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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 7136   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM7136
PNG
(3-Benzamidoaminopyrazole deriv. 13 | CHEMBL333605 ...)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)Nc1cc(n[nH]1)C1CC1
Show InChI InChI=1S/C14H12F3N3O/c15-14(16,17)10-3-1-2-9(6-10)13(21)18-12-7-11(19-20-12)8-4-5-8/h1-3,6-8H,4-5H2,(H2,18,19,20,21)
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Institute of Chemical Biology (CSIR)

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A (unknown origin)


Eur J Med Chem 43: 2807-18 (2008)


Article DOI: 10.1016/j.ejmech.2007.10.016
BindingDB Entry DOI: 10.7270/Q2MP5324
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM7136
PNG
(3-Benzamidoaminopyrazole deriv. 13 | CHEMBL333605 ...)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)Nc1cc(n[nH]1)C1CC1
Show InChI InChI=1S/C14H12F3N3O/c15-14(16,17)10-3-1-2-9(6-10)13(21)18-12-7-11(19-20-12)8-4-5-8/h1-3,6-8H,4-5H2,(H2,18,19,20,21)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Pharmacia Italia



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...


J Med Chem 47: 3367-80 (2004)


Article DOI: 10.1021/jm031145u
BindingDB Entry DOI: 10.7270/Q2RX998G
More data for this
Ligand-Target Pair
3D
3D Structure (docked)