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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Src' and Monomerid = 4492   
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))
BDBM4492
PNG
(4-[(2,4-Dichlorophenyl)amino]-6,7-dimethoxy-3-quin...)
Show SMILES COc1cc2ncc(C#N)c(Nc3ccc(Cl)cc3Cl)c2cc1OC
Show InChI InChI=1S/C18H13Cl2N3O2/c1-24-16-6-12-15(7-17(16)25-2)22-9-10(8-21)18(12)23-14-4-3-11(19)5-13(14)20/h3-7,9H,1-2H3,(H,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.30n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Src protein tryrosine kinase


Bioorg Med Chem Lett 13: 2977-80 (2003)


Article DOI: 10.1016/s0960-894x(03)00628-0
BindingDB Entry DOI: 10.7270/Q2KH0MQX
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM4492
PNG
(4-[(2,4-Dichlorophenyl)amino]-6,7-dimethoxy-3-quin...)
Show SMILES COc1cc2ncc(C#N)c(Nc3ccc(Cl)cc3Cl)c2cc1OC
Show InChI InChI=1S/C18H13Cl2N3O2/c1-24-16-6-12-15(7-17(16)25-2)22-9-10(8-21)18(12)23-14-4-3-11(19)5-13(14)20/h3-7,9H,1-2H3,(H,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 30n/an/an/an/a7.530



Wyeth-Ayerst Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


J Med Chem 44: 822-33 (2001)


Article DOI: 10.1021/jm000420z
BindingDB Entry DOI: 10.7270/Q2Z31WVP
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM4492
PNG
(4-[(2,4-Dichlorophenyl)amino]-6,7-dimethoxy-3-quin...)
Show SMILES COc1cc2ncc(C#N)c(Nc3ccc(Cl)cc3Cl)c2cc1OC
Show InChI InChI=1S/C18H13Cl2N3O2/c1-24-16-6-12-15(7-17(16)25-2)22-9-10(8-21)18(12)23-14-4-3-11(19)5-13(14)20/h3-7,9H,1-2H3,(H,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 30n/an/an/an/a7.530



Wyeth-Ayerst Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


J Med Chem 44: 3965-77 (2001)


Article DOI: 10.1021/jm0102250
BindingDB Entry DOI: 10.7270/Q2TD9VHP
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM4492
PNG
(4-[(2,4-Dichlorophenyl)amino]-6,7-dimethoxy-3-quin...)
Show SMILES COc1cc2ncc(C#N)c(Nc3ccc(Cl)cc3Cl)c2cc1OC
Show InChI InChI=1S/C18H13Cl2N3O2/c1-24-16-6-12-15(7-17(16)25-2)22-9-10(8-21)18(12)23-14-4-3-11(19)5-13(14)20/h3-7,9H,1-2H3,(H,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 38n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of Src protein tryrosine kinase


Bioorg Med Chem Lett 12: 423-5 (2002)


Article DOI: 10.1016/s0960-894x(01)00776-4
BindingDB Entry DOI: 10.7270/Q2WM1CQ7
More data for this
Ligand-Target Pair