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BDBM81437 CDK Inhibitor, 10

SMILES: Cc1nc(N)sc1-c1ccnc(Nc2ccc(C)c(c2)S(=O)(=O)N2CCOCC2)n1

InChI Key: InChIKey=OQWUAZIPUCLTLQ-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 81437   
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))
BDBM81437
PNG
(CDK Inhibitor, 10)
Show SMILES Cc1nc(N)sc1-c1ccnc(Nc2ccc(C)c(c2)S(=O)(=O)N2CCOCC2)n1
Show InChI InChI=1S/C19H22N6O3S2/c1-12-3-4-14(11-16(12)30(26,27)25-7-9-28-10-8-25)23-19-21-6-5-15(24-19)17-13(2)22-18(20)29-17/h3-6,11H,7-10H2,1-2H3,(H2,20,22)(H,21,23,24)
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PubMed
8.5n/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 7


(Homo sapiens (Human))
BDBM81437
PNG
(CDK Inhibitor, 10)
Show SMILES Cc1nc(N)sc1-c1ccnc(Nc2ccc(C)c(c2)S(=O)(=O)N2CCOCC2)n1
Show InChI InChI=1S/C19H22N6O3S2/c1-12-3-4-14(11-16(12)30(26,27)25-7-9-28-10-8-25)23-19-21-6-5-15(24-19)17-13(2)22-18(20)29-17/h3-6,11H,7-10H2,1-2H3,(H2,20,22)(H,21,23,24)
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Article
PubMed
304n/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))
BDBM81437
PNG
(CDK Inhibitor, 10)
Show SMILES Cc1nc(N)sc1-c1ccnc(Nc2ccc(C)c(c2)S(=O)(=O)N2CCOCC2)n1
Show InChI InChI=1S/C19H22N6O3S2/c1-12-3-4-14(11-16(12)30(26,27)25-7-9-28-10-8-25)23-19-21-6-5-15(24-19)17-13(2)22-18(20)29-17/h3-6,11H,7-10H2,1-2H3,(H2,20,22)(H,21,23,24)
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Article
PubMed
>500n/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))
BDBM81437
PNG
(CDK Inhibitor, 10)
Show SMILES Cc1nc(N)sc1-c1ccnc(Nc2ccc(C)c(c2)S(=O)(=O)N2CCOCC2)n1
Show InChI InChI=1S/C19H22N6O3S2/c1-12-3-4-14(11-16(12)30(26,27)25-7-9-28-10-8-25)23-19-21-6-5-15(24-19)17-13(2)22-18(20)29-17/h3-6,11H,7-10H2,1-2H3,(H2,20,22)(H,21,23,24)
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PubMed
>500n/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))
BDBM81437
PNG
(CDK Inhibitor, 10)
Show SMILES Cc1nc(N)sc1-c1ccnc(Nc2ccc(C)c(c2)S(=O)(=O)N2CCOCC2)n1
Show InChI InChI=1S/C19H22N6O3S2/c1-12-3-4-14(11-16(12)30(26,27)25-7-9-28-10-8-25)23-19-21-6-5-15(24-19)17-13(2)22-18(20)29-17/h3-6,11H,7-10H2,1-2H3,(H2,20,22)(H,21,23,24)
PDB
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NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>500n/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