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PubMed code 22225635

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 9 (CDK9)


(Homo sapiens (human))
BDBM50363399
PNG
(CHEMBL1946633)
Show SMILES Cc1nc2cc(Cl)c(Cl)cc2n1C1CCCC1
Show InChI InChI=1S/C13H14Cl2N2/c1-8-16-12-6-10(14)11(15)7-13(12)17(8)9-4-2-3-5-9/h6-7,9H,2-5H2,1H3
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Article
PubMed
1.51E+3n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of CDK9/CyclinT1


Bioorg Med Chem Lett 22: 1317-21 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.088
BindingDB Entry DOI: 10.7270/Q2NZ883V
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (human))
BDBM50363400
PNG
(CHEMBL1946636)
Show SMILES CC(C)c1nc2cc(Cl)c(Cl)cc2n1C1CCCC1
Show InChI InChI=1S/C15H18Cl2N2/c1-9(2)15-18-13-7-11(16)12(17)8-14(13)19(15)10-5-3-4-6-10/h7-10H,3-6H2,1-2H3
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Article
PubMed
3.33E+3n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of CDK9/CyclinT1


Bioorg Med Chem Lett 22: 1317-21 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.088
BindingDB Entry DOI: 10.7270/Q2NZ883V
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (human))
BDBM50363402
PNG
(CHEMBL1946638)
Show SMILES CS(=O)c1nc2cc(Cl)c(Cl)cc2n1C1CCCC1
Show InChI InChI=1S/C13H14Cl2N2OS/c1-19(18)13-16-11-6-9(14)10(15)7-12(11)17(13)8-4-2-3-5-8/h6-8H,2-5H2,1H3
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Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of CDK9/CyclinT1


Bioorg Med Chem Lett 22: 1317-21 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.088
BindingDB Entry DOI: 10.7270/Q2NZ883V
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (human))
BDBM50363401
PNG
(CHEMBL1946637)
Show SMILES CSc1nc2cc(Cl)c(Cl)cc2n1C1CCCC1
Show InChI InChI=1S/C13H14Cl2N2S/c1-18-13-16-11-6-9(14)10(15)7-12(11)17(13)8-4-2-3-5-8/h6-8H,2-5H2,1H3
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Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of CDK9/CyclinT1


Bioorg Med Chem Lett 22: 1317-21 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.088
BindingDB Entry DOI: 10.7270/Q2NZ883V
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (human))
BDBM50363403
PNG
(CHEMBL1946639)
Show SMILES CS(=O)(=O)c1nc2cc(Cl)c(Cl)cc2n1C1CCCC1
Show InChI InChI=1S/C13H14Cl2N2O2S/c1-20(18,19)13-16-11-6-9(14)10(15)7-12(11)17(13)8-4-2-3-5-8/h6-8H,2-5H2,1H3
PDB
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Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of CDK9/CyclinT1


Bioorg Med Chem Lett 22: 1317-21 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.088
BindingDB Entry DOI: 10.7270/Q2NZ883V
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%