BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 12 hits from Cyclacel Ltd   
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 2 (CDK2)


(Homo sapiens (human))
BDBM8061
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 32 | 4...)
Show SMILES Cc1nc(N)sc1-c1ccnc(Nc2cccc(c2)N(=O)=O)n1
Show InChI InChI=1S/C14H12N6O2S/c1-8-12(23-13(15)17-8)11-5-6-16-14(19-11)18-9-3-2-4-10(7-9)20(21)22/h2-7H,1H3,(H2,15,17)(H,16,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
UniChem

Patents


Similars

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



Cyclacel Ltd



Assay Description
In vitro inhibition assay using human recombinant CDK2 and human recombinant cyclin A2.


Chem Biol 13: 201-11 (2006)


Article DOI: 10.1016/j.chembiol.2005.11.011
BindingDB Entry DOI: 10.7270/Q2542M16
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM8061
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 32 | 4...)
Show SMILES Cc1nc(N)sc1-c1ccnc(Nc2cccc(c2)N(=O)=O)n1
Show InChI InChI=1S/C14H12N6O2S/c1-8-12(23-13(15)17-8)11-5-6-16-14(19-11)18-9-3-2-4-10(7-9)20(21)22/h2-7H,1H3,(H2,15,17)(H,16,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
UniChem

Patents


Similars

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



Cyclacel Ltd



Assay Description
In vitro inhibition assay using human recombinant CDK2 and human recombinant cyclin A2.


Chem Biol 13: 201-11 (2006)


Article DOI: 10.1016/j.chembiol.2005.11.011
BindingDB Entry DOI: 10.7270/Q2542M16
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM8066
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 37 | 4...)
Show SMILES CN(C)c1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1
Show InChI InChI=1S/C17H19N5S/c1-11-16(23-12(2)19-11)15-9-10-18-17(21-15)20-13-5-7-14(8-6-13)22(3)4/h5-10H,1-4H3,(H,18,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
PDB
Article
PubMed
n/an/a 220n/an/an/an/an/an/a



Cyclacel Ltd



Assay Description
In vitro inhibition assay using human recombinant CDK2 and human recombinant cyclin A2.


Chem Biol 13: 201-11 (2006)


Article DOI: 10.1016/j.chembiol.2005.11.011
BindingDB Entry DOI: 10.7270/Q2542M16
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM8066
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 37 | 4...)
Show SMILES CN(C)c1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1
Show InChI InChI=1S/C17H19N5S/c1-11-16(23-12(2)19-11)15-9-10-18-17(21-15)20-13-5-7-14(8-6-13)22(3)4/h5-10H,1-4H3,(H,18,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 220n/an/an/an/an/an/a



Cyclacel Ltd



Assay Description
In vitro inhibition assay using human recombinant CDK2 and human recombinant cyclin A2.


Chem Biol 13: 201-11 (2006)


Article DOI: 10.1016/j.chembiol.2005.11.011
BindingDB Entry DOI: 10.7270/Q2542M16
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM59236
PNG
(N-(3-nitrophenyl)-4-[3-(1H-1,2,4-triazol-1-ylmethy...)
Show SMILES O=N(=O)c1cccc(Nc2nccc(n2)-c2cccc(Cn3cncn3)c2)c1
Show InChI InChI=1S/C19H15N7O2/c27-26(28)17-6-2-5-16(10-17)23-19-21-8-7-18(24-19)15-4-1-3-14(9-15)11-25-13-20-12-22-25/h1-10,12-13H,11H2,(H,21,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 250n/an/an/an/an/an/a



Cyclacel Ltd



Assay Description
In vitro inhibition assay using human recombinant CDK2 and human recombinant cyclin A2.


Chem Biol 13: 201-11 (2006)


Article DOI: 10.1016/j.chembiol.2005.11.011
BindingDB Entry DOI: 10.7270/Q2542M16
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM59236
PNG
(N-(3-nitrophenyl)-4-[3-(1H-1,2,4-triazol-1-ylmethy...)
Show SMILES O=N(=O)c1cccc(Nc2nccc(n2)-c2cccc(Cn3cncn3)c2)c1
Show InChI InChI=1S/C19H15N7O2/c27-26(28)17-6-2-5-16(10-17)23-19-21-8-7-18(24-19)15-4-1-3-14(9-15)11-25-13-20-12-22-25/h1-10,12-13H,11H2,(H,21,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 250n/an/an/an/an/an/a



Cyclacel Ltd



Assay Description
In vitro inhibition assay using human recombinant CDK2 and human recombinant cyclin A2.


