Found 28 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50293176
((trans)-4-(5-((5-tert-butyloxazol-2-yl)methylthio)...)Show SMILES CC(C)(C)c1cnc(CSc2cnc(N[C@H]3CC[C@H](O)CC3)s2)o1 |r,wU:18.18,wD:15.14,(13.85,-15.9,;15.35,-16.31,;15.79,-14.83,;14.91,-17.79,;16.81,-16.79,;17.29,-18.25,;18.83,-18.25,;19.31,-16.79,;20.77,-16.31,;21.92,-17.34,;23.39,-16.87,;24.63,-17.78,;25.88,-16.87,;25.4,-15.41,;26.31,-14.16,;27.84,-14.16,;28.61,-15.49,;30.14,-15.48,;30.91,-14.15,;32.45,-14.15,;30.14,-12.82,;28.6,-12.82,;23.86,-15.41,;18.06,-15.88,)| Show InChI InChI=1S/C17H25N3O2S2/c1-17(2,3)13-8-18-14(22-13)10-23-15-9-19-16(24-15)20-11-4-6-12(21)7-5-11/h8-9,11-12,21H,4-7,10H2,1-3H3,(H,19,20)/t11-,12- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/cyclin A by IMAP florescence polarization assay |
Bioorg Med Chem Lett 18: 5763-5 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.073
BindingDB Entry DOI: 10.7270/Q28P60H0 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50293179
(5-((5-tert-butyloxazol-2-yl)methylthio)-N-cyclohex...)Show InChI InChI=1S/C17H25N3OS2/c1-17(2,3)13-9-18-14(21-13)11-22-15-10-19-16(23-15)20-12-7-5-4-6-8-12/h9-10,12H,4-8,11H2,1-3H3,(H,19,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/cyclin A by IMAP florescence polarization assay |
Bioorg Med Chem Lett 18: 5763-5 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.073
BindingDB Entry DOI: 10.7270/Q28P60H0 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50293174
((trans)-N1-(5-((5-tert-butyloxazol-2-yl)methylthio...)Show SMILES CC(C)(C)c1cnc(CSc2cnc(N[C@H]3CC[C@H](N)CC3)s2)o1 |r,wU:18.18,wD:15.14,(8.72,-8.28,;10.22,-8.69,;10.66,-7.21,;9.78,-10.17,;11.68,-9.16,;12.15,-10.63,;13.7,-10.63,;14.18,-9.16,;15.64,-8.69,;16.79,-9.72,;18.25,-9.25,;19.5,-10.16,;20.74,-9.25,;20.27,-7.78,;21.18,-6.54,;22.71,-6.53,;23.48,-7.86,;25.01,-7.86,;25.78,-6.53,;27.32,-6.53,;25.01,-5.2,;23.47,-5.2,;18.73,-7.78,;12.93,-8.25,)| Show InChI InChI=1S/C17H26N4OS2/c1-17(2,3)13-8-19-14(22-13)10-23-15-9-20-16(24-15)21-12-6-4-11(18)5-7-12/h8-9,11-12H,4-7,10,18H2,1-3H3,(H,20,21)/t11-,12- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/cyclin A by IMAP florescence polarization assay |
Bioorg Med Chem Lett 18: 5763-5 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.073
BindingDB Entry DOI: 10.7270/Q28P60H0 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50293178
(3-(5-((5-tert-butyloxazol-2-yl)methylthio)thiazol-...)Show InChI InChI=1S/C17H25N3O2S2/c1-17(2,3)13-8-18-14(22-13)10-23-15-9-19-16(24-15)20-11-5-4-6-12(21)7-11/h8-9,11-12,21H,4-7,10H2,1-3H3,(H,19,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/cyclin A by IMAP florescence polarization assay |
Bioorg Med Chem Lett 18: 5763-5 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.073
BindingDB Entry DOI: 10.7270/Q28P60H0 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM5931
(BMS-387072 | CHEMBL296468 | N-(5-{[(5-tert-butyl-1...)Show InChI InChI=1S/C17H24N4O2S2/c1-17(2,3)12-8-19-13(23-12)10-24-14-9-20-16(25-14)21-15(22)11-4-6-18-7-5-11/h8-9,11,18H,4-7,10H2,1-3H3,(H,20,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
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| Article
PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/cyclin A by IMAP florescence polarization assay |
