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PubMed code 28651979

Compile data set for download or QSAR
Found 6 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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50021574
PNG
(BMS-907351 | CABOZANTINIB | CHEBI:72317 | Cabomety...)
Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3)c2cc1OC
Show InChI InChI=1S/C28H24FN3O5/c1-35-24-15-21-22(16-25(24)36-2)30-14-11-23(21)37-20-9-7-19(8-10-20)32-27(34)28(12-13-28)26(33)31-18-5-3-17(29)4-6-18/h3-11,14-16H,12-13H2,1-2H3,(H,31,33)(H,32,34)
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Article
PubMed
n/an/a 0.0350n/an/an/an/an/an/a



School of Medicine, Nankai University, 94 Weijin Road, Tianjin 300071, China; Tianjin International S& T Cooperation Base, 94 Weijin Road, Tianjin 300071, China.

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 phosphorylation (unknown origin)


Bioorg Med Chem Lett 27: 3231-3237 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.041
BindingDB Entry DOI: 10.7270/Q2JS9SW3
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50268674
PNG
(CHEMBL4078060)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3)nc2n1C1CCCC1
Show InChI InChI=1S/C31H32FN7O3/c1-38(2)27(40)25-17-19-18-33-30(37-26(19)39(25)24-5-3-4-6-24)36-23-13-11-22(12-14-23)35-29(42)31(15-16-31)28(41)34-21-9-7-20(32)8-10-21/h7-14,17-18,24H,3-6,15-16H2,1-2H3,(H,34,41)(H,35,42)(H,33,36,37)
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PubMed
n/an/a 12n/an/an/an/an/an/a



School of Medicine, Nankai University, 94 Weijin Road, Tianjin 300071, China; Tianjin International S& T Cooperation Base, 94 Weijin Road, Tianjin 300071, China.

Curated by ChEMBL


Assay Description
Inhibition of human CDK9/CyclinT1 by enzymatic radiometric assay


Bioorg Med Chem Lett 27: 3231-3237 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.041
BindingDB Entry DOI: 10.7270/Q2JS9SW3
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))
BDBM148264
PNG
(7-cyclopentyl-N,N-dimethyl-2-((5-(piperazin-1-yl)p...)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n1C1CCCC1
Show InChI InChI=1S/C23H30N8O/c1-29(2)22(32)19-13-16-14-26-23(28-21(16)31(19)17-5-3-4-6-17)27-20-8-7-18(15-25-20)30-11-9-24-10-12-30/h7-8,13-15,17,24H,3-6,9-12H2,1-2H3,(H,25,26,27,28)
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PubMed
n/an/a 13n/an/an/an/an/an/a



School of Medicine, Nankai University, 94 Weijin Road, Tianjin 300071, China; Tianjin International S& T Cooperation Base, 94 Weijin Road, Tianjin 300071, China.

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/CyclinD3 by enzymatic radiometric assay


Bioorg Med Chem Lett 27: 3231-3237 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.041
BindingDB Entry DOI: 10.7270/Q2JS9SW3
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))
BDBM50268674
PNG
(CHEMBL4078060)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3)nc2n1C1CCCC1
Show InChI InChI=1S/C31H32FN7O3/c1-38(2)27(40)25-17-19-18-33-30(37-26(19)39(25)24-5-3-4-6-24)36-23-13-11-22(12-14-23)35-29(42)31(15-16-31)28(41)34-21-9-7-20(32)8-10-21/h7-14,17-18,24H,3-6,15-16H2,1-2H3,(H,34,41)(H,35,42)(H,33,36,37)
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Article
PubMed
n/an/a 142n/an/an/an/an/an/a



School of Medicine, Nankai University, 94 Weijin Road, Tianjin 300071, China; Tianjin International S& T Cooperation Base, 94 Weijin Road, Tianjin 300071, China.

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/CyclinD3 by enzymatic radiometric assay


Bioorg Med Chem Lett 27: 3231-3237 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.041
BindingDB Entry DOI: 10.7270/Q2JS9SW3
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM148264
PNG
(7-cyclopentyl-N,N-dimethyl-2-((5-(piperazin-1-yl)p...)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n1C1CCCC1
Show InChI InChI=1S/C23H30N8O/c1-29(2)22(32)19-13-16-14-26-23(28-21(16)31(19)17-5-3-4-6-17)27-20-8-7-18(15-25-20)30-11-9-24-10-12-30/h7-8,13-15,17,24H,3-6,9-12H2,1-2H3,(H,25,26,27,28)
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Article
PubMed
n/an/a 197n/an/an/an/an/an/a



School of Medicine, Nankai University, 94 Weijin Road, Tianjin 300071, China; Tianjin International S& T Cooperation Base, 94 Weijin Road, Tianjin 300071, China.

Curated by ChEMBL


Assay Description
Inhibition of human CDK9/CyclinT1 by enzymatic radiometric assay


Bioorg Med Chem Lett 27: 3231-3237 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.041
BindingDB Entry DOI: 10.7270/Q2JS9SW3
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50268674
PNG
(CHEMBL4078060)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3)nc2n1C1CCCC1
Show InChI InChI=1S/C31H32FN7O3/c1-38(2)27(40)25-17-19-18-33-30(37-26(19)39(25)24-5-3-4-6-24)36-23-13-11-22(12-14-23)35-29(42)31(15-16-31)28(41)34-21-9-7-20(32)8-10-21/h7-14,17-18,24H,3-6,15-16H2,1-2H3,(H,34,41)(H,35,42)(H,33,36,37)
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



School of Medicine, Nankai University, 94 Weijin Road, Tianjin 300071, China; Tianjin International S& T Cooperation Base, 94 Weijin Road, Tianjin 300071, China.

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2 by enzymatic radiometric assay


Bioorg Med Chem Lett 27: 3231-3237 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.041
BindingDB Entry DOI: 10.7270/Q2JS9SW3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%