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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 = 'BDBM91800'   
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))
BDBM91800
PNG
(CS59)
Show SMILES COC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(NC(C)=O)cc3)n2C)cc1
Show InChI InChI=1S/C21H21N5O4S/c1-13(27)22-16-8-4-14(5-9-16)19-24-25-21(26(19)2)31-12-18(28)23-17-10-6-15(7-11-17)20(29)30-3/h4-11H,12H2,1-3H3,(H,22,27)(H,23,28)
PDB
MMDB

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PC sid
UniChem
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))
BDBM91800
PNG
(CS59)
Show SMILES COC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(NC(C)=O)cc3)n2C)cc1
Show InChI InChI=1S/C21H21N5O4S/c1-13(27)22-16-8-4-14(5-9-16)19-24-25-21(26(19)2)31-12-18(28)23-17-10-6-15(7-11-17)20(29)30-3/h4-11H,12H2,1-3H3,(H,22,27)(H,23,28)
PDB
MMDB

NCI pathway
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KEGG

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antibodypedia
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PC cid
PC sid
UniChem
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))
BDBM91800
PNG
(CS59)
Show SMILES COC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(NC(C)=O)cc3)n2C)cc1
Show InChI InChI=1S/C21H21N5O4S/c1-13(27)22-16-8-4-14(5-9-16)19-24-25-21(26(19)2)31-12-18(28)23-17-10-6-15(7-11-17)20(29)30-3/h4-11H,12H2,1-3H3,(H,22,27)(H,23,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
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