Bioorg Med Chem Lett 18: 5763-5 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.073
BindingDB Entry DOI: 10.7270/Q28P60H0 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM5931
(BMS-387072 | CHEMBL296468 | N-(5-{[(5-tert-butyl-1...)Show InChI InChI=1S/C17H24N4O2S2/c1-17(2,3)12-8-19-13(23-12)10-24-14-9-20-16(25-14)21-15(22)11-4-6-18-7-5-11/h8-9,11,18H,4-7,10H2,1-3H3,(H,20,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
MCE
PC cid
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PDB
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| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CDK9/cyclinT by IMAP florescence polarization assay |
Bioorg Med Chem Lett 18: 5763-5 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.073
BindingDB Entry DOI: 10.7270/Q28P60H0 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM5931
(BMS-387072 | CHEMBL296468 | N-(5-{[(5-tert-butyl-1...)Show InChI InChI=1S/C17H24N4O2S2/c1-17(2,3)12-8-19-13(23-12)10-24-14-9-20-16(25-14)21-15(22)11-4-6-18-7-5-11/h8-9,11,18H,4-7,10H2,1-3H3,(H,20,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CDK7/cyclinH by IMAP florescence polarization assay |
Bioorg Med Chem Lett 18: 5763-5 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.073
BindingDB Entry DOI: 10.7270/Q28P60H0 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50293174
((trans)-N1-(5-((5-tert-butyloxazol-2-yl)methylthio...)Show SMILES CC(C)(C)c1cnc(CSc2cnc(N[C@H]3CC[C@H](N)CC3)s2)o1 |r,wU:18.18,wD:15.14,(8.72,-8.28,;10.22,-8.69,;10.66,-7.21,;9.78,-10.17,;11.68,-9.16,;12.15,-10.63,;13.7,-10.63,;14.18,-9.16,;15.64,-8.69,;16.79,-9.72,;18.25,-9.25,;19.5,-10.16,;20.74,-9.25,;20.27,-7.78,;21.18,-6.54,;22.71,-6.53,;23.48,-7.86,;25.01,-7.86,;25.78,-6.53,;27.32,-6.53,;25.01,-5.2,;23.47,-5.2,;18.73,-7.78,;12.93,-8.25,)| Show InChI InChI=1S/C17H26N4OS2/c1-17(2,3)13-8-19-14(22-13)10-23-15-9-20-16(24-15)21-12-6-4-11(18)5-7-12/h8-9,11-12H,4-7,10,18H2,1-3H3,(H,20,21)/t11-,12- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 97 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CDK9/cyclinT by IMAP florescence polarization assay |
Bioorg Med Chem Lett 18: 5763-5 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.073
BindingDB Entry DOI: 10.7270/Q28P60H0 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50293174
((trans)-N1-(5-((5-tert-butyloxazol-2-yl)methylthio...)Show SMILES CC(C)(C)c1cnc(CSc2cnc(N[C@H]3CC[C@H](N)CC3)s2)o1 |r,wU:18.18,wD:15.14,(8.72,-8.28,;10.22,-8.69,;10.66,-7.21,;9.78,-10.17,;11.68,-9.16,;12.15,-10.63,;13.7,-10.63,;14.18,-9.16,;15.64,-8.69,;16.79,-9.72,;18.25,-9.25,;19.5,-10.16,;20.74,-9.25,;20.27,-7.78,;21.18,-6.54,;22.71,-6.53,;23.48,-7.86,;25.01,-7.86,;25.78,-6.53,;27.32,-6.53,;25.01,-5.2,;23.47,-5.2,;18.73,-7.78,;12.93,-8.25,)| Show InChI InChI=1S/C17H26N4OS2/c1-17(2,3)13-8-19-14(22-13)10-23-15-9-20-16(24-15)21-12-6-4-11(18)5-7-12/h8-9,11-12H,4-7,10,18H2,1-3H3,(H,20,21)/t11-,12- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 105 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CDK7/cyclinH by IMAP florescence polarization assay |
Bioorg Med Chem Lett 18: 5763-5 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.073
BindingDB Entry DOI: 10.7270/Q28P60H0 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50293177
