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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 = 50187981   
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))
BDBM50187981
PNG
(4-(2,4-dichloro-5-methoxyphenylamino)-7-(2-(6-((di...)
Show SMILES COc1cc(Nc2c(cnc3cc(C#Cc4cccc(CN(C)C)n4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C28H23Cl2N5O2/c1-35(2)16-20-7-5-6-19(33-20)9-8-17-10-24-21(11-26(17)36-3)28(18(14-31)15-32-24)34-25-13-27(37-4)23(30)12-22(25)29/h5-7,10-13,15H,16H2,1-4H3,(H,32,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Src


Bioorg Med Chem Lett 16: 3993-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.015
BindingDB Entry DOI: 10.7270/Q2125S8M
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50187981
PNG
(4-(2,4-dichloro-5-methoxyphenylamino)-7-(2-(6-((di...)
Show SMILES COc1cc(Nc2c(cnc3cc(C#Cc4cccc(CN(C)C)n4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C28H23Cl2N5O2/c1-35(2)16-20-7-5-6-19(33-20)9-8-17-10-24-21(11-26(17)36-3)28(18(14-31)15-32-24)34-25-13-27(37-4)23(30)12-22(25)29/h5-7,10-13,15H,16H2,1-4H3,(H,32,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Src dependent proliferation


Bioorg Med Chem Lett 16: 3993-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.015
BindingDB Entry DOI: 10.7270/Q2125S8M
More data for this
Ligand-Target Pair