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PubMed code 25619419

Compile data set for download or QSAR
Found 5 hits of Enzyme Inhibition Constant Data   
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))
BDBM150754
PNG
(11-O-acetyl-aloe-emodin | 3-[(acetyloxy)methyl]-1,...)
Show SMILES CC(=O)OCc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1
Show InChI InChI=1S/C17H12O6/c1-8(18)23-7-9-5-11-15(13(20)6-9)17(22)14-10(16(11)21)3-2-4-12(14)19/h2-6,19-20H,7H2,1H3
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MMDB

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Article
PubMed
n/an/an/a 1.78E+4n/an/an/a7.530



Université Pierre et Marie Curie



Assay Description
We incubated human recombinant CDK2/cyclin A with small molecules at the indicatedconcentrations in buffer A (Tris¿¿HCl (25 mm, pH 7.5), MgCl2 (10 mm...


Chembiochem 16: 432-9 (2015)


Article DOI: 10.1002/cbic.201402579
BindingDB Entry DOI: 10.7270/Q2T43RTF
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM150752
PNG
(4-hydrazino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d...)
Show SMILES NNc1ncnc2sc3CCCCc3c12
Show InChI InChI=1S/C10H12N4S/c11-14-9-8-6-3-1-2-4-7(6)15-10(8)13-5-12-9/h5H,1-4,11H2,(H,12,13,14)
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Article
PubMed
n/an/an/a 2.83E+4n/an/an/a7.530



Université Pierre et Marie Curie



Assay Description
We incubated human recombinant CDK2/cyclin A with small molecules at the indicatedconcentrations in buffer A (Tris¿¿HCl (25 mm, pH 7.5), MgCl2 (10 mm...


Chembiochem 16: 432-9 (2015)


Article DOI: 10.1002/cbic.201402579
BindingDB Entry DOI: 10.7270/Q2T43RTF
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM43654
PNG
(7,8-dihydro-6H-cyclopenta[4,5]thieno[1,2-c]pyrimid...)
Show SMILES NNc1ncnc2sc3CCCc3c12
Show InChI InChI=1S/C9H10N4S/c10-13-8-7-5-2-1-3-6(5)14-9(7)12-4-11-8/h4H,1-3,10H2,(H,11,12,13)
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Article
PubMed
n/an/an/a 2.87E+5n/an/an/a7.530



Université Pierre et Marie Curie



Assay Description
We incubated human recombinant CDK2/cyclin A with small molecules at the indicatedconcentrations in buffer A (Tris¿¿HCl (25 mm, pH 7.5), MgCl2 (10 mm...


Chembiochem 16: 432-9 (2015)


Article DOI: 10.1002/cbic.201402579
BindingDB Entry DOI: 10.7270/Q2T43RTF
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM32021
PNG
(4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen...)
Show SMILES OC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1
Show InChI InChI=1S/C15H8O6/c16-9-3-1-2-7-11(9)14(19)12-8(13(7)18)4-6(15(20)21)5-10(12)17/h1-5,16-17H,(H,20,21)
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Article
PubMed
n/an/an/a 9.60E+3n/an/an/a7.530



Université Pierre et Marie Curie



Assay Description
We incubated human recombinant CDK2/cyclin A with small molecules at the indicatedconcentrations in buffer A (Tris¿¿HCl (25 mm, pH 7.5), MgCl2 (10 mm...


Chembiochem 16: 432-9 (2015)


Article DOI: 10.1002/cbic.201402579
BindingDB Entry DOI: 10.7270/Q2T43RTF
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM150753
PNG
(4-hydrazino-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]t...)
Show SMILES NNc1ncnc2sc3CCCCCc3c12
Show InChI InChI=1S/C11H14N4S/c12-15-10-9-7-4-2-1-3-5-8(7)16-11(9)14-6-13-10/h6H,1-5,12H2,(H,13,14,15)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
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UniChem

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Article
PubMed
n/an/an/a 3.25E+4n/an/an/a7.530



Université Pierre et Marie Curie



Assay Description
We incubated human recombinant CDK2/cyclin A with small molecules at the indicatedconcentrations in buffer A (Tris¿¿HCl (25 mm, pH 7.5), MgCl2 (10 mm...


Chembiochem 16: 432-9 (2015)


Article DOI: 10.1002/cbic.201402579
BindingDB Entry DOI: 10.7270/Q2T43RTF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%