BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 127 hits Enz. Inhib. hit(s) with all data for entry = 50031804   
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
Aurora kinase A


(Homo sapiens (human))
BDBM50319623
PNG
(4-(2,4-Dimethylthiazol-5-yl)-N-(3,4,5-trimethoxyph...)
Show SMILES COc1cc(Nc2nccc(n2)-c2sc(C)nc2C)cc(OC)c1OC
Show InChI InChI=1S/C18H20N4O3S/c1-10-17(26-11(2)20-10)13-6-7-19-18(22-13)21-12-8-14(23-3)16(25-5)15(9-12)24-4/h6-9H,1-5H3,(H,19,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
0.400n/an/an/an/an/an/an/an/a



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A after 30 mins


J Med Chem 53: 4367-78 (2010)


Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50319622
PNG
(CHEMBL1083152 | N,4-Dimethyl-5-(2-(3,4,5-trimethox...)
Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2cc(OC)c(OC)c(OC)c2)n1
Show InChI InChI=1S/C18H21N5O3S/c1-10-16(27-18(19-2)21-10)12-6-7-20-17(23-12)22-11-8-13(24-3)15(26-5)14(9-11)25-4/h6-9H,1-5H3,(H,19,21)(H,20,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
1n/an/an/an/an/an/an/an/a



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A after 30 mins


J Med Chem 53: 4367-78 (2010)


Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM50229973
PNG
((4-(2-Amino-4-methylthiazol-5-yl)pyrimidin-2-yl)-(...)
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 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

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



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CDK2


J Med Chem 53: 4367-78 (2010)


Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aurora kinase B


(Homo sapiens (Human))
BDBM50319623
PNG
(4-(2,4-Dimethylthiazol-5-yl)-N-(3,4,5-trimethoxyph...)
Show SMILES COc1cc(Nc2nccc(n2)-c2sc(C)nc2C)cc(OC)c1OC
Show InChI InChI=1S/C18H20N4O3S/c1-10-17(26-11(2)20-10)13-6-7-19-18(22-13)21-12-8-14(23-3)16(25-5)15(9-12)24-4/h6-9H,1-5H3,(H,19,21,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora B after 60 mins


J Med Chem 53: 4367-78 (2010)


Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50319621
PNG
(CHEMBL1086088 | N-Ethyl-4-methyl-5-(2-(3,4,5-trime...)
Show SMILES CCNc1nc(C)c(s1)-c1ccnc(Nc2cc(OC)c(OC)c(OC)c2)n1
Show InChI InChI=1S/C19H23N5O3S/c1-6-20-19-22-11(2)17(28-19)13-7-8-21-18(24-13)23-12-9-14(25-3)16(27-5)15(10-12)26-4/h7-10H,6H2,1-5H3,(H,20,22)(H,21,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
3n/an/an/an/an/an/an/an/a



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A after 30 mins


J Med Chem 53: 4367-78 (2010)


Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50319622
PNG
(CHEMBL1083152 | N,4-Dimethyl-5-(2-(3,4,5-trimethox...)
Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2cc(OC)c(OC)c(OC)c2)n1
Show InChI InChI=1S/C18H21N5O3S/c1-10-16(27-18(19-2)21-10)12-6-7-20-17(23-12)22-11-8-13(24-3)15(26-5)14(9-11)25-4/h6-9H,1-5H3,(H,19,21)(H,20,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
3n/an/an/an/an/an/an/an/a



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora B after 60 mins


J Med Chem 53: 4367-78 (2010)


Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50319616
PNG
(1-(4-(4-(4-(2-Amino-4-methylthiazol-5-yl)pyrimidin...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(Nc2nccc(n2)-c2sc(N)nc2C)cc1
Show InChI InChI=1S/C20H23N7OS/c1-13-18(29-19(21)23-13)17-7-8-22-20(25-17)24-15-3-5-16(6-4-15)27-11-9-26(10-12-27)14(2)28/h3-8H,9-12H2,1-2H3,(H2,21,23)(H,22,24,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
3.80n/an/an/an/an/an/an/an/a



