BindingDB logo
myBDB logout

11 similar compounds to monomer 81434

Compile data set for download or QSAR
Wt: 368.4
BDBM8060
Wt: 390.4
BDBM81429
Wt: 376.4
BDBM81430
Wt: 390.4
BDBM81431
Wt: 375.4
BDBM81433
Purchase
Wt: 402.4
BDBM50431336
Wt: 404.5
BDBM50431357
Wt: 390.4
BDBM50431358
Wt: 410.9
BDBM50431359
Wt: 392.4
BDBM50431361
Wt: 400.4
BDBM50443451

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 50 hits for monomerid = 8060,81429,81430,81431,81433,50431336,50431357,50431358,50431359,50431361,50443451   
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-dependent kinase 9


(Homo sapiens (Human))
BDBM81433
PNG
(CDK Inhibitor, 6)
Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(C)(=O)=O)n1
Show InChI InChI=1S/C16H17N5O2S2/c1-10-14(24-16(17-2)19-10)13-7-8-18-15(21-13)20-11-5-4-6-12(9-11)25(3,22)23/h4-9H,1-3H3,(H,17,19)(H,18,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.290n/an/an/an/an/an/an/an/a



Cyclacel Limited



Assay Description
Kinase assay using cyclin-dependant kinases (CDK).


Chem Biol 17: 1111-21 (2010)


Article DOI: 10.1016/j.chembiol.2010.07.016
BindingDB Entry DOI: 10.7270/Q2BV7F3Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM81430
PNG
(CDK Inhibitor, 3)
Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
Show InChI InChI=1S/C15H16N6O2S2/c1-9-13(24-15(17-2)19-9)12-6-7-18-14(21-12)20-10-4-3-5-11(8-10)25(16,22)23/h3-8H,1-2H3,(H,17,19)(H2,16,22,23)(H,18,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.800n/an/an/an/an/an/an/an/a



Cyclacel Limited



Assay Description
Kinase assay using cyclin-dependant kinases (CDK).


Chem Biol 17: 1111-21 (2010)


Article DOI: 10.1016/j.chembiol.2010.07.016
BindingDB Entry DOI: 10.7270/Q2BV7F3Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM81433
PNG
(CDK Inhibitor, 6)
Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(C)(=O)=O)n1
Show InChI InChI=1S/C16H17N5O2S2/c1-10-14(24-16(17-2)19-10)13-7-8-18-15(21-13)20-11-5-4-6-12(9-11)25(3,22)23/h4-9H,1-3H3,(H,17,19)(H,18,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.60n/an/an/an/an/an/an/an/a



Cyclacel Limited



Assay Description
Kinase assay using cyclin-dependant kinases (CDK).


Chem Biol 17: 1111-21 (2010)


Article DOI: 10.1016/j.chembiol.2010.07.016
BindingDB Entry DOI: 10.7270/Q2BV7F3Q
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM81430
PNG
(CDK Inhibitor, 3)
Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
Show InChI InChI=1S/C15H16N6O2S2/c1-9-13(24-15(17-2)19-9)12-6-7-18-14(21-12)20-10-4-3-5-11(8-10)25(16,22)23/h3-8H,1-2H3,(H,17,19)(H2,16,22,23)(H,18,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6 tagged CDK9/CyclinT1 expressed in Sf21 insect cells after 40 mins by scintillation counting analysis


J Med Chem 56: 640-59 (2013)


Article DOI: 10.1021/jm301475f
BindingDB Entry DOI: 10.7270/Q26D5VBB
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50431336
PNG
(CHEMBL2348846)
Show SMILES CNc1nc(C2CC2)c(s1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
Show InChI InChI=1S/C17H18N6O2S2/c1-19-17-23-14(10-5-6-10)15(26-17)13-7-8-20-16(22-13)21-11-3-2-4-12(9-11)27(18,24)25/h2-4,7-10H,5-6H2,1H3,(H,19,23)(H2,18,24,25)(H,20,21,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6 tagged CDK2/Cyclin A expressed in Sf21 insect cells after 40 mins by scintillation counting analysis


J Med Chem 56: 640-59 (2013)


Article DOI: 10.1021/jm301475f
BindingDB Entry DOI: 10.7270/Q26D5VBB
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM81430
PNG
(CDK Inhibitor, 3)
Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
Show InChI InChI=1S/C15H16N6O2S2/c1-9-13(24-15(17-2)19-9)12-6-7-18-14(21-12)20-10-4-3-5-11(8-10)25(16,22)23/h3-8H,1-2H3,(H,17,19)(H2,16,22,23)(H,18,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2.40n/an/an/an/an/an/an/an/a



Cyclacel Limited



Assay Description
Kinase assay using cyclin-dependant kinases (CDK).