(CHEMBL505474 | N1-(5-((5-tert-butyloxazol-2-yl)met...)Show InChI InChI=1S/C17H26N4OS2/c1-17(2,3)13-8-19-14(22-13)10-23-15-9-20-16(24-15)21-12-6-4-5-11(18)7-12/h8-9,11-12H,4-7,10,18H2,1-3H3,(H,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 158 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/cyclin A by IMAP florescence polarization assay |
Bioorg Med Chem Lett 18: 5763-5 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.073
BindingDB Entry DOI: 10.7270/Q28P60H0 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50293173
(5-((5-tert-butyloxazol-2-yl)methylthio)-N-(cyclohe...)Show InChI InChI=1S/C18H27N3OS2/c1-18(2,3)14-10-19-15(22-14)12-23-16-11-21-17(24-16)20-9-13-7-5-4-6-8-13/h10-11,13H,4-9,12H2,1-3H3,(H,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 168 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/cyclin A by IMAP florescence polarization assay |
Bioorg Med Chem Lett 18: 5763-5 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.073
BindingDB Entry DOI: 10.7270/Q28P60H0 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50293182
(5-((5-tert-butyloxazol-2-yl)methylthio)-N-(piperid...)Show InChI InChI=1S/C17H26N4OS2/c1-17(2,3)13-9-19-14(22-13)11-23-15-10-21-16(24-15)20-8-12-4-6-18-7-5-12/h9-10,12,18H,4-8,11H2,1-3H3,(H,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 229 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/cyclin A by IMAP florescence polarization assay |
Bioorg Med Chem Lett 18: 5763-5 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.073
BindingDB Entry DOI: 10.7270/Q28P60H0 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50293174
((trans)-N1-(5-((5-tert-butyloxazol-2-yl)methylthio...)Show SMILES CC(C)(C)c1cnc(CSc2cnc(N[C@H]3CC[C@H](N)CC3)s2)o1 |r,wU:18.18,wD:15.14,(8.72,-8.28,;10.22,-8.69,;10.66,-7.21,;9.78,-10.17,;11.68,-9.16,;12.15,-10.63,;13.7,-10.63,;14.18,-9.16,;15.64,-8.69,;16.79,-9.72,;18.25,-9.25,;19.5,-10.16,;20.74,-9.25,;20.27,-7.78,;21.18,-6.54,;22.71,-6.53,;23.48,-7.86,;25.01,-7.86,;25.78,-6.53,;27.32,-6.53,;25.01,-5.2,;23.47,-5.2,;18.73,-7.78,;12.93,-8.25,)| Show InChI InChI=1S/C17H26N4OS2/c1-17(2,3)13-8-19-14(22-13)10-23-15-9-20-16(24-15)21-12-6-4-11(18)5-7-12/h8-9,11-12H,4-7,10,18H2,1-3H3,(H,20,21)/t11-,12- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 355 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CDK9 in human HCT116 cells assessed as phosphor-ser2 level of RNA polymerase 2 after 16 hrs by high content cellular assay |
Bioorg Med Chem Lett 18: 5763-5 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.073
BindingDB Entry DOI: 10.7270/Q28P60H0 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM5931
(BMS-387072 | CHEMBL296468 | N-(5-{[(5-tert-butyl-1...)Show InChI InChI=1S/C17H24N4O2S2/c1-17(2,3)12-8-19-13(23-12)10-24-14-9-20-16(25-14)21-15(22)11-4-6-18-7-5-11/h8-9,11,18H,4-7,10H2,1-3H3,(H,20,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
MCE
PC cid
PC sid
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UniChem
Patents
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| Article
PubMed
| n/a | n/a | 458 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CDK9 in human HCT116 cells assessed as phosphor-ser2 level of RNA polymerase 2 after 16 hrs by high content cellular assay |