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora B after 60 mins


J Med Chem 53: 4367-78 (2010)


Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM50229973
PNG
((4-(2-Amino-4-methylthiazol-5-yl)pyrimidin-2-yl)-(...)
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

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

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



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CDK9


J Med Chem 53: 4367-78 (2010)


Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50319619
PNG
(4-(2,4-Dimethylthiazol-5-yl)-N-(4-morpholinophenyl...)
Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C19H21N5OS/c1-13-18(26-14(2)21-13)17-7-8-20-19(23-17)22-15-3-5-16(6-4-15)24-9-11-25-12-10-24/h3-8H,9-12H2,1-2H3,(H,20,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

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



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A after 30 mins


J Med Chem 53: 4367-78 (2010)


Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50319620
PNG
(CHEMBL1084715 | N-(4-(4-(2-(Ethylamino)-4-methylth...)
Show SMILES CCNc1nc(C)c(s1)-c1ccnc(Nc2ccc(CNC(C)=O)cc2)n1
Show InChI InChI=1S/C19H22N6OS/c1-4-20-19-23-12(2)17(27-19)16-9-10-21-18(25-16)24-15-7-5-14(6-8-15)11-22-13(3)26/h5-10H,4,11H2,1-3H3,(H,20,23)(H,22,26)(H,21,24,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora B after 60 mins


J Med Chem 53: 4367-78 (2010)


Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50319620
PNG
(CHEMBL1084715 | N-(4-(4-(2-(Ethylamino)-4-methylth...)
Show SMILES CCNc1nc(C)c(s1)-c1ccnc(Nc2ccc(CNC(C)=O)cc2)n1
Show InChI InChI=1S/C19H22N6OS/c1-4-20-19-23-12(2)17(27-19)16-9-10-21-18(25-16)24-15-7-5-14(6-8-15)11-22-13(3)26/h5-10H,4,11H2,1-3H3,(H,20,23)(H,22,26)(H,21,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

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



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A after 30 mins


J Med Chem 53: 4367-78 (2010)


Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50319617
PNG
(CHEMBL1084630 | N-Ethyl-4-methyl-5-(2-(4-morpholin...)
Show SMILES CCNc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C20H24N6OS/c1-3-21-20-23-14(2)18(28-20)17-8-9-22-19(25-17)24-15-4-6-16(7-5-15)26-10-12-27-13-11-26/h4-9H,3,10-13H2,1-2H3,(H,21,23)(H,22,24,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora B after 60 mins


J Med Chem 53: 4367-78 (2010)


Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50319621
PNG
(CHEMBL1086088 | N-Ethyl-4-methyl-5-(2-(3,4,5-trime...)
Show SMILES CCNc1nc(C)c(s1)-c1ccnc(Nc2cc(OC)c(OC)c(OC)c2)n1
Show InChI InChI=1S/C19H23N5O3S/c1-6-20-19-22-11(2)17(28-19)13-7-8-21-18(24-13)23-12-9-14(25-3)16(27-5)15(10-12)26-4/h7-10H,6H2,1-5H3,(H,20,22)(H,21,23,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora B after 60 mins


J Med Chem 53: 4367-78 (2010)


Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM50319622
PNG
(CHEMBL1083152 | N,4-Dimethyl-5-(2-(3,4,5-trimethox...)
Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2cc(OC)c(OC)c(OC)c2)n1
Show InChI InChI=1S/C18H21N5O3S/c1-10-16(27-18(19-2)21-10)12-6-7-20-17(23-12)22-11-8-13(24-3)15(26-5)14(9-11)25-4/h6-9H,1-5H3,(H,19,21)(H,20,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

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



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CDK9


J Med Chem 53: 4367-78 (2010)


Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D
More data for this
Ligand-Target Pair
Aurora kinase A


(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

Article
PubMed
6.90n/an/an/an/an/an/an/an/a



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A after 30 mins


J Med Chem 53: 4367-78 (2010)


Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50319616
PNG
(1-(4-(4-(4-(2-Amino-4-methylthiazol-5-yl)pyrimidin...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(Nc2nccc(n2)-c2sc(N)nc2C)cc1
Show InChI InChI=1S/C20H23N7OS/c1-13-18(29-19(21)23-13)17-7-8-22-20(25-17)24-15-3-5-16(6-4-15)27-11-9-26(10-12-27)14(2)28/h3-8H,9-12H2,1-2H3,(H2,21,23)(H,22,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
7.60n/an/an/an/an/an/an/an/a



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A after 30 mins


J Med Chem 53: 4367-78 (2010)


Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D
More data for this
Ligand-Target Pair
Aurora kinase A


(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
8n/an/an/an/an/an/an/an/a



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A after 30 mins


J Med Chem 53: 4367-78 (2010)


Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50319627
PNG
(1-(4-(4-(4-(2,4-Dimethylthiazol-5-yl)pyrimidin-2-y...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1
Show InChI InChI=1S/C21H24N6OS/c1-14-20(29-15(2)23-14)19-8-9-22-21(25-19)24-17-4-6-18(7-5-17)27-12-10-26(11-13-27)16(3)28/h4-9H,10-13H2,1-3H3,(H,22,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
8.20n/an/an/an/an/an/an/an/a



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A after 30 mins


J Med Chem 53: 4367-78 (2010)


Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50319619
PNG
(4-(2,4-Dimethylthiazol-5-yl)-N-(4-morpholinophenyl...)
Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C19H21N5OS/c1-13-18(26-14(2)21-13)17-7-8-20-19(23-17)22-15-3-5-16(6-4-15)24-9-11-25-12-10-24/h3-8H,9-12H2,1-2H3,(H,20,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
9n/an/an/an/an/an/an/an/a



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora B after 60 mins


J Med Chem 53: 4367-78 (2010)


Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM50319620
PNG
(CHEMBL1084715 | N-(4-(4-(2-(Ethylamino)-4-methylth...)
Show SMILES CCNc1nc(C)c(s1)-c1ccnc(Nc2ccc(CNC(C)=O)cc2)n1
Show InChI InChI=1S/C19H22N6OS/c1-4-20-19-23-12(2)17(27-19)16-9-10-21-18(25-16)24-15-7-5-14(6-8-15)11-22-13(3)26/h5-10H,4,11H2,1-3H3,(H,20,23)(H,22,26)(H,21,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
9n/an/an/an/an/an/an/an/a



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CDK9


J Med Chem 53: 4367-78 (2010)


Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D
More data for this
Ligand-Target Pair
Aurora kinase B


(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

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
9.20n/an/an/an/an/an/an/an/a



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora B after 60 mins


J Med Chem 53: 4367-78 (2010)


Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50319626
PNG
(4-(2,4-Dimethylthiazol-5-yl)-N-(4-(4-(methylsulfon...)
Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCN(CC2)S(C)(=O)=O)n1
Show InChI InChI=1S/C20H24N6O2S2/c1-14-19(29-15(2)22-14)18-8-9-21-20(24-18)23-16-4-6-17(7-5-16)25-10-12-26(13-11-25)30(3,27)28/h4-9H,10-13H2,1-3H3,(H,21,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
9.20n/an/an/an/an/an/an/an/a



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A after 30 mins


J Med Chem 53: 4367-78 (2010)


Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50319618
PNG
(CHEMBL1084629 | N,4-Dimethyl-5-(2-(4-morpholinophe...)
Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C19H22N6OS/c1-13-17(27-19(20-2)22-13)16-7-8-21-18(24-16)23-14-3-5-15(6-4-14)25-9-11-26-12-10-25/h3-8H,9-12H2,1-2H3,(H,20,22)(H,21,23,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
9.40n/an/an/an/an/an/an/an/a



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora B after 60 mins


J Med Chem 53: 4367-78 (2010)


Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50319615
PNG
(1-(4-(4-(4-(4-Methyl-2-(methylamino)thiazol-5-yl)p...)
Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCN(CC2)C(C)=O)n1
Show InChI InChI=1S/C21H25N7OS/c1-14-19(30-21(22-3)24-14)18-8-9-23-20(26-18)25-16-4-6-17(7-5-16)28-12-10-27(11-13-28)15(2)29/h4-9H,10-13H2,1-3H3,(H,22,24)(H,23,25,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
9.70n/an/an/an/an/an/an/an/a