Chem Biol 17: 1111-21 (2010)


Article DOI: 10.1016/j.chembiol.2010.07.016
BindingDB Entry DOI: 10.7270/Q2BV7F3Q
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM81430
PNG
(CDK Inhibitor, 3)
Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
Show InChI InChI=1S/C15H16N6O2S2/c1-9-13(24-15(17-2)19-9)12-6-7-18-14(21-12)20-10-4-3-5-11(8-10)25(16,22)23/h3-8H,1-2H3,(H,17,19)(H2,16,22,23)(H,18,20,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
4n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6 tagged CDK2/Cyclin A expressed in Sf21 insect cells after 40 mins by scintillation counting analysis


J Med Chem 56: 640-59 (2013)


Article DOI: 10.1021/jm301475f
BindingDB Entry DOI: 10.7270/Q26D5VBB
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM81431
PNG
(CDK Inhibitor, 4)
Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(=O)(=O)NC)n1
Show InChI InChI=1S/C16H18N6O2S2/c1-10-14(25-16(17-2)20-10)13-7-8-19-15(22-13)21-11-5-4-6-12(9-11)26(23,24)18-3/h4-9,18H,1-3H3,(H,17,20)(H,19,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
4.30n/an/an/an/an/an/an/an/a



Cyclacel Limited



Assay Description
Kinase assay using cyclin-dependant kinases (CDK).


Chem Biol 17: 1111-21 (2010)


Article DOI: 10.1016/j.chembiol.2010.07.016
BindingDB Entry DOI: 10.7270/Q2BV7F3Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM81429
PNG
(CDK Inhibitor, 2)
Show SMILES CCNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
Show InChI InChI=1S/C16H18N6O2S2/c1-3-18-16-20-10(2)14(25-16)13-7-8-19-15(22-13)21-11-5-4-6-12(9-11)26(17,23)24/h4-9H,3H2,1-2H3,(H,18,20)(H2,17,23,24)(H,19,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
4.5n/an/an/an/an/an/an/an/a



Cyclacel Limited



Assay Description
Kinase assay using cyclin-dependant kinases (CDK).


Chem Biol 17: 1111-21 (2010)


Article DOI: 10.1016/j.chembiol.2010.07.016
BindingDB Entry DOI: 10.7270/Q2BV7F3Q
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50431358
PNG
(CHEMBL2348638)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1C
Show InChI InChI=1S/C16H18N6O2S2/c1-9-8-19-15(21-11-5-4-6-12(7-11)26(17,23)24)22-13(9)14-10(2)20-16(18-3)25-14/h4-8H,1-3H3,(H,18,20)(H2,17,23,24)(H,19,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6 tagged CDK9/CyclinT1 expressed in Sf21 insect cells after 40 mins by scintillation counting analysis


J Med Chem 56: 640-59 (2013)


Article DOI: 10.1021/jm301475f
BindingDB Entry DOI: 10.7270/Q26D5VBB
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50443451
PNG
(CHEMBL3087444)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(C)(=O)=O)ncc1C#N
Show InChI InChI=1S/C17H16N6O2S2/c1-10-15(26-17(19-2)21-10)14-11(8-18)9-20-16(23-14)22-12-5-4-6-13(7-12)27(3,24)25/h4-7,9H,1-3H3,(H,19,21)(H,20,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of CDK9/Cyclin T1 (unknown origin) by radiometric assay


Eur J Med Chem 70: 447-55 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.052
BindingDB Entry DOI: 10.7270/Q24J0GKS
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM81430
PNG
(CDK Inhibitor, 3)
Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
Show InChI InChI=1S/C15H16N6O2S2/c1-9-13(24-15(17-2)19-9)12-6-7-18-14(21-12)20-10-4-3-5-11(8-10)25(16,22)23/h3-8H,1-2H3,(H,17,19)(H2,16,22,23)(H,18,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
6n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6 tagged CDK1/Cyclin B expressed in Sf21 insect cells after 40 mins by scintillation counting analysis


J Med Chem 56: 640-59 (2013)


Article DOI: 10.1021/jm301475f
BindingDB Entry DOI: 10.7270/Q26D5VBB
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM81430
PNG
(CDK Inhibitor, 3)
Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
Show InChI InChI=1S/C15H16N6O2S2/c1-9-13(24-15(17-2)19-9)12-6-7-18-14(21-12)20-10-4-3-5-11(8-10)25(16,22)23/h3-8H,1-2H3,(H,17,19)(H2,16,22,23)(H,18,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
9.10n/an/an/an/an/an/an/an/a



Cyclacel Limited



Assay Description
Kinase assay using cyclin-dependant kinases (CDK).


