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BDBM24626 6-chloropyrazin-2-amine::6-chloropyrazin-2-amine, 5::CHEMBL191632

SMILES: Nc1cncc(Cl)n1

InChI Key: InChIKey=JTPXVCKCLBROOJ-UHFFFAOYSA-N

Data: 1 IC50  1 Other

PDB links: 1 PDB ID matches this monomer.

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 = 24626   
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 2


(Homo sapiens (human))
BDBM24626
PNG
(6-chloropyrazin-2-amine | 6-chloropyrazin-2-amine,...)
Show SMILES Nc1cncc(Cl)n1
Show InChI InChI=1S/C4H4ClN3/c5-3-1-7-2-4(6)8-3/h1-2H,(H2,6,8)
PDB
MMDB

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UniProtKB/SwissProt

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CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
n/an/a 3.50E+5n/an/an/an/an/an/a



Astex Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CDK2


J Med Chem 51: 3661-80 (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM24626
PNG
(6-chloropyrazin-2-amine | 6-chloropyrazin-2-amine,...)
Show SMILES Nc1cncc(Cl)n1
Show InChI InChI=1S/C4H4ClN3/c5-3-1-7-2-4(6)8-3/h1-2H,(H2,6,8)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

DrugBank
PDB
Article
PubMed
n/an/an/an/an/an/an/a7.222



Astex



Assay Description
CDK2/cyclin A activity was determined using a radiometric assay to measure the incorporation of gamma-phosphate from [gamma-33P]-ATP into histone H1....


J Med Chem 51: 4986-99 (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)