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora B after 60 mins


J Med Chem 53: 4367-78 (2010)


Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM50319623
PNG
(4-(2,4-Dimethylthiazol-5-yl)-N-(3,4,5-trimethoxyph...)
Show SMILES COc1cc(Nc2nccc(n2)-c2sc(C)nc2C)cc(OC)c1OC
Show InChI InChI=1S/C18H20N4O3S/c1-10-17(26-11(2)20-10)13-6-7-19-18(22-13)21-12-8-14(23-3)16(25-5)15(9-12)24-4/h6-9H,1-5H3,(H,19,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

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



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CDK9


J Med Chem 53: 4367-78 (2010)


Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50319615
PNG
(1-(4-(4-(4-(4-Methyl-2-(methylamino)thiazol-5-yl)p...)
Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCN(CC2)C(C)=O)n1
Show InChI InChI=1S/C21H25N7OS/c1-14-19(30-21(22-3)24-14)18-8-9-23-20(26-18)25-16-4-6-17(7-5-16)28-12-10-27(11-13-28)15(2)29/h4-9H,10-13H2,1-3H3,(H,22,24)(H,23,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
12n/an/an/an/an/an/an/an/a



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A after 30 mins


J Med Chem 53: 4367-78 (2010)


Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50319627
PNG
(1-(4-(4-(4-(2,4-Dimethylthiazol-5-yl)pyrimidin-2-y...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1
Show InChI InChI=1S/C21H24N6OS/c1-14-20(29-15(2)23-14)19-8-9-22-21(25-19)24-17-4-6-18(7-5-17)27-12-10-26(11-13-27)16(3)28/h4-9H,10-13H2,1-3H3,(H,22,24,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
13n/an/an/an/an/an/an/an/a



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora B after 60 mins


J Med Chem 53: 4367-78 (2010)


Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50319617
PNG
(CHEMBL1084630 | N-Ethyl-4-methyl-5-(2-(4-morpholin...)
Show SMILES CCNc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C20H24N6OS/c1-3-21-20-23-14(2)18(28-20)17-8-9-22-19(25-17)24-15-4-6-16(7-5-15)26-10-12-27-13-11-26/h4-9H,3,10-13H2,1-2H3,(H,21,23)(H,22,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
14n/an/an/an/an/an/an/an/a



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A after 30 mins


J Med Chem 53: 4367-78 (2010)


Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D
More data for this
Ligand-Target Pair
Aurora kinase B


(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

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
15n/an/an/an/an/an/an/an/a



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora B after 60 mins


J Med Chem 53: 4367-78 (2010)


Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50319625
PNG
(CHEMBL1083150 | N1-(4-(2,4-Dimethylthiazol-5-yl)py...)
Show SMILES CNc1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1
Show InChI InChI=1S/C16H17N5S/c1-10-15(22-11(2)19-10)14-8-9-18-16(21-14)20-13-6-4-12(17-3)5-7-13/h4-9,17H,1-3H3,(H,18,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

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



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A after 30 mins


J Med Chem 53: 4367-78 (2010)


Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50319626
PNG
(4-(2,4-Dimethylthiazol-5-yl)-N-(4-(4-(methylsulfon...)
Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCN(CC2)S(C)(=O)=O)n1
Show InChI InChI=1S/C20H24N6O2S2/c1-14-19(29-15(2)22-14)18-8-9-21-20(24-18)23-16-4-6-17(7-5-16)25-10-12-26(13-11-25)30(3,27)28/h4-9H,10-13H2,1-3H3,(H,21,23,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora B after 60 mins


J Med Chem 53: 4367-78 (2010)


Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50319618
PNG
(CHEMBL1084629 | N,4-Dimethyl-5-(2-(4-morpholinophe...)
Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C19H22N6OS/c1-13-17(27-19(20-2)22-13)16-7-8-21-18(24-16)23-14-3-5-15(6-4-14)25-9-11-26-12-10-25/h3-8H,9-12H2,1-2H3,(H,20,22)(H,21,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

