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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 = 50201231   
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))
BDBM50201231
PNG
(4-(2,4-dichloro-5-methoxyphenylamino)-6-(4-(4-meth...)
Show SMILES COc1cc(Nc2c(cnc3ccc(cc23)C#CCCN2CCN(C)CC2)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C26H25Cl2N5O/c1-32-9-11-33(12-10-32)8-4-3-5-18-6-7-23-20(13-18)26(19(16-29)17-30-23)31-24-15-25(34-2)22(28)14-21(24)27/h6-7,13-15,17H,4,8-12H2,1-2H3,(H,30,31)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 230n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Src activity


Bioorg Med Chem Lett 17: 1358-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.077
BindingDB Entry DOI: 10.7270/Q2SJ1K7T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SRC


(Rattus norvegicus)
BDBM50201231
PNG
(4-(2,4-dichloro-5-methoxyphenylamino)-6-(4-(4-meth...)
Show SMILES COc1cc(Nc2c(cnc3ccc(cc23)C#CCCN2CCN(C)CC2)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C26H25Cl2N5O/c1-32-9-11-33(12-10-32)8-4-3-5-18-6-7-23-20(13-18)26(19(16-29)17-30-23)31-24-15-25(34-2)22(28)14-21(24)27/h6-7,13-15,17H,4,8-12H2,1-2H3,(H,30,31)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.90E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Src in rat fibroblasts


Bioorg Med Chem Lett 17: 1358-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.077
BindingDB Entry DOI: 10.7270/Q2SJ1K7T
More data for this
Ligand-Target Pair