Chem Biol 17: 1111-21 (2010)


Article DOI: 10.1016/j.chembiol.2010.07.016
BindingDB Entry DOI: 10.7270/Q2BV7F3Q
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50431359
PNG
(CHEMBL2348637)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1Cl
Show InChI InChI=1S/C15H15ClN6O2S2/c1-8-13(25-15(18-2)20-8)12-11(16)7-19-14(22-12)21-9-4-3-5-10(6-9)26(17,23)24/h3-7H,1-2H3,(H,18,20)(H2,17,23,24)(H,19,21,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
10n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6 tagged CDK2/Cyclin A expressed in Sf21 insect cells after 40 mins by scintillation counting analysis


J Med Chem 56: 640-59 (2013)


Article DOI: 10.1021/jm301475f
BindingDB Entry DOI: 10.7270/Q26D5VBB
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50431359
PNG
(CHEMBL2348637)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1Cl
Show InChI InChI=1S/C15H15ClN6O2S2/c1-8-13(25-15(18-2)20-8)12-11(16)7-19-14(22-12)21-9-4-3-5-10(6-9)26(17,23)24/h3-7H,1-2H3,(H,18,20)(H2,17,23,24)(H,19,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
11n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6 tagged CDK9/CyclinT1 expressed in Sf21 insect cells after 40 mins by scintillation counting analysis


J Med Chem 56: 640-59 (2013)


Article DOI: 10.1021/jm301475f
BindingDB Entry DOI: 10.7270/Q26D5VBB
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50431336
PNG
(CHEMBL2348846)
Show SMILES CNc1nc(C2CC2)c(s1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
Show InChI InChI=1S/C17H18N6O2S2/c1-19-17-23-14(10-5-6-10)15(26-17)13-7-8-20-16(22-13)21-11-3-2-4-12(9-11)27(18,24)25/h2-4,7-10H,5-6H2,1H3,(H,19,23)(H2,18,24,25)(H,20,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
16n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6 tagged CDK9/CyclinT1 expressed in Sf21 insect cells after 40 mins by scintillation counting analysis


J Med Chem 56: 640-59 (2013)


Article DOI: 10.1021/jm301475f
BindingDB Entry DOI: 10.7270/Q26D5VBB
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50431336
PNG
(CHEMBL2348846)
Show SMILES CNc1nc(C2CC2)c(s1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
Show InChI InChI=1S/C17H18N6O2S2/c1-19-17-23-14(10-5-6-10)15(26-17)13-7-8-20-16(22-13)21-11-3-2-4-12(9-11)27(18,24)25/h2-4,7-10H,5-6H2,1H3,(H,19,23)(H2,18,24,25)(H,20,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
18n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6 tagged CDK1/Cyclin B expressed in Sf21 insect cells after 40 mins by scintillation counting analysis


J Med Chem 56: 640-59 (2013)


Article DOI: 10.1021/jm301475f
BindingDB Entry DOI: 10.7270/Q26D5VBB
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50443451
PNG
(CHEMBL3087444)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(C)(=O)=O)ncc1C#N
Show InChI InChI=1S/C17H16N6O2S2/c1-10-15(26-17(19-2)21-10)14-11(8-18)9-20-16(23-14)22-12-5-4-6-13(7-12)27(3,24)25/h4-7,9H,1-3H3,(H,19,21)(H,20,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
19n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of CDK1/Cyclin B (unknown origin) by radiometric assay


Eur J Med Chem 70: 447-55 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.052
BindingDB Entry DOI: 10.7270/Q24J0GKS
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50431359
PNG
(CHEMBL2348637)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1Cl
Show InChI InChI=1S/C15H15ClN6O2S2/c1-8-13(25-15(18-2)20-8)12-11(16)7-19-14(22-12)21-9-4-3-5-10(6-9)26(17,23)24/h3-7H,1-2H3,(H,18,20)(H2,17,23,24)(H,19,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
19n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6 tagged CDK1/Cyclin B expressed in Sf21 insect cells after 40 mins by scintillation counting analysis