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



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A after 30 mins


J Med Chem 53: 4367-78 (2010)


Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM50319615
PNG
(1-(4-(4-(4-(4-Methyl-2-(methylamino)thiazol-5-yl)p...)
Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCN(CC2)C(C)=O)n1
Show InChI InChI=1S/C21H25N7OS/c1-14-19(30-21(22-3)24-14)18-8-9-23-20(26-18)25-16-4-6-17(7-5-16)28-12-10-27(11-13-28)15(2)29/h4-9H,10-13H2,1-3H3,(H,22,24)(H,23,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
22n/an/an/an/an/an/an/an/a



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CDK4


J Med Chem 53: 4367-78 (2010)


Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50319624
PNG
(Aminopyrimidine, 4 | CHEMBL1084454 | N1-(4-(2,4-Di...)
Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(N)cc2)n1
Show InChI InChI=1S/C15H15N5S/c1-9-14(21-10(2)18-9)13-7-8-17-15(20-13)19-12-5-3-11(16)4-6-12/h3-8H,16H2,1-2H3,(H,17,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
31n/an/an/an/an/an/an/an/a



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A after 30 mins


J Med Chem 53: 4367-78 (2010)


Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM50319620
PNG
(CHEMBL1084715 | N-(4-(4-(2-(Ethylamino)-4-methylth...)
Show SMILES CCNc1nc(C)c(s1)-c1ccnc(Nc2ccc(CNC(C)=O)cc2)n1
Show InChI InChI=1S/C19H22N6OS/c1-4-20-19-23-12(2)17(27-19)16-9-10-21-18(25-16)24-15-7-5-14(6-8-15)11-22-13(3)26/h5-10H,4,11H2,1-3H3,(H,20,23)(H,22,26)(H,21,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
32n/an/an/an/an/an/an/an/a



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CDK2


J Med Chem 53: 4367-78 (2010)


Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50319625
PNG
(CHEMBL1083150 | N1-(4-(2,4-Dimethylthiazol-5-yl)py...)
Show SMILES CNc1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1
Show InChI InChI=1S/C16H17N5S/c1-10-15(22-11(2)19-10)14-8-9-18-16(21-14)20-13-6-4-12(17-3)5-7-13/h4-9,17H,1-3H3,(H,18,20,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora B after 60 mins


J Med Chem 53: 4367-78 (2010)


Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM50319620
PNG
(CHEMBL1084715 | N-(4-(4-(2-(Ethylamino)-4-methylth...)
Show SMILES CCNc1nc(C)c(s1)-c1ccnc(Nc2ccc(CNC(C)=O)cc2)n1
Show InChI InChI=1S/C19H22N6OS/c1-4-20-19-23-12(2)17(27-19)16-9-10-21-18(25-16)24-15-7-5-14(6-8-15)11-22-13(3)26/h5-10H,4,11H2,1-3H3,(H,20,23)(H,22,26)(H,21,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
38n/an/an/an/an/an/an/an/a



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CDK4


J Med Chem 53: 4367-78 (2010)


Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(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

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
44n/an/an/an/an/an/an/an/a



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of FLT3


J Med Chem 53: 4367-78 (2010)


Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 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
44n/an/an/an/an/an/an/an/a



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


J Med Chem 53: 4367-78 (2010)


Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM50229973
PNG
((4-(2-Amino-4-methylthiazol-5-yl)pyrimidin-2-yl)-(...)
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 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
53n/an/an/an/an/an/an/an/a



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CDK4


J Med Chem 53: 4367-78 (2010)


Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50229973
PNG
((4-(2-Amino-4-methylthiazol-5-yl)pyrimidin-2-yl)-(...)
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

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
57n/an/an/an/an/an/an/an/a



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora B after 60 mins


J Med Chem 53: 4367-78 (2010)


Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D
More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (human))
BDBM50229973
PNG
((4-(2-Amino-4-methylthiazol-5-yl)pyrimidin-2-yl)-(...)
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 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
70n/an/an/an/an/an/an/an/a



