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BDBM33213 pyrazolopyridine, 12

SMILES: NCC1CN(CCO1)c1c(Br)cnc2[nH]ncc12

InChI Key: InChIKey=BJUBFXSKTBULRW-UHFFFAOYNA-N

Data: 2 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 3 hits for monomerid = 33213   
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
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM33213
PNG
(pyrazolopyridine, 12)
Show SMILES NCC1CN(CCO1)c1c(Br)cnc2[nH]ncc12
Show InChI InChI=1/C11H14BrN5O/c12-9-5-14-11-8(4-15-16-11)10(9)17-1-2-18-7(3-13)6-17/h4-5,7H,1-3,6,13H2,(H,14,15,16)
PDB
MMDB

Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
AffyNet 
PDB
Article
PubMed
n/an/a 390n/an/an/an/a7.523



The Institute of Cancer Research



Assay Description
CHK kinase function was measured in a DELFIA assay in order to monitor phosphorylation of a CDC25C peptide using a specific phospho antibody. The enz...


J Med Chem 52: 4810-9 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM33213
PNG
(pyrazolopyridine, 12)
Show SMILES NCC1CN(CCO1)c1c(Br)cnc2[nH]ncc12
Show InChI InChI=1/C11H14BrN5O/c12-9-5-14-11-8(4-15-16-11)10(9)17-1-2-18-7(3-13)6-17/h4-5,7H,1-3,6,13H2,(H,14,15,16)
MMDB

KEGG

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
AffyNet 
Article
PubMed
n/an/an/an/an/an/an/a7.523



The Institute of Cancer Research



Assay Description
CDK1 kinase activity was measured in a DELFIA based HTScan CDK1/CycB kinase assay kit (Cell Signalling Technology) that monitors biotinylated substra...


J Med Chem 52: 4810-9 (2009)

More data for this
Ligand-Target Pair
Checkpoint Kinase (Chk2)


(Homo sapiens (Human))
BDBM33213
PNG
(pyrazolopyridine, 12)
Show SMILES NCC1CN(CCO1)c1c(Br)cnc2[nH]ncc12
Show InChI InChI=1/C11H14BrN5O/c12-9-5-14-11-8(4-15-16-11)10(9)17-1-2-18-7(3-13)6-17/h4-5,7H,1-3,6,13H2,(H,14,15,16)
PDB
MMDB

Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
AffyNet 
Article
PubMed
n/an/a 7.40E+3n/an/an/an/a7.423



The Institute of Cancer Research



Assay Description
CHK kinase function was measured in a DELFIA assay in order to monitor phosphorylation of a CDC25C peptide using a specific phospho antibody. The enz...


J Med Chem 52: 4810-9 (2009)

More data for this
Ligand-Target Pair