J Med Chem 56: 640-59 (2013)


Article DOI: 10.1021/jm301475f
BindingDB Entry DOI: 10.7270/Q26D5VBB
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM81431
PNG
(CDK Inhibitor, 4)
Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(=O)(=O)NC)n1
Show InChI InChI=1S/C16H18N6O2S2/c1-10-14(25-16(17-2)20-10)13-7-8-19-15(22-13)21-11-5-4-6-12(9-11)26(23,24)18-3/h4-9,18H,1-3H3,(H,17,20)(H,19,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
20n/an/an/an/an/an/an/an/a



Cyclacel Limited



Assay Description
Kinase assay using cyclin-dependant kinases (CDK).


Chem Biol 17: 1111-21 (2010)


Article DOI: 10.1016/j.chembiol.2010.07.016
BindingDB Entry DOI: 10.7270/Q2BV7F3Q
More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (Human))
BDBM81430
PNG
(CDK Inhibitor, 3)
Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
Show InChI InChI=1S/C15H16N6O2S2/c1-9-13(24-15(17-2)19-9)12-6-7-18-14(21-12)20-10-4-3-5-11(8-10)25(16,22)23/h3-8H,1-2H3,(H,17,19)(H2,16,22,23)(H,18,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
25n/an/an/an/an/an/an/an/a



Cyclacel Limited



Assay Description
Kinase assay using cyclin-dependant kinases (CDK).


Chem Biol 17: 1111-21 (2010)


Article DOI: 10.1016/j.chembiol.2010.07.016
BindingDB Entry DOI: 10.7270/Q2BV7F3Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM81431
PNG
(CDK Inhibitor, 4)
Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(=O)(=O)NC)n1
Show InChI InChI=1S/C16H18N6O2S2/c1-10-14(25-16(17-2)20-10)13-7-8-19-15(22-13)21-11-5-4-6-12(9-11)26(23,24)18-3/h4-9,18H,1-3H3,(H,17,20)(H,19,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
33n/an/an/an/an/an/an/an/a



Cyclacel Limited



Assay Description
Kinase assay using cyclin-dependant kinases (CDK).


Chem Biol 17: 1111-21 (2010)


Article DOI: 10.1016/j.chembiol.2010.07.016
BindingDB Entry DOI: 10.7270/Q2BV7F3Q
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50431358
PNG
(CHEMBL2348638)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1C
Show InChI InChI=1S/C16H18N6O2S2/c1-9-8-19-15(21-11-5-4-6-12(7-11)26(17,23)24)22-13(9)14-10(2)20-16(18-3)25-14/h4-8H,1-3H3,(H,18,20)(H2,17,23,24)(H,19,21,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
34n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6 tagged CDK2/Cyclin A expressed in Sf21 insect cells after 40 mins by scintillation counting analysis


J Med Chem 56: 640-59 (2013)


Article DOI: 10.1021/jm301475f
BindingDB Entry DOI: 10.7270/Q26D5VBB
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM50443451
PNG
(CHEMBL3087444)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(C)(=O)=O)ncc1C#N
Show InChI InChI=1S/C17H16N6O2S2/c1-10-15(26-17(19-2)21-10)14-11(8-18)9-20-16(23-14)22-12-5-4-6-13(7-12)27(3,24)25/h4-7,9H,1-3H3,(H,19,21)(H,20,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
43n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A (unknown origin) by radiometric assay


Eur J Med Chem 70: 447-55 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.052
BindingDB Entry DOI: 10.7270/Q24J0GKS
More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (Human))
BDBM81429
PNG
(CDK Inhibitor, 2)
Show SMILES CCNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
Show InChI InChI=1S/C16H18N6O2S2/c1-3-18-16-20-10(2)14(25-16)13-7-8-19-15(22-13)21-11-5-4-6-12(9-11)26(17,23)24/h4-9H,3H2,1-2H3,(H,18,20)(H2,17,23,24)(H,19,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
56n/an/an/an/an/an/an/an/a



Cyclacel Limited



Assay Description
Kinase assay using cyclin-dependant kinases (CDK).


