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PubMed code 31382120

Compile data set for download or QSAR
Found 4 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 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))
BDBM50528604
PNG
(CHEMBL4445335)
Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc(NC(=O)C3(CC3)C(=O)Nc3ccc(C)cc3)cc2)ncc1F
Show InChI InChI=1S/C33H31F2N7O2/c1-18(2)42-20(4)37-29-25(34)15-21(16-27(29)42)28-26(35)17-36-32(41-28)40-24-11-9-23(10-12-24)39-31(44)33(13-14-33)30(43)38-22-7-5-19(3)6-8-22/h5-12,15-18H,13-14H2,1-4H3,(H,38,43)(H,39,44)(H,36,40,41)
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Article
PubMed
n/an/a 46n/an/an/an/an/an/a



Nankai University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human CDK4/Cyclin D3 using Rb-fragmen as substrate incubated for 40 mins by [gamma-33P]-ATP based radiometric a...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.07.044
BindingDB Entry DOI: 10.7270/Q2S46WF0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50528604
PNG
(CHEMBL4445335)
Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc(NC(=O)C3(CC3)C(=O)Nc3ccc(C)cc3)cc2)ncc1F
Show InChI InChI=1S/C33H31F2N7O2/c1-18(2)42-20(4)37-29-25(34)15-21(16-27(29)42)28-26(35)17-36-32(41-28)40-24-11-9-23(10-12-24)39-31(44)33(13-14-33)30(43)38-22-7-5-19(3)6-8-22/h5-12,15-18H,13-14H2,1-4H3,(H,38,43)(H,39,44)(H,36,40,41)
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n/an/a 46n/an/an/an/an/an/a



Nankai University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human VEGFR2 (790 to end residues) using myelin ba as substrate incubated for 40 mins by [gamma-33P]-ATP based radiometric ...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.07.044
BindingDB Entry DOI: 10.7270/Q2S46WF0
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50528604
PNG
(CHEMBL4445335)
Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc(NC(=O)C3(CC3)C(=O)Nc3ccc(C)cc3)cc2)ncc1F
Show InChI InChI=1S/C33H31F2N7O2/c1-18(2)42-20(4)37-29-25(34)15-21(16-27(29)42)28-26(35)17-36-32(41-28)40-24-11-9-23(10-12-24)39-31(44)33(13-14-33)30(43)38-22-7-5-19(3)6-8-22/h5-12,15-18H,13-14H2,1-4H3,(H,38,43)(H,39,44)(H,36,40,41)
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PubMed
n/an/a 230n/an/an/an/an/an/a



Nankai University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length CDK2/CyclinA using as histone H1 substrate incubated for 40 mins in presence of [gamma-33P]-ATP by scinti...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.07.044
BindingDB Entry DOI: 10.7270/Q2S46WF0
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))
BDBM50528604
PNG
(CHEMBL4445335)
Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc(NC(=O)C3(CC3)C(=O)Nc3ccc(C)cc3)cc2)ncc1F
Show InChI InChI=1S/C33H31F2N7O2/c1-18(2)42-20(4)37-29-25(34)15-21(16-27(29)42)28-26(35)17-36-32(41-28)40-24-11-9-23(10-12-24)39-31(44)33(13-14-33)30(43)38-22-7-5-19(3)6-8-22/h5-12,15-18H,13-14H2,1-4H3,(H,38,43)(H,39,44)(H,36,40,41)
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UniProtKB/SwissProt

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antibodypedia
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PC sid
UniChem
Article
PubMed
n/an/a 247n/an/an/an/an/an/a



Nankai University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length CDK1/CyclinB using histone H1 as substrate incubated for 40 mins in presence of [gamma-33P]-ATP by scinti...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.07.044
BindingDB Entry DOI: 10.7270/Q2S46WF0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%