BindingDB logo
myBDB logout

BDBM24631 4-[(6-chloropyrazin-2-yl)amino]benzene-1-sulfonamide::4-[(6-chloropyrazin-2-yl)amino]benzenesulfonamide, 10::CHEMBL487738

SMILES: NS(=O)(=O)c1ccc(Nc2cncc(Cl)n2)cc1

InChI Key: InChIKey=RSNSGNZRUMHXAY-UHFFFAOYSA-N

Data: 2 IC50

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 = 24631   
Target
(Institution)
LigandTarget
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


(Homo sapiens (human))
BDBM24631
PNG
(4-[(6-chloropyrazin-2-yl)amino]benzene-1-sulfonami...)
Show SMILES NS(=O)(=O)c1ccc(Nc2cncc(Cl)n2)cc1
Show InChI InChI=1S/C10H9ClN4O2S/c11-9-5-13-6-10(15-9)14-7-1-3-8(4-2-7)18(12,16)17/h1-6H,(H,14,15)(H2,12,16,17)
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
AffyNet 
MMDB
PDB
Article
PubMed
n/an/a 9.10E+3n/an/an/an/an/an/a



Astex Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CDK2


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


(Homo sapiens (human))
BDBM24631
PNG
(4-[(6-chloropyrazin-2-yl)amino]benzene-1-sulfonami...)
Show SMILES NS(=O)(=O)c1ccc(Nc2cncc(Cl)n2)cc1
Show InChI InChI=1S/C10H9ClN4O2S/c11-9-5-13-6-10(15-9)14-7-1-3-8(4-2-7)18(12,16)17/h1-6H,(H,14,15)(H2,12,16,17)
MMDB

NCI pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
AffyNet 
DrugBank
MMDB
Article
PubMed
n/an/a 1.90E+3n/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....


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)