Bioorg Med Chem Lett 18: 5763-5 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.073
BindingDB Entry DOI: 10.7270/Q28P60H0 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM5931
(BMS-387072 | CHEMBL296468 | N-(5-{[(5-tert-butyl-1...)Show InChI InChI=1S/C17H24N4O2S2/c1-17(2,3)12-8-19-13(23-12)10-24-14-9-20-16(25-14)21-15(22)11-4-6-18-7-5-11/h8-9,11,18H,4-7,10H2,1-3H3,(H,20,21,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
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| Purchase
CHEMBL
MCE
PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 480 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CDK1/cyclin B by IMAP florescence polarization assay |
Bioorg Med Chem Lett 18: 5763-5 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.073
BindingDB Entry DOI: 10.7270/Q28P60H0 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50293175
((cis)-N1-(5-((5-tert-butyloxazol-2-yl)methylthio)t...)Show SMILES CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CC[C@H](N)CC3)s2)o1 |r,wD:15.14,18.18,(-8.74,-18,;-7.24,-18.41,;-6.8,-16.94,;-7.67,-19.89,;-5.77,-18.89,;-5.3,-20.35,;-3.76,-20.35,;-3.28,-18.89,;-1.81,-18.41,;-.67,-19.45,;.8,-18.97,;2.04,-19.88,;3.29,-18.98,;2.81,-17.51,;3.72,-16.26,;5.26,-16.26,;6.01,-14.93,;7.55,-14.93,;8.32,-16.26,;9.87,-16.26,;7.55,-17.59,;6.03,-17.59,;1.27,-17.51,;-4.53,-17.98,)| Show InChI InChI=1S/C17H26N4OS2/c1-17(2,3)13-8-19-14(22-13)10-23-15-9-20-16(24-15)21-12-6-4-11(18)5-7-12/h8-9,11-12H,4-7,10,18H2,1-3H3,(H,20,21)/t11-,12+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 503 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/cyclin A by IMAP florescence polarization assay |
Bioorg Med Chem Lett 18: 5763-5 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.073
BindingDB Entry DOI: 10.7270/Q28P60H0 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50293180
(5-((5-tert-butyloxazol-2-yl)methylthio)-N-(piperid...)Show InChI InChI=1S/C16H24N4OS2/c1-16(2,3)12-8-18-13(21-12)10-22-14-9-19-15(23-14)20-11-4-6-17-7-5-11/h8-9,11,17H,4-7,10H2,1-3H3,(H,19,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 538 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/cyclin A by IMAP florescence polarization assay |
Bioorg Med Chem Lett 18: 5763-5 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.073
BindingDB Entry DOI: 10.7270/Q28P60H0 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50293181
(5-((5-tert-butyloxazol-2-yl)methylthio)thiazol-2-a...)Show InChI InChI=1S/C11H15N3OS2/c1-11(2,3)7-4-13-8(15-7)6-16-9-5-14-10(12)17-9/h4-5H,6H2,1-3H3,(H2,12,14) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 690 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/cyclin A by IMAP florescence polarization assay |
Bioorg Med Chem Lett 18: 5763-5 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.073
BindingDB Entry DOI: 10.7270/Q28P60H0 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50293174
