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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Src' and Monomerid = 6493   
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))
BDBM6493
PNG
(3-quinolinecarbonitrile analog 2c | 4-Anilino-7-ph...)
Show SMILES COc1cc(Nc2c(cnc3cc(ccc23)-c2ccc(CN3CCN(C)CC3)cc2)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C29H27Cl2N5O/c1-35-9-11-36(12-10-35)18-19-3-5-20(6-4-19)21-7-8-23-26(13-21)33-17-22(16-32)29(23)34-27-15-28(37-2)25(31)14-24(27)30/h3-8,13-15,17H,9-12,18H2,1-2H3,(H,33,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.80n/an/an/an/a7.530



Wyeth 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...


Bioorg Med Chem Lett 12: 2989-92 (2002)


Article DOI: 10.1016/s0960-894x(02)00577-2
BindingDB Entry DOI: 10.7270/Q24B2ZHC
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6493
PNG
(3-quinolinecarbonitrile analog 2c | 4-Anilino-7-ph...)
Show SMILES COc1cc(Nc2c(cnc3cc(ccc23)-c2ccc(CN3CCN(C)CC3)cc2)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C29H27Cl2N5O/c1-35-9-11-36(12-10-35)18-19-3-5-20(6-4-19)21-7-8-23-26(13-21)33-17-22(16-32)29(23)34-27-15-28(37-2)25(31)14-24(27)30/h3-8,13-15,17H,9-12,18H2,1-2H3,(H,33,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5n/an/an/an/a7.537



Wyeth Research



Assay Description
Kinase assays were performed using the europium/APC detection format (LANCE, Perkin Elmer). HTRF is based on the proximity of europium cryptate (dono...


J Med Chem 49: 7868-76 (2006)


Article DOI: 10.1021/jm061031t
BindingDB Entry DOI: 10.7270/Q28K779J
More data for this
Ligand-Target Pair