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SMILES: ClC1=C(NCc2cn(Cc3ccccc3C#N)nn2)C(=O)c2ncccc2C1=O

InChI Key: InChIKey=CTGWNRFIOQUHLP-UHFFFAOYSA-N

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 3 hits for monomerid = 50504276   
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
M-phase inducer phosphatase 3


(Homo sapiens (Human))
BDBM50504276
PNG
(CHEMBL4466461)
Show SMILES ClC1=C(NCc2cn(Cc3ccccc3C#N)nn2)C(=O)c2ncccc2C1=O |c:1|
Show InChI InChI=1S/C20H13ClN6O2/c21-16-18(20(29)17-15(19(16)28)6-3-7-23-17)24-9-14-11-27(26-25-14)10-13-5-2-1-4-12(13)8-22/h1-7,11,24H,9-10H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 420n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Cdc25C using OMFP as substrate preincubated for 5 to 8 mins and measured every 5 mins 60 mins by fluorescence based a...


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111696
BindingDB Entry DOI: 10.7270/Q21R6TS1
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))
BDBM50504276
PNG
(CHEMBL4466461)
Show SMILES ClC1=C(NCc2cn(Cc3ccccc3C#N)nn2)C(=O)c2ncccc2C1=O |c:1|
Show InChI InChI=1S/C20H13ClN6O2/c21-16-18(20(29)17-15(19(16)28)6-3-7-23-17)24-9-14-11-27(26-25-14)10-13-5-2-1-4-12(13)8-22/h1-7,11,24H,9-10H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.79E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Cdc25B using OMFP as substrate preincubated for 5 to 8 mins and measured every 5 mins 60 mins by fluorescence based a...


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111696
BindingDB Entry DOI: 10.7270/Q21R6TS1
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 1


(Homo sapiens (Human))
BDBM50504276
PNG
(CHEMBL4466461)
Show SMILES ClC1=C(NCc2cn(Cc3ccccc3C#N)nn2)C(=O)c2ncccc2C1=O |c:1|
Show InChI InChI=1S/C20H13ClN6O2/c21-16-18(20(29)17-15(19(16)28)6-3-7-23-17)24-9-14-11-27(26-25-14)10-13-5-2-1-4-12(13)8-22/h1-7,11,24H,9-10H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Cdc25A using OMFP as substrate preincubated for 5 to 8 mins and measured every 5 mins 60 mins by fluorescence based a...


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111696
BindingDB Entry DOI: 10.7270/Q21R6TS1
More data for this
Ligand-Target Pair