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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for entry = 50031095   
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))
BDBM50197834
PNG
(2,9-dihydroxy-1-methoxydibenzo[cd,f]indol-4(5H)-on...)
Show SMILES COc1c(O)cc2C(=O)Nc3cc4ccc(O)cc4c1c23
Show InChI InChI=1S/C16H11NO4/c1-21-15-12(19)6-10-13-11(17-16(10)20)4-7-2-3-8(18)5-9(7)14(13)15/h2-6,18-19H,1H3,(H,17,20)
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n/an/a 140n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1344-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.018
BindingDB Entry DOI: 10.7270/Q2BZ664X
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50197834
PNG
(2,9-dihydroxy-1-methoxydibenzo[cd,f]indol-4(5H)-on...)
Show SMILES COc1c(O)cc2C(=O)Nc3cc4ccc(O)cc4c1c23
Show InChI InChI=1S/C16H11NO4/c1-21-15-12(19)6-10-13-11(17-16(10)20)4-7-2-3-8(18)5-9(7)14(13)15/h2-6,18-19H,1H3,(H,17,20)
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n/an/a 214n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDC2


Bioorg Med Chem Lett 20: 1344-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.018
BindingDB Entry DOI: 10.7270/Q2BZ664X
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50197834
PNG
(2,9-dihydroxy-1-methoxydibenzo[cd,f]indol-4(5H)-on...)
Show SMILES COc1c(O)cc2C(=O)Nc3cc4ccc(O)cc4c1c23
Show InChI InChI=1S/C16H11NO4/c1-21-15-12(19)6-10-13-11(17-16(10)20)4-7-2-3-8(18)5-9(7)14(13)15/h2-6,18-19H,1H3,(H,17,20)
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n/an/a 1.42E+3n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK4


Bioorg Med Chem Lett 20: 1344-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.018
BindingDB Entry DOI: 10.7270/Q2BZ664X
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50197834
PNG
(2,9-dihydroxy-1-methoxydibenzo[cd,f]indol-4(5H)-on...)
Show SMILES COc1c(O)cc2C(=O)Nc3cc4ccc(O)cc4c1c23
Show InChI InChI=1S/C16H11NO4/c1-21-15-12(19)6-10-13-11(17-16(10)20)4-7-2-3-8(18)5-9(7)14(13)15/h2-6,18-19H,1H3,(H,17,20)
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n/an/a 2.14E+3n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Aurora 2 kinase


Bioorg Med Chem Lett 20: 1344-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.018
BindingDB Entry DOI: 10.7270/Q2BZ664X
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50306911
PNG
(8-((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-hydroxymeth...)
Show SMILES OC[C@H]1O[C@@H](Oc2cccc3c2cc2NC(=O)c4cc5OCOc5c3c24)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C22H19NO9/c24-6-14-17(25)18(26)19(27)22(32-14)31-12-3-1-2-8-9(12)4-11-15-10(21(28)23-11)5-13-20(16(8)15)30-7-29-13/h1-5,14,17-19,22,24-27H,6-7H2,(H,23,28)/t14-,17-,18+,19-,22-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1344-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.018
BindingDB Entry DOI: 10.7270/Q2BZ664X
More data for this
Ligand-Target Pair