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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM50317229'   
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))
BDBM50317229
PNG
((E)-4-(2,4-dichloro-5-methoxyphenylamino)-7-(2-(5-...)
Show SMILES COc1cc(Nc2c(cnc3cc(\C=C\c4ccc(CN(C)C)cn4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C28H25Cl2N5O2/c1-35(2)16-17-5-7-20(32-14-17)8-6-18-9-24-21(10-26(18)36-3)28(19(13-31)15-33-24)34-25-12-27(37-4)23(30)11-22(25)29/h5-12,14-15H,16H2,1-4H3,(H,33,34)/b8-6+
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.20n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Src after 70 mins by FRET assay


Bioorg Med Chem Lett 20: 2924-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.025
BindingDB Entry DOI: 10.7270/Q2J38SR1
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50317229
PNG
((E)-4-(2,4-dichloro-5-methoxyphenylamino)-7-(2-(5-...)
Show SMILES COc1cc(Nc2c(cnc3cc(\C=C\c4ccc(CN(C)C)cn4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C28H25Cl2N5O2/c1-35(2)16-17-5-7-20(32-14-17)8-6-18-9-24-21(10-26(18)36-3)28(19(13-31)15-33-24)34-25-12-27(37-4)23(30)11-22(25)29/h5-12,14-15H,16H2,1-4H3,(H,33,34)/b8-6+
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 58n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Src-mediated cell proliferation in rat Rat-2 fibroblasts after 4 days by MTS assay


Bioorg Med Chem Lett 20: 2924-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.025
BindingDB Entry DOI: 10.7270/Q2J38SR1
More data for this
Ligand-Target Pair