((trans)-N1-(5-((5-tert-butyloxazol-2-yl)methylthio...)Show SMILES CC(C)(C)c1cnc(CSc2cnc(N[C@H]3CC[C@H](N)CC3)s2)o1 |r,wU:18.18,wD:15.14,(8.72,-8.28,;10.22,-8.69,;10.66,-7.21,;9.78,-10.17,;11.68,-9.16,;12.15,-10.63,;13.7,-10.63,;14.18,-9.16,;15.64,-8.69,;16.79,-9.72,;18.25,-9.25,;19.5,-10.16,;20.74,-9.25,;20.27,-7.78,;21.18,-6.54,;22.71,-6.53,;23.48,-7.86,;25.01,-7.86,;25.78,-6.53,;27.32,-6.53,;25.01,-5.2,;23.47,-5.2,;18.73,-7.78,;12.93,-8.25,)| Show InChI InChI=1S/C17H26N4OS2/c1-17(2,3)13-8-19-14(22-13)10-23-15-9-20-16(24-15)21-12-6-4-11(18)5-7-12/h8-9,11-12H,4-7,10,18H2,1-3H3,(H,20,21)/t11-,12- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 763 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CDK1/cyclin B by IMAP florescence polarization assay |
Bioorg Med Chem Lett 18: 5763-5 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.073
BindingDB Entry DOI: 10.7270/Q28P60H0 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50293176
((trans)-4-(5-((5-tert-butyloxazol-2-yl)methylthio)...)Show SMILES CC(C)(C)c1cnc(CSc2cnc(N[C@H]3CC[C@H](O)CC3)s2)o1 |r,wU:18.18,wD:15.14,(13.85,-15.9,;15.35,-16.31,;15.79,-14.83,;14.91,-17.79,;16.81,-16.79,;17.29,-18.25,;18.83,-18.25,;19.31,-16.79,;20.77,-16.31,;21.92,-17.34,;23.39,-16.87,;24.63,-17.78,;25.88,-16.87,;25.4,-15.41,;26.31,-14.16,;27.84,-14.16,;28.61,-15.49,;30.14,-15.48,;30.91,-14.15,;32.45,-14.15,;30.14,-12.82,;28.6,-12.82,;23.86,-15.41,;18.06,-15.88,)| Show InChI InChI=1S/C17H25N3O2S2/c1-17(2,3)13-8-18-14(22-13)10-23-15-9-19-16(24-15)20-11-4-6-12(21)7-5-11/h8-9,11-12,21H,4-7,10H2,1-3H3,(H,19,20)/t11-,12- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CDK9 in human HCT116 cells assessed as phosphor-ser2 level of RNA polymerase 2 after 16 hrs by high content cellular assay |
Bioorg Med Chem Lett 18: 5763-5 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.073
BindingDB Entry DOI: 10.7270/Q28P60H0 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50293178
(3-(5-((5-tert-butyloxazol-2-yl)methylthio)thiazol-...)Show InChI InChI=1S/C17H25N3O2S2/c1-17(2,3)13-8-18-14(22-13)10-23-15-9-19-16(24-15)20-11-5-4-6-12(21)7-11/h8-9,11-12,21H,4-7,10H2,1-3H3,(H,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CDK9 in human HCT116 cells assessed as phosphor-ser2 level of RNA polymerase 2 after 16 hrs by high content cellular assay |
Bioorg Med Chem Lett 18: 5763-5 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.073
BindingDB Entry DOI: 10.7270/Q28P60H0 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50293179
(5-((5-tert-butyloxazol-2-yl)methylthio)-N-cyclohex...)Show InChI InChI=1S/C17H25N3OS2/c1-17(2,3)13-9-18-14(21-13)11-22-15-10-19-16(23-15)20-12-7-5-4-6-8-12/h9-10,12H,4-8,11H2,1-3H3,(H,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CDK9 in human HCT116 cells assessed as phosphor-ser2 level of RNA polymerase 2 after 16 hrs by high content cellular assay |
Bioorg Med Chem Lett 18: 5763-5 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.073
BindingDB Entry DOI: 10.7270/Q28P60H0 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50293180
(5-((5-tert-butyloxazol-2-yl)methylthio)-N-(piperid...)Show InChI InChI=1S/C16H24N4OS2/c1-16(2,3)12-8-18-13(21-12)10-22-14-9-19-15(23-14)20-11-4-6-17-7-5-11/h8-9,11,17H,4-7,10H2,1-3H3,(H,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CDK9 in human HCT116 cells assessed as phosphor-ser2 level of RNA polymerase 2 after 16 hrs by high content cellular assay |
Bioorg Med Chem Lett 18: 5763-5 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.073
BindingDB Entry DOI: 10.7270/Q28P60H0 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50293175
