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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 = 'BDBM6114'   
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))
BDBM6114
PNG
(3-quinolinecarbonitrile analog 2b | 4-[(2,4-dichlo...)
Show SMILES COc1cc(Nc2c(cnc3cc(ccc23)-c2ccc(CN3CCN(C)CC3)s2)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C27H25Cl2N5OS/c1-33-7-9-34(10-8-33)16-19-4-6-26(36-19)17-3-5-20-23(11-17)31-15-18(14-30)27(20)32-24-13-25(35-2)22(29)12-21(24)28/h3-6,11-13,15H,7-10,16H2,1-2H3,(H,31,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.30n/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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6114
PNG
(3-quinolinecarbonitrile analog 2b | 4-[(2,4-dichlo...)
Show SMILES COc1cc(Nc2c(cnc3cc(ccc23)-c2ccc(CN3CCN(C)CC3)s2)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C27H25Cl2N5OS/c1-33-7-9-34(10-8-33)16-19-4-6-26(36-19)17-3-5-20-23(11-17)31-15-18(14-30)27(20)32-24-13-25(35-2)22(29)12-21(24)28/h3-6,11-13,15H,7-10,16H2,1-2H3,(H,31,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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: 2011-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00302-5
BindingDB Entry DOI: 10.7270/Q2PC30KC
More data for this
Ligand-Target Pair