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SMILES: OS(=O)(=O)c1ccc2NC(=O)C(c2c1)c1[nH]c2ccccc2c1N=O

InChI Key: InChIKey=ZSNHIQTXGFQNBW-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50375644   
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 1


(Homo sapiens (Human))
BDBM50375644
PNG
(CHEMBL440411)
Show SMILES OS(=O)(=O)c1ccc2NC(=O)C(c2c1)c1[nH]c2ccccc2c1N=O
Show InChI InChI=1S/C16H11N3O5S/c20-16-13(10-7-8(25(22,23)24)5-6-12(10)18-16)15-14(19-21)9-3-1-2-4-11(9)17-15/h1-7,13,17H,(H,18,20)(H,22,23,24)
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PC cid
PC sid
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Article
PubMed
n/an/a 5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of Cdk1


Proc Natl Acad Sci USA 104: 20523-8 (2007)

Checked by Author
Article DOI: 10.1073/pnas.0708800104
BindingDB Entry DOI: 10.7270/Q2DB82RH
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50375644
PNG
(CHEMBL440411)
Show SMILES OS(=O)(=O)c1ccc2NC(=O)C(c2c1)c1[nH]c2ccccc2c1N=O
Show InChI InChI=1S/C16H11N3O5S/c20-16-13(10-7-8(25(22,23)24)5-6-12(10)18-16)15-14(19-21)9-3-1-2-4-11(9)17-15/h1-7,13,17H,(H,18,20)(H,22,23,24)
PDB
MMDB

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PC sid
UniChem

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Article
PubMed
n/an/a 7n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of Cdk5


Proc Natl Acad Sci USA 104: 20523-8 (2007)

Checked by Author
Article DOI: 10.1073/pnas.0708800104
BindingDB Entry DOI: 10.7270/Q2DB82RH
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50375644
PNG
(CHEMBL440411)
Show SMILES OS(=O)(=O)c1ccc2NC(=O)C(c2c1)c1[nH]c2ccccc2c1N=O
Show InChI InChI=1S/C16H11N3O5S/c20-16-13(10-7-8(25(22,23)24)5-6-12(10)18-16)15-14(19-21)9-3-1-2-4-11(9)17-15/h1-7,13,17H,(H,18,20)(H,22,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

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



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Proc Natl Acad Sci USA 104: 20523-8 (2007)

Checked by Author
Article DOI: 10.1073/pnas.0708800104
BindingDB Entry DOI: 10.7270/Q2DB82RH
More data for this
Ligand-Target Pair