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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 2' and Ligand = 'BDBM7144'   
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))
BDBM7144
PNG
(3-Benzamidoaminopyrazole deriv. 21 | 4-bromo-N-(5-...)
Show SMILES Brc1ccc(cc1)C(=O)Nc1cc(n[nH]1)C1CCCCC1
Show InChI InChI=1S/C16H18BrN3O/c17-13-8-6-12(7-9-13)16(21)18-15-10-14(19-20-15)11-4-2-1-3-5-11/h6-11H,1-5H2,(H2,18,19,20,21)
PDB
MMDB

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Article
PubMed
n/an/a 1.00E+4n/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
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM7144
PNG
(3-Benzamidoaminopyrazole deriv. 21 | 4-bromo-N-(5-...)
Show SMILES Brc1ccc(cc1)C(=O)Nc1cc(n[nH]1)C1CCCCC1
Show InChI InChI=1S/C16H18BrN3O/c17-13-8-6-12(7-9-13)16(21)18-15-10-14(19-20-15)11-4-2-1-3-5-11/h6-11H,1-5H2,(H2,18,19,20,21)
PDB
MMDB

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KEGG

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PubMed
n/an/an/a>1.00E+5n/an/an/a7.525



CSAR



Assay Description
OctetRed


CSAR 1: (2012)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM7144
PNG
(3-Benzamidoaminopyrazole deriv. 21 | 4-bromo-N-(5-...)
Show SMILES Brc1ccc(cc1)C(=O)Nc1cc(n[nH]1)C1CCCCC1
Show InChI InChI=1S/C16H18BrN3O/c17-13-8-6-12(7-9-13)16(21)18-15-10-14(19-20-15)11-4-2-1-3-5-11/h6-11H,1-5H2,(H2,18,19,20,21)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a>1.00E+5n/an/an/a7.525



CSAR



Assay Description
Thermofluor


CSAR 1: (2012)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM7144
PNG
(3-Benzamidoaminopyrazole deriv. 21 | 4-bromo-N-(5-...)
Show SMILES Brc1ccc(cc1)C(=O)Nc1cc(n[nH]1)C1CCCCC1
Show InChI InChI=1S/C16H18BrN3O/c17-13-8-6-12(7-9-13)16(21)18-15-10-14(19-20-15)11-4-2-1-3-5-11/h6-11H,1-5H2,(H2,18,19,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/an/a>1.00E+5n/an/an/a7.525



CSAR



Assay Description
ITC


CSAR 1: (2012)

More data for this
Ligand-Target Pair