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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 = 'BDBM50317231'   
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))
BDBM50317231
PNG
((E)-4-(2,4-dichloro-5-methoxyphenylamino)-7-(4-((d...)
Show SMILES COc1cc(Nc2c(cnc3cc(\C=C\c4ccc(CN(C)C)cc4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C29H26Cl2N4O2/c1-35(2)17-19-7-5-18(6-8-19)9-10-20-11-25-22(12-27(20)36-3)29(21(15-32)16-33-25)34-26-14-28(37-4)24(31)13-23(26)30/h5-14,16H,17H2,1-4H3,(H,33,34)/b10-9+
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.40n/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))
BDBM50317231
PNG
((E)-4-(2,4-dichloro-5-methoxyphenylamino)-7-(4-((d...)
Show SMILES COc1cc(Nc2c(cnc3cc(\C=C\c4ccc(CN(C)C)cc4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C29H26Cl2N4O2/c1-35(2)17-19-7-5-18(6-8-19)9-10-20-11-25-22(12-27(20)36-3)29(21(15-32)16-33-25)34-26-14-28(37-4)24(31)13-23(26)30/h5-14,16H,17H2,1-4H3,(H,33,34)/b10-9+
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 40n/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