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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 2' and Ligand = 'BDBM91766'   
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 kinase 2


(Homo sapiens (Human))
BDBM91766
PNG
(CS202)
Show SMILES COc1cc(NC(=O)CSc2nncn2C)cc(OC)c1OC
Show InChI InChI=1S/C14H18N4O4S/c1-18-8-15-17-14(18)23-7-12(19)16-9-5-10(20-2)13(22-4)11(6-9)21-3/h5-6,8H,7H2,1-4H3,(H,16,19)
PDB
MMDB

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PubMed
n/an/an/a>1.00E+5n/an/an/a7.525



CSAR



Assay Description
OctetRed


CSAR 1: (2012)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM91766
PNG
(CS202)
Show SMILES COc1cc(NC(=O)CSc2nncn2C)cc(OC)c1OC
Show InChI InChI=1S/C14H18N4O4S/c1-18-8-15-17-14(18)23-7-12(19)16-9-5-10(20-2)13(22-4)11(6-9)21-3/h5-6,8H,7H2,1-4H3,(H,16,19)
PDB
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KEGG

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D3R
n/an/an/a>1.00E+5n/an/an/an/an/a



D3R



Assay Description
OctetRed_Method1


D3R 220: (2015)


BindingDB Entry DOI: 10.7270/Q21J98M7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM91766
PNG
(CS202)
Show SMILES COc1cc(NC(=O)CSc2nncn2C)cc(OC)c1OC
Show InChI InChI=1S/C14H18N4O4S/c1-18-8-15-17-14(18)23-7-12(19)16-9-5-10(20-2)13(22-4)11(6-9)21-3/h5-6,8H,7H2,1-4H3,(H,16,19)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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PC sid
UniChem

Similars

D3R
n/an/an/a>1.00E+5n/an/an/an/an/a



D3R



Assay Description
OctetRed_Method1


D3R 219: (2015)


BindingDB Entry DOI: 10.7270/Q25B01BH
More data for this
Ligand-Target Pair