDB Entry DOI: 10.7270/Q27H1J6N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50183336
PNG
(1-(2-bromo-2-phenylethyl)-N-butyl-1H-pyrazolo[3,4-...)
Show SMILES CCCCNc1ncnc2n(CC(Br)c3ccccc3)ncc12
Show InChI InChI=1S/C17H20BrN5/c1-2-3-9-19-16-14-10-22-23(17(14)21-12-20-16)11-15(18)13-7-5-4-6-8-13/h4-8,10,12,15H,2-3,9,11H2,1H3,(H,19,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.16E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Eur J Med Chem 44: 990-1000 (2009)


Article DOI: 10.1016/j.ejmech.2008.07.002
BindingDB Entry DOI: 10.7270/Q2ZC8434
More data for this
Ligand-Target Pair