Chem Biol 17: 1111-21 (2010)


Article DOI: 10.1016/j.chembiol.2010.07.016
BindingDB Entry DOI: 10.7270/Q2BV7F3Q
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50431358
PNG
(CHEMBL2348638)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1C
Show InChI InChI=1S/C16H18N6O2S2/c1-9-8-19-15(21-11-5-4-6-12(7-11)26(17,23)24)22-13(9)14-10(2)20-16(18-3)25-14/h4-8H,1-3H3,(H,18,20)(H2,17,23,24)(H,19,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
62n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6 tagged CDK1/Cyclin B expressed in Sf21 insect cells after 40 mins by scintillation counting analysis


J Med Chem 56: 640-59 (2013)


Article DOI: 10.1021/jm301475f
BindingDB Entry DOI: 10.7270/Q26D5VBB
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM81430
PNG
(CDK Inhibitor, 3)
Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
Show InChI InChI=1S/C15H16N6O2S2/c1-9-13(24-15(17-2)19-9)12-6-7-18-14(21-12)20-10-4-3-5-11(8-10)25(16,22)23/h3-8H,1-2H3,(H,17,19)(H2,16,22,23)(H,18,20,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
67n/an/an/an/an/an/an/an/a



Cyclacel Limited



Assay Description
Kinase assay using cyclin-dependant kinases (CDK).


Chem Biol 17: 1111-21 (2010)


Article DOI: 10.1016/j.chembiol.2010.07.016
BindingDB Entry DOI: 10.7270/Q2BV7F3Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM81433
PNG
(CDK Inhibitor, 6)
Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(C)(=O)=O)n1
Show InChI InChI=1S/C16H17N5O2S2/c1-10-14(24-16(17-2)19-10)13-7-8-18-15(21-13)20-11-5-4-6-12(9-11)25(3,22)23/h4-9H,1-3H3,(H,17,19)(H,18,20,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
86n/an/an/an/an/an/an/an/a



Cyclacel Limited



Assay Description
Kinase assay using cyclin-dependant kinases (CDK).


Chem Biol 17: 1111-21 (2010)


Article DOI: 10.1016/j.chembiol.2010.07.016
BindingDB Entry DOI: 10.7270/Q2BV7F3Q
More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (Human))
BDBM81433
PNG
(CDK Inhibitor, 6)
Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(C)(=O)=O)n1
Show InChI InChI=1S/C16H17N5O2S2/c1-10-14(24-16(17-2)19-10)13-7-8-18-15(21-13)20-11-5-4-6-12(9-11)25(3,22)23/h4-9H,1-3H3,(H,17,19)(H,18,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
91n/an/an/an/an/an/an/an/a



Cyclacel Limited



Assay Description
Kinase assay using cyclin-dependant kinases (CDK).


Chem Biol 17: 1111-21 (2010)


Article DOI: 10.1016/j.chembiol.2010.07.016
BindingDB Entry DOI: 10.7270/Q2BV7F3Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM81433
PNG
(CDK Inhibitor, 6)
Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(C)(=O)=O)n1
Show InChI InChI=1S/C16H17N5O2S2/c1-10-14(24-16(17-2)19-10)13-7-8-18-15(21-13)20-11-5-4-6-12(9-11)25(3,22)23/h4-9H,1-3H3,(H,17,19)(H,18,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
94n/an/an/an/an/an/an/an/a



Cyclacel Limited



Assay Description
Kinase assay using cyclin-dependant kinases (CDK).


Chem Biol 17: 1111-21 (2010)


Article DOI: 10.1016/j.chembiol.2010.07.016
BindingDB Entry DOI: 10.7270/Q2BV7F3Q
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50431357
PNG
(CHEMBL2348639)
Show SMILES CCc1cnc(Nc2cccc(c2)S(N)(=O)=O)nc1-c1sc(NC)nc1C
Show InChI InChI=1S/C17H20N6O2S2/c1-4-11-9-20-16(22-12-6-5-7-13(8-12)27(18,24)25)23-14(11)15-10(2)21-17(19-3)26-15/h5-9H,4H2,1-3H3,(H,19,21)(H2,18,24,25)(H,20,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
98n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6 tagged CDK9/CyclinT1 expressed in Sf21 insect cells after 40 mins by scintillation counting analysis


J Med Chem 56: 640-59 (2013)


Article DOI: 10.1021/jm301475f
BindingDB Entry DOI: 10.7270/Q26D5VBB
More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (Human))
BDBM81431
PNG
(CDK Inhibitor, 4)
Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(=O)(=O)NC)n1
Show InChI InChI=1S/C16H18N6O2S2/c1-10-14(25-16(17-2)20-10)13-7-8-19-15(22-13)21-11-5-4-6-12(9-11)26(23,24)18-3/h4-9,18H,1-3H3,(H,17,20)(H,19,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
107n/an/an/an/an/an/an/an/a



Cyclacel Limited



Assay Description
Kinase assay using cyclin-dependant kinases (CDK).


