BindingDB logo
myBDB logout

BDBM24637 2-(1H-pyrazol-3-yl)-1H-1,3-benzodiazole::JMC52379 Compound 5::pyrazole-benzimidazole, 16

SMILES: c1cc(n[nH]1)-c1nc2ccccc2[nH]1

InChI Key: InChIKey=IYTGPPNUOLLGBE-UHFFFAOYSA-N

Data: 6 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 7 hits for monomerid = 24637   
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 (CDK2)


(Homo sapiens (human))
BDBM24637
PNG
(2-(1H-pyrazol-3-yl)-1H-1,3-benzodiazole | JMC52379...)
Show SMILES c1cc(n[nH]1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C10H8N4/c1-2-4-8-7(3-1)12-10(13-8)9-5-6-11-14-9/h1-6H,(H,11,14)(H,12,13)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 2.50E+4n/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)


Article DOI: 10.1021/jm800382h
BindingDB Entry DOI: 10.7270/Q24X563W
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM24637
PNG
(2-(1H-pyrazol-3-yl)-1H-1,3-benzodiazole | JMC52379...)
Show SMILES c1cc(n[nH]1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C10H8N4/c1-2-4-8-7(3-1)12-10(13-8)9-5-6-11-14-9/h1-6H,(H,11,14)(H,12,13)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

DrugBank
PDB
Article
PubMed
n/an/a 910n/an/an/an/a7.022



Astex



Assay Description
Assays for Aurora kinase was performed in a DELFIA format. Aurora enzyme was incubated with test compound and cross-tide substrate in the reaction bu...


J Med Chem 52: 379-88 (2009)


Article DOI: 10.1021/jm800984v
BindingDB Entry DOI: 10.7270/Q2P55KT7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aurora kinase B


(Homo sapiens (Human))
BDBM24637
PNG
(2-(1H-pyrazol-3-yl)-1H-1,3-benzodiazole | JMC52379...)
Show SMILES c1cc(n[nH]1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C10H8N4/c1-2-4-8-7(3-1)12-10(13-8)9-5-6-11-14-9/h1-6H,(H,11,14)(H,12,13)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 6.50E+3n/an/an/an/a8.522



Astex



Assay Description
Assays for Aurora kinase was performed in a DELFIA format. Aurora enzyme was incubated with test compound and cross-tide substrate in the reaction bu...


J Med Chem 52: 379-88 (2009)


Article DOI: 10.1021/jm800984v
BindingDB Entry DOI: 10.7270/Q2P55KT7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM24637
PNG
(2-(1H-pyrazol-3-yl)-1H-1,3-benzodiazole | JMC52379...)
Show SMILES c1cc(n[nH]1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C10H8N4/c1-2-4-8-7(3-1)12-10(13-8)9-5-6-11-14-9/h1-6H,(H,11,14)(H,12,13)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 2.80E+4n/an/an/an/an/an/a



Institut de Chimie des Substances Naturelles

Curated by ChEMBL


Assay Description
Inhibition of CDK1 (unknown origin)


Bioorg Med Chem 22: 4474-89 (2014)


Article DOI: 10.1016/j.bmc.2014.04.019
BindingDB Entry DOI: 10.7270/Q29K4CW0
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM24637
PNG
(2-(1H-pyrazol-3-yl)-1H-1,3-benzodiazole | JMC52379...)
Show SMILES c1cc(n[nH]1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C10H8N4/c1-2-4-8-7(3-1)12-10(13-8)9-5-6-11-14-9/h1-6H,(H,11,14)(H,12,13)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 2.80E+4n/an/an/an/an/an/a



Astex



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


J Med Chem 52: 379-88 (2009)


Article DOI: 10.1021/jm800984v
BindingDB Entry DOI: 10.7270/Q2P55KT7
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM24637
PNG
(2-(1H-pyrazol-3-yl)-1H-1,3-benzodiazole | JMC52379...)
Show SMILES c1cc(n[nH]1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C10H8N4/c1-2-4-8-7(3-1)12-10(13-8)9-5-6-11-14-9/h1-6H,(H,11,14)(H,12,13)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

DrugBank
PDB
Article
PubMed
n/an/a 910n/an/an/an/an/an/a



Institut de Chimie des Substances Naturelles

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin)


Bioorg Med Chem 22: 4474-89 (2014)


Article DOI: 10.1016/j.bmc.2014.04.019
BindingDB Entry DOI: 10.7270/Q29K4CW0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM24637
PNG
(2-(1H-pyrazol-3-yl)-1H-1,3-benzodiazole | JMC52379...)
Show SMILES c1cc(n[nH]1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C10H8N4/c1-2-4-8-7(3-1)12-10(13-8)9-5-6-11-14-9/h1-6H,(H,11,14)(H,12,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

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



Astex



Assay Description
CDK1/cyclinB activity was determined using a radiometric assay to measure the incorporation of gamma-phosphate from [gamma-33P]-ATP into histone H1. ...


J Med Chem 52: 379-88 (2009)


Article DOI: 10.1021/jm800984v
BindingDB Entry DOI: 10.7270/Q2P55KT7
More data for this
Ligand-Target Pair