Chem Biol 13: 201-11 (2006)


Article DOI: 10.1016/j.chembiol.2005.11.011
BindingDB Entry DOI: 10.7270/Q2542M16
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM8049
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 20 | 4...)
Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)C(F)(F)F)n1
Show InChI InChI=1S/C16H13F3N4S/c1-9-14(24-10(2)21-9)13-7-8-20-15(23-13)22-12-5-3-11(4-6-12)16(17,18)19/h3-8H,1-2H3,(H,20,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
PDB
Article
PubMed
n/an/a 290n/an/an/an/an/an/a



Cyclacel Ltd



Assay Description
In vitro inhibition assay using human recombinant CDK2 and human recombinant cyclin A2.


Chem Biol 13: 201-11 (2006)


Article DOI: 10.1016/j.chembiol.2005.11.011
BindingDB Entry DOI: 10.7270/Q2542M16
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM8049
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 20 | 4...)
Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)C(F)(F)F)n1
Show InChI InChI=1S/C16H13F3N4S/c1-9-14(24-10(2)21-9)13-7-8-20-15(23-13)22-12-5-3-11(4-6-12)16(17,18)19/h3-8H,1-2H3,(H,20,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 290n/an/an/an/an/an/a



Cyclacel Ltd



Assay Description
In vitro inhibition assay using human recombinant CDK2 and human recombinant cyclin A2.


Chem Biol 13: 201-11 (2006)


Article DOI: 10.1016/j.chembiol.2005.11.011
BindingDB Entry DOI: 10.7270/Q2542M16
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM50277583
PNG
(2-amino-4-methyl-1,3-thiazol-5-yl)-N-[4-(morpholin...)
Show SMILES Cc1nc(N)sc1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C18H20N6OS/c1-12-16(26-17(19)21-12)15-6-7-20-18(23-15)22-13-2-4-14(5-3-13)24-8-10-25-11-9-24/h2-7H,8-11H2,1H3,(H2,19,21)(H,20,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 740n/an/an/an/an/an/a



Cyclacel Ltd



Assay Description
In vitro inhibition assay using human recombinant CDK2 and human recombinant cyclin A2.


Chem Biol 13: 201-11 (2006)


Article DOI: 10.1016/j.chembiol.2005.11.011
BindingDB Entry DOI: 10.7270/Q2542M16
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM50277583
PNG
(2-amino-4-methyl-1,3-thiazol-5-yl)-N-[4-(morpholin...)
Show SMILES Cc1nc(N)sc1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C18H20N6OS/c1-12-16(26-17(19)21-12)15-6-7-20-18(23-15)22-13-2-4-14(5-3-13)24-8-10-25-11-9-24/h2-7H,8-11H2,1H3,(H2,19,21)(H,20,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 740n/an/an/an/an/an/a



Cyclacel Ltd



Assay Description
In vitro inhibition assay using human recombinant CDK2 and human recombinant cyclin A2.


Chem Biol 13: 201-11 (2006)


Article DOI: 10.1016/j.chembiol.2005.11.011
BindingDB Entry DOI: 10.7270/Q2542M16
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM8037
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 8 | 4-...)
Show SMILES Cc1nc(C)c(s1)-c1ccnc(N)n1
Show InChI InChI=1S/C9H10N4S/c1-5-8(14-6(2)12-5)7-3-4-11-9(10)13-7/h3-4H,1-2H3,(H2,10,11,13)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
PDB
Article
PubMed
n/an/a 6.50E+3n/an/an/an/an/an/a



Cyclacel Ltd



Assay Description
In vitro inhibition assay using human recombinant CDK2 and human recombinant cyclin A2.


Chem Biol 13: 201-11 (2006)


Article DOI: 10.1016/j.chembiol.2005.11.011
BindingDB Entry DOI: 10.7270/Q2542M16
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM8037
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 8 | 4-...)
Show SMILES Cc1nc(C)c(s1)-c1ccnc(N)n1
Show InChI InChI=1S/C9H10N4S/c1-5-8(14-6(2)12-5)7-3-4-11-9(10)13-7/h3-4H,1-2H3,(H2,10,11,13)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 6.50E+3n/an/an/an/an/an/a



Cyclacel Ltd



Assay Description
In vitro inhibition assay using human recombinant CDK2 and human recombinant cyclin A2.


Chem Biol 13: 201-11 (2006)


Article DOI: 10.1016/j.chembiol.2005.11.011
BindingDB Entry DOI: 10.7270/Q2542M16
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)