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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cyclin-dependent protein kinase 2 variant (CDK2 C118L/A144C)' and Ligand = 'BDBM154576'   
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
Cyclin-dependent protein kinase 2 variant (CDK2 C118L/A144C)


(Homo sapiens (Human))
BDBM154576
PNG
(K03861 (1))
Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ccnc(N)n4)cc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C24H26F3N7O2/c1-33-10-12-34(13-11-33)15-16-2-3-18(14-20(16)24(25,26)27)31-23(35)30-17-4-6-19(7-5-17)36-21-8-9-29-22(28)32-21/h2-9,14H,10-13,15H2,1H3,(H2,28,29,32)(H2,30,31,35)
PDB

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PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 800n/an/an/an/a7.5n/a



University of Oxford



Assay Description
For IC50 measurements, a 384-well microtiter plate contained 8-point serial dilutions of inhibitors and 16-point serial dilutions of staurosporine as...


ACS Chem Biol 10: 2116-25 (2015)


Article DOI: 10.1021/acschembio.5b00398
BindingDB Entry DOI: 10.7270/Q2VH5MKH
More data for this
Ligand-Target Pair
Cyclin-dependent protein kinase 2 variant (CDK2 C118L/A144C)


(Homo sapiens (Human))
BDBM154576
PNG
(K03861 (1))
Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ccnc(N)n4)cc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C24H26F3N7O2/c1-33-10-12-34(13-11-33)15-16-2-3-18(14-20(16)24(25,26)27)31-23(35)30-17-4-6-19(7-5-17)36-21-8-9-29-22(28)32-21/h2-9,14H,10-13,15H2,1H3,(H2,28,29,32)(H2,30,31,35)
PDB

B.MOAD
GoogleScholar
AffyNet 
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PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/an/a 9.70n/an/an/a7.5834.45



University of Oxford



Assay Description
All ITC experiments were performed using a VP-ITC (Microcal, Northampton, MA) instrument at 10 or 15 C in 50 mM HEPES, pH 7.5, 300 mM NaCl, and 1 mM...


ACS Chem Biol 10: 2116-25 (2015)


Article DOI: 10.1021/acschembio.5b00398
BindingDB Entry DOI: 10.7270/Q2VH5MKH
More data for this
Ligand-Target Pair