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CDK7


J Med Chem 53: 4367-78 (2010)


Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50229973
PNG
((4-(2-Amino-4-methylthiazol-5-yl)pyrimidin-2-yl)-(...)
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 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
73n/an/an/an/an/an/an/an/a



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A after 30 mins


J Med Chem 53: 4367-78 (2010)


Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM50229973
PNG
((4-(2-Amino-4-methylthiazol-5-yl)pyrimidin-2-yl)-(...)
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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
80n/an/an/an/an/an/an/an/a



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CDK1


J Med Chem 53: 4367-78 (2010)


Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM50319617
PNG
(CHEMBL1084630 | N-Ethyl-4-methyl-5-(2-(4-morpholin...)
Show SMILES CCNc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C20H24N6OS/c1-3-21-20-23-14(2)18(28-20)17-8-9-22-19(25-17)24-15-4-6-16(7-5-15)26-10-12-27-13-11-26/h4-9H,3,10-13H2,1-2H3,(H,21,23)(H,22,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
151n/an/an/an/an/an/an/an/a



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CDK2


J Med Chem 53: 4367-78 (2010)


Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM50319618
PNG
(CHEMBL1084629 | N,4-Dimethyl-5-(2-(4-morpholinophe...)
Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C19H22N6OS/c1-13-17(27-19(20-2)22-13)16-7-8-21-18(24-16)23-14-3-5-15(6-4-14)25-9-11-26-12-10-25/h3-8H,9-12H2,1-2H3,(H,20,22)(H,21,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
156n/an/an/an/an/an/an/an/a



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CDK2


J Med Chem 53: 4367-78 (2010)


Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM50319624
PNG
(Aminopyrimidine, 4 | CHEMBL1084454 | N1-(4-(2,4-Di...)
Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(N)cc2)n1
Show InChI InChI=1S/C15H15N5S/c1-9-14(21-10(2)18-9)13-7-8-17-15(20-13)19-12-5-3-11(16)4-6-12/h3-8H,16H2,1-2H3,(H,17,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
168n/an/an/an/an/an/an/an/a



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CDK2


J Med Chem 53: 4367-78 (2010)


Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D
More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (human))
BDBM50319620
PNG
(CHEMBL1084715 | N-(4-(4-(2-(Ethylamino)-4-methylth...)
Show SMILES CCNc1nc(C)c(s1)-c1ccnc(Nc2ccc(CNC(C)=O)cc2)n1
Show InChI InChI=1S/C19H22N6OS/c1-4-20-19-23-12(2)17(27-19)16-9-10-21-18(25-16)24-15-7-5-14(6-8-15)11-22-13(3)26/h5-10H,4,11H2,1-3H3,(H,20,23)(H,22,26)(H,21,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
171n/an/an/an/an/an/an/an/a



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CDK7


J Med Chem 53: 4367-78 (2010)


Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM50319617
PNG
(CHEMBL1084630 | N-Ethyl-4-methyl-5-(2-(4-morpholin...)
Show SMILES CCNc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C20H24N6OS/c1-3-21-20-23-14(2)18(28-20)17-8-9-22-19(25-17)24-15-4-6-16(7-5-15)26-10-12-27-13-11-26/h4-9H,3,10-13H2,1-2H3,(H,21,23)(H,22,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
196n/an/an/an/an/an/an/an/a



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CDK4


J Med Chem 53: 4367-78 (2010)


Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM50319623
PNG
(4-(2,4-Dimethylthiazol-5-yl)-N-(3,4,5-trimethoxyph...)
Show SMILES COc1cc(Nc2nccc(n2)-c2sc(C)nc2C)cc(OC)c1OC
Show InChI InChI=1S/C18H20N4O3S/c1-10-17(26-11(2)20-10)13-6-7-19-18(22-13)21-12-8-14(23-3)16(25-5)15(9-12)24-4/h6-9H,1-5H3,(H,19,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
239n/an/an/an/an/an/an/an/a



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CDK2


J Med Chem 53: 4367-78 (2010)


Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 127 total )  |  Next  |  Last  >>
Jump to: