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BDBM50202434 GW276655X

SMILES: NS(=O)(=O)c1ccc(N\N=C2/C(=O)Nc3ccc(cc23)-c2cnco2)cc1

InChI Key: InChIKey=HLUXRVXOTIQDHH-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 50202434   
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 (CDK1)


(Homo sapiens (Human))
BDBM50202434
PNG
(GW276655X)
Show SMILES NS(=O)(=O)c1ccc(N\N=C2/C(=O)Nc3ccc(cc23)-c2cnco2)cc1
Show InChI InChI=1S/C17H13N5O4S/c18-27(24,25)12-4-2-11(3-5-12)21-22-16-13-7-10(15-8-19-9-26-15)1-6-14(13)20-17(16)23/h1-9,21H,(H2,18,24,25)(H,20,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human CDK1/cyclinA expressed in Baculovirus infected Sf9 cells using Biotin-aminohexyl-Ala-Arg-Arg-Pro-Met-Ser-Pro-Lys-LysLys-Ala-CONH2...


Eur J Med Chem 122: 366-381 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.034
BindingDB Entry DOI: 10.7270/Q2154K1N
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM50202434
PNG
(GW276655X)
Show SMILES NS(=O)(=O)c1ccc(N\N=C2/C(=O)Nc3ccc(cc23)-c2cnco2)cc1
Show InChI InChI=1S/C17H13N5O4S/c18-27(24,25)12-4-2-11(3-5-12)21-22-16-13-7-10(15-8-19-9-26-15)1-6-14(13)20-17(16)23/h1-9,21H,(H2,18,24,25)(H,20,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 2.30n/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/cyclinA expressed in Baculovirus infected T.ni cells using Biotin-aminohexyl-Ala-Arg-Arg-Pro-Met-Ser-Pro-Lys-LysLys-Ala-CONH...


Eur J Med Chem 122: 366-381 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.034
BindingDB Entry DOI: 10.7270/Q2154K1N
More data for this
Ligand-Target Pair