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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 = 50201226   
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))
BDBM50201226
PNG
(4-(2,4-dichloro-5-methoxyphenylamino)-6-methoxy-7-...)
Show SMILES COc1cc(Nc2c(cnc3cc(C#CCCN4CCNCC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C26H25Cl2N5O2/c1-34-24-12-19-22(11-17(24)5-3-4-8-33-9-6-30-7-10-33)31-16-18(15-29)26(19)32-23-14-25(35-2)21(28)13-20(23)27/h11-14,16,30H,4,6-10H2,1-2H3,(H,31,32)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 5.40n/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)
BDBM50201226
PNG
(4-(2,4-dichloro-5-methoxyphenylamino)-6-methoxy-7-...)
Show SMILES COc1cc(Nc2c(cnc3cc(C#CCCN4CCNCC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C26H25Cl2N5O2/c1-34-24-12-19-22(11-17(24)5-3-4-8-33-9-6-30-7-10-33)31-16-18(15-29)26(19)32-23-14-25(35-2)21(28)13-20(23)27/h11-14,16,30H,4,6-10H2,1-2H3,(H,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 520n/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