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BDBM50319627 1-(4-(4-(4-(2,4-Dimethylthiazol-5-yl)pyrimidin-2-ylamino)phenyl)piperazin-1-yl)ethanone::CHEMBL1083786

SMILES: CC(=O)N1CCN(CC1)c1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1

InChI Key: InChIKey=WMIWANZLOJYLPU-UHFFFAOYSA-N

Data: 7 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50319627   
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
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)
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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))
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)
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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
Cyclin-dependent kinase 2


(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)
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432n/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 4


(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)
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929n/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 9


(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)
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1.15E+3n/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
Cyclin-dependent kinase 1


(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)
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PubMed
1.89E+3n/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
CDK7/Cyclin H/MNAT1


(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)
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Article
PubMed
2.80E+3n/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