Chem Biol 17: 1111-21 (2010)


Article DOI: 10.1016/j.chembiol.2010.07.016
BindingDB Entry DOI: 10.7270/Q2BV7F3Q
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM50443451
PNG
(CHEMBL3087444)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(C)(=O)=O)ncc1C#N
Show InChI InChI=1S/C17H16N6O2S2/c1-10-15(26-17(19-2)21-10)14-11(8-18)9-20-16(23-14)22-12-5-4-6-13(7-12)27(3,24)25/h4-7,9H,1-3H3,(H,19,21)(H,20,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
110n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of CDK7/Cyclin H (unknown origin) by radiometric assay


Eur J Med Chem 70: 447-55 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.052
BindingDB Entry DOI: 10.7270/Q24J0GKS
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM81429
PNG
(CDK Inhibitor, 2)
Show SMILES CCNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
Show InChI InChI=1S/C16H18N6O2S2/c1-3-18-16-20-10(2)14(25-16)13-7-8-19-15(22-13)21-11-5-4-6-12(9-11)26(17,23)24/h4-9H,3H2,1-2H3,(H,18,20)(H2,17,23,24)(H,19,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
132n/an/an/an/an/an/an/an/a



Cyclacel Limited



Assay Description
Kinase assay using cyclin-dependant kinases (CDK).


Chem Biol 17: 1111-21 (2010)


Article DOI: 10.1016/j.chembiol.2010.07.016
BindingDB Entry DOI: 10.7270/Q2BV7F3Q
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM8060
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 31 | 4...)
Show SMILES Cc1nc(NCC=C)sc1-c1ccnc(Nc2cccc(c2)N(=O)=O)n1
Show InChI InChI=1S/C17H16N6O2S/c1-3-8-19-17-20-11(2)15(26-17)14-7-9-18-16(22-14)21-12-5-4-6-13(10-12)23(24)25/h3-7,9-10H,1,8H2,2H3,(H,19,20)(H,18,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
160 -9.42n/an/an/an/an/an/a30



Cyclacel Limited



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...


J Med Chem 47: 1662-75 (2004)


Article DOI: 10.1021/jm0309957
BindingDB Entry DOI: 10.7270/Q2H993DD
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM50431336
PNG
(CHEMBL2348846)
Show SMILES CNc1nc(C2CC2)c(s1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
Show InChI InChI=1S/C17H18N6O2S2/c1-19-17-23-14(10-5-6-10)15(26-17)13-7-8-20-16(22-13)21-11-3-2-4-12(9-11)27(18,24)25/h2-4,7-10H,5-6H2,1H3,(H,19,23)(H2,18,24,25)(H,20,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
273n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6 tagged CDK7/CyclinH/MAT1 expressed in Sf21 insect cells after 40 mins by scintillation counting analysis


J Med Chem 56: 640-59 (2013)


Article DOI: 10.1021/jm301475f
BindingDB Entry DOI: 10.7270/Q26D5VBB
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM81431
PNG
(CDK Inhibitor, 4)
Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(=O)(=O)NC)n1
Show InChI InChI=1S/C16H18N6O2S2/c1-10-14(25-16(17-2)20-10)13-7-8-19-15(22-13)21-11-5-4-6-12(9-11)26(23,24)18-3/h4-9,18H,1-3H3,(H,17,20)(H,19,21,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
334n/an/an/an/an/an/an/an/a



Cyclacel Limited



Assay Description
Kinase assay using cyclin-dependant kinases (CDK).


Chem Biol 17: 1111-21 (2010)


Article DOI: 10.1016/j.chembiol.2010.07.016
BindingDB Entry DOI: 10.7270/Q2BV7F3Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM81429
PNG
(CDK Inhibitor, 2)
Show SMILES CCNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
Show InChI InChI=1S/C16H18N6O2S2/c1-3-18-16-20-10(2)14(25-16)13-7-8-19-15(22-13)21-11-5-4-6-12(9-11)26(17,23)24/h4-9H,3H2,1-2H3,(H,18,20)(H2,17,23,24)(H,19,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
403n/an/an/an/an/an/an/an/a



Cyclacel Limited



Assay Description
Kinase assay using cyclin-dependant kinases (CDK).


Chem Biol 17: 1111-21 (2010)


Article DOI: 10.1016/j.chembiol.2010.07.016
BindingDB Entry DOI: 10.7270/Q2BV7F3Q
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM50431359
PNG
(CHEMBL2348637)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1Cl
Show InChI InChI=1S/C15H15ClN6O2S2/c1-8-13(25-15(18-2)20-8)12-11(16)7-19-14(22-12)21-9-4-3-5-10(6-9)26(17,23)24/h3-7H,1-2H3,(H,18,20)(H2,17,23,24)(H,19,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
685n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6 tagged CDK7/CyclinH/MAT1 expressed in Sf21 insect cells after 40 mins by scintillation counting analysis


J Med Chem 56: 640-59 (2013)


Article DOI: 10.1021/jm301475f
BindingDB Entry DOI: 10.7270/Q26D5VBB
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM81429
PNG
(CDK Inhibitor, 2)
Show SMILES CCNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
Show InChI InChI=1S/C16H18N6O2S2/c1-3-18-16-20-10(2)14(25-16)13-7-8-19-15(22-13)21-11-5-4-6-12(9-11)26(17,23)24/h4-9H,3H2,1-2H3,(H,18,20)(H2,17,23,24)(H,19,21,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
691n/an/an/an/an/an/an/an/a



Cyclacel Limited



Assay Description
Kinase assay using cyclin-dependant kinases (CDK).


Chem Biol 17: 1111-21 (2010)


Article DOI: 10.1016/j.chembiol.2010.07.016
BindingDB Entry DOI: 10.7270/Q2BV7F3Q
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50431357
PNG
(CHEMBL2348639)
Show SMILES CCc1cnc(Nc2cccc(c2)S(N)(=O)=O)nc1-c1sc(NC)nc1C
Show InChI InChI=1S/C17H20N6O2S2/c1-4-11-9-20-16(22-12-6-5-7-13(8-12)27(18,24)25)23-14(11)15-10(2)21-17(19-3)26-15/h5-9H,4H2,1-3H3,(H,19,21)(H2,18,24,25)(H,20,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
788n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6 tagged CDK1/Cyclin B expressed in Sf21 insect cells after 40 mins by scintillation counting analysis


J Med Chem 56: 640-59 (2013)


Article DOI: 10.1021/jm301475f
BindingDB Entry DOI: 10.7270/Q26D5VBB
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50431357
PNG
(CHEMBL2348639)
Show SMILES CCc1cnc(Nc2cccc(c2)S(N)(=O)=O)nc1-c1sc(NC)nc1C
Show InChI InChI=1S/C17H20N6O2S2/c1-4-11-9-20-16(22-12-6-5-7-13(8-12)27(18,24)25)23-14(11)15-10(2)21-17(19-3)26-15/h5-9H,4H2,1-3H3,(H,19,21)(H2,18,24,25)(H,20,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
845n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6 tagged CDK2/Cyclin A expressed in Sf21 insect cells after 40 mins by scintillation counting analysis


J Med Chem 56: 640-59 (2013)


Article DOI: 10.1021/jm301475f
BindingDB Entry DOI: 10.7270/Q26D5VBB
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM50431358
PNG
(CHEMBL2348638)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1C
Show InChI InChI=1S/C16H18N6O2S2/c1-9-8-19-15(21-11-5-4-6-12(7-11)26(17,23)24)22-13(9)14-10(2)20-16(18-3)25-14/h4-8H,1-3H3,(H,18,20)(H2,17,23,24)(H,19,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.18E+3n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6 tagged CDK7/CyclinH/MAT1 expressed in Sf21 insect cells after 40 mins by scintillation counting analysis


J Med Chem 56: 640-59 (2013)


Article DOI: 10.1021/jm301475f
BindingDB Entry DOI: 10.7270/Q26D5VBB
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM50431357
PNG
(CHEMBL2348639)
Show SMILES CCc1cnc(Nc2cccc(c2)S(N)(=O)=O)nc1-c1sc(NC)nc1C
Show InChI InChI=1S/C17H20N6O2S2/c1-4-11-9-20-16(22-12-6-5-7-13(8-12)27(18,24)25)23-14(11)15-10(2)21-17(19-3)26-15/h5-9H,4H2,1-3H3,(H,19,21)(H2,18,24,25)(H,20,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.29E+3n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6 tagged CDK7/CyclinH/MAT1 expressed in Sf21 insect cells after 40 mins by scintillation counting analysis


J Med Chem 56: 640-59 (2013)


Article DOI: 10.1021/jm301475f
BindingDB Entry DOI: 10.7270/Q26D5VBB
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM81430
PNG
(CDK Inhibitor, 3)
Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
Show InChI InChI=1S/C15H16N6O2S2/c1-9-13(24-15(17-2)19-9)12-6-7-18-14(21-12)20-10-4-3-5-11(8-10)25(16,22)23/h3-8H,1-2H3,(H,17,19)(H2,16,22,23)(H,18,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.96E+3n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6 tagged CDK7/CyclinH/MAT1 expressed in Sf21 insect cells after 40 mins by scintillation counting analysis


J Med Chem 56: 640-59 (2013)


Article DOI: 10.1021/jm301475f
BindingDB Entry DOI: 10.7270/Q26D5VBB
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50431361
PNG
(CHEMBL2347596)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1O
Show InChI InChI=1S/C15H16N6O3S2/c1-8-13(25-15(17-2)19-8)12-11(22)7-18-14(21-12)20-9-4-3-5-10(6-9)26(16,23)24/h3-7,22H,1-2H3,(H,17,19)(H2,16,23,24)(H,18,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6 tagged CDK9/CyclinT1 expressed in Sf21 insect cells after 40 mins by scintillation counting analysis


J Med Chem 56: 640-59 (2013)


Article DOI: 10.1021/jm301475f
BindingDB Entry DOI: 10.7270/Q26D5VBB
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM50431361
PNG
(CHEMBL2347596)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1O
Show InChI InChI=1S/C15H16N6O3S2/c1-8-13(25-15(17-2)19-8)12-11(22)7-18-14(21-12)20-9-4-3-5-10(6-9)26(16,23)24/h3-7,22H,1-2H3,(H,17,19)(H2,16,23,24)(H,18,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6 tagged CDK7/CyclinH/MAT1 expressed in Sf21 insect cells after 40 mins by scintillation counting analysis


J Med Chem 56: 640-59 (2013)


Article DOI: 10.1021/jm301475f
BindingDB Entry DOI: 10.7270/Q26D5VBB
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50431361
PNG
(CHEMBL2347596)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1O
Show InChI InChI=1S/C15H16N6O3S2/c1-8-13(25-15(17-2)19-8)12-11(22)7-18-14(21-12)20-9-4-3-5-10(6-9)26(16,23)24/h3-7,22H,1-2H3,(H,17,19)(H2,16,23,24)(H,18,20,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6 tagged CDK2/Cyclin A expressed in Sf21 insect cells after 40 mins by scintillation counting analysis


J Med Chem 56: 640-59 (2013)


Article DOI: 10.1021/jm301475f
BindingDB Entry DOI: 10.7270/Q26D5VBB
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50431361
PNG
(CHEMBL2347596)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1O
Show InChI InChI=1S/C15H16N6O3S2/c1-8-13(25-15(17-2)19-8)12-11(22)7-18-14(21-12)20-9-4-3-5-10(6-9)26(16,23)24/h3-7,22H,1-2H3,(H,17,19)(H2,16,23,24)(H,18,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6 tagged CDK1/Cyclin B expressed in Sf21 insect cells after 40 mins by scintillation counting analysis


J Med Chem 56: 640-59 (2013)


Article DOI: 10.1021/jm301475f
BindingDB Entry DOI: 10.7270/Q26D5VBB
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM8060
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 31 | 4...)
Show SMILES Cc1nc(NCC=C)sc1-c1ccnc(Nc2cccc(c2)N(=O)=O)n1
Show InChI InChI=1S/C17H16N6O2S/c1-3-8-19-17-20-11(2)15(26-17)14-7-9-18-16(22-14)21-12-5-4-6-13(10-12)23(24)25/h3-7,9-10H,1,8H2,2H3,(H,19,20)(H,18,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
7.10E+3 -7.14n/an/an/an/an/an/a30



Cyclacel Limited



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...


J Med Chem 47: 1662-75 (2004)


Article DOI: 10.1021/jm0309957
BindingDB Entry DOI: 10.7270/Q2H993DD
More data for this
Ligand-Target Pair