((cis)-N1-(5-((5-tert-butyloxazol-2-yl)methylthio)t...)Show SMILES CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CC[C@H](N)CC3)s2)o1 |r,wD:15.14,18.18,(-8.74,-18,;-7.24,-18.41,;-6.8,-16.94,;-7.67,-19.89,;-5.77,-18.89,;-5.3,-20.35,;-3.76,-20.35,;-3.28,-18.89,;-1.81,-18.41,;-.67,-19.45,;.8,-18.97,;2.04,-19.88,;3.29,-18.98,;2.81,-17.51,;3.72,-16.26,;5.26,-16.26,;6.01,-14.93,;7.55,-14.93,;8.32,-16.26,;9.87,-16.26,;7.55,-17.59,;6.03,-17.59,;1.27,-17.51,;-4.53,-17.98,)| Show InChI InChI=1S/C17H26N4OS2/c1-17(2,3)13-8-19-14(22-13)10-23-15-9-20-16(24-15)21-12-6-4-11(18)5-7-12/h8-9,11-12H,4-7,10,18H2,1-3H3,(H,20,21)/t11-,12+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CDK9 in human HCT116 cells assessed as phosphor-ser2 level of RNA polymerase 2 after 16 hrs by high content cellular assay |
Bioorg Med Chem Lett 18: 5763-5 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.073
BindingDB Entry DOI: 10.7270/Q28P60H0 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50293173
(5-((5-tert-butyloxazol-2-yl)methylthio)-N-(cyclohe...)Show InChI InChI=1S/C18H27N3OS2/c1-18(2,3)14-10-19-15(22-14)12-23-16-11-21-17(24-16)20-9-13-7-5-4-6-8-13/h10-11,13H,4-9,12H2,1-3H3,(H,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CDK9 in human HCT116 cells assessed as phosphor-ser2 level of RNA polymerase 2 after 16 hrs by high content cellular assay |
Bioorg Med Chem Lett 18: 5763-5 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.073
BindingDB Entry DOI: 10.7270/Q28P60H0 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50293182
(5-((5-tert-butyloxazol-2-yl)methylthio)-N-(piperid...)Show InChI InChI=1S/C17H26N4OS2/c1-17(2,3)13-9-19-14(22-13)11-23-15-10-21-16(24-15)20-8-12-4-6-18-7-5-12/h9-10,12,18H,4-8,11H2,1-3H3,(H,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CDK9 in human HCT116 cells assessed as phosphor-ser2 level of RNA polymerase 2 after 16 hrs by high content cellular assay |
Bioorg Med Chem Lett 18: 5763-5 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.073
BindingDB Entry DOI: 10.7270/Q28P60H0 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50293181
(5-((5-tert-butyloxazol-2-yl)methylthio)thiazol-2-a...)Show InChI InChI=1S/C11H15N3OS2/c1-11(2,3)7-4-13-8(15-7)6-16-9-5-14-10(12)17-9/h4-5H,6H2,1-3H3,(H2,12,14) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CDK9 in human HCT116 cells assessed as phosphor-ser2 level of RNA polymerase 2 after 16 hrs by high content cellular assay |
Bioorg Med Chem Lett 18: 5763-5 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.073
BindingDB Entry DOI: 10.7270/Q28P60H0 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50293177
(CHEMBL505474 | N1-(5-((5-tert-butyloxazol-2-yl)met...)Show InChI InChI=1S/C17H26N4OS2/c1-17(2,3)13-8-19-14(22-13)10-23-15-9-20-16(24-15)21-12-6-4-5-11(18)7-12/h8-9,11-12H,4-7,10,18H2,1-3H3,(H,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CDK9 in human HCT116 cells assessed as phosphor-ser2 level of RNA polymerase 2 after 16 hrs by high content cellular assay |
Bioorg Med Chem Lett 18: 5763-5 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.073
BindingDB Entry DOI: 10.7270/Q28P60H0 |
More data for this
Ligand-Target Pair | |
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