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Compile Data Set for Download or QSAR

Found 9 hits of ic50 for UniProtKB: P22674   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin-O


(Homo sapiens)
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



Gachon University

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/cyclin-O using histone H1 as substrate by [gamma-33P]-ATP assay


Eur J Med Chem 163: 453-480 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.037
BindingDB Entry DOI: 10.7270/Q2TQ650N
More data for this
Ligand-Target Pair
Cyclin-O


(Homo sapiens)
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



Gachon University

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/cyclin-O using histone H1 as substrate by [gamma-33P]-ATP assay


Eur J Med Chem 163: 453-480 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.037
BindingDB Entry DOI: 10.7270/Q2TQ650N
More data for this
Ligand-Target Pair
Cyclin-O


(Homo sapiens)
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CDK2/cyclin-O using histone H1 as substrate by [gamma-33P]-ATP assay


Citation and Details

Article DOI: 10.1016/j.bmc.2018.02.022
BindingDB Entry DOI: 10.7270/Q2DJ5KB8
More data for this
Ligand-Target Pair
Cyclin-O


(Homo sapiens)
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK2/Cyclin-O (unknown origin) using histone H1 as substrate preincubated for 20 mins followed by 33P-ATP addition and measured after 2...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113232
BindingDB Entry DOI: 10.7270/Q22J6GMW
More data for this
Ligand-Target Pair
Cyclin-O


(Homo sapiens)
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/cyclin-O using histone H1 as substrate by [gamma-33P]-ATP assay


Eur J Med Chem 161: 456-467 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.052
BindingDB Entry DOI: 10.7270/Q2W380MT
More data for this
Ligand-Target Pair
Cyclin-O


(Homo sapiens)
BDBM50563174
PNG
(CHEMBL1708376)
Show SMILES Cc1nn(-c2nccs2)c2C(Br)C(C)(C)CC(=O)c12
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n/an/a 33n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK2/Cyclin-O (unknown origin) using histone H1 as substrate preincubated for 20 mins followed by 33P-ATP addition and measured after 2...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113232
BindingDB Entry DOI: 10.7270/Q22J6GMW
More data for this
Ligand-Target Pair
Cyclin-O


(Homo sapiens)
BDBM50563177
PNG
(CHEMBL4763182)
Show SMILES Cc1nn(c2C(Br)C(C)(C)CC(=O)c12)-c1ccncn1
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n/an/a 42n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK2/Cyclin-O (unknown origin) using histone H1 as substrate preincubated for 20 mins followed by 33P-ATP addition and measured after 2...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113232
BindingDB Entry DOI: 10.7270/Q22J6GMW
More data for this
Ligand-Target Pair
Cyclin-O


(Homo sapiens)
BDBM50563140
PNG
(CHEMBL1906448)
Show SMILES Cc1nn(c2C(Br)C(C)(C)CC(=O)c12)-c1ccccn1
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n/an/a 108n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK2/Cyclin-O (unknown origin) using histone H1 as substrate preincubated for 20 mins followed by 33P-ATP addition and measured after 2...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113232
BindingDB Entry DOI: 10.7270/Q22J6GMW
More data for this
Ligand-Target Pair
Cyclin-O/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50263013
PNG
(CHEMBL4079206)
Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1c(Cl)cccc1Cl)cc2=O |r|
Show InChI InChI=1S/C23H21Cl2NO5/c1-26-8-7-14(20(30)11-26)21-18(28)10-19(29)22-17(27)9-12(31-23(21)22)5-6-13-15(24)3-2-4-16(13)25/h2-6,9-10,14,20,28-30H,7-8,11H2,1H3/b6-5+/t14-,20+/m0/s1
PDB

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n/an/a 138n/an/an/an/an/an/a



Medicinal Chemistry Division, CSIR-Indian Institute of Integrative Medicine , Canal Road, Jammu-180001, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin O (unknown origin) after 30 mins in presence of [33P]-gamma-ATP by filter binding assay


J Med Chem 61: 1664-1687 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01765
BindingDB Entry DOI: 10.7270/Q2DV1NC4
More data for this
Ligand-Target Pair