BindingDB logo
myBDB logout

PubMed code 16616492

Compile data set for download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
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 (CDK2)


(Homo sapiens (Human))
BDBM12102
PNG
((2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-{4-[(3R)-...)
Show SMILES C[C@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CC[C@@H](O)C1=O
Show InChI InChI=1S/C19H22N4O3/c1-11(18(25)20-17-10-15(21-22-17)13-2-3-13)12-4-6-14(7-5-12)23-9-8-16(24)19(23)26/h4-7,10-11,13,16,24H,2-3,8-9H2,1H3,(H2,20,21,22,25)/t11-,16+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 27n/an/an/an/a7.422



Nerviano Medical Sciences



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...


Bioorg Med Chem Lett 16: 3205-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.051
BindingDB Entry DOI: 10.7270/Q2K64G99
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM12101
PNG
((2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-{4-[(3S)-...)
Show SMILES C[C@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CC[C@H](O)C1=O
Show InChI InChI=1S/C19H22N4O3/c1-11(18(25)20-17-10-15(21-22-17)13-2-3-13)12-4-6-14(7-5-12)23-9-8-16(24)19(23)26/h4-7,10-11,13,16,24H,2-3,8-9H2,1H3,(H2,20,21,22,25)/t11-,16-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 27n/an/an/an/a7.422



Nerviano Medical Sciences



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...


Bioorg Med Chem Lett 16: 3205-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.051
BindingDB Entry DOI: 10.7270/Q2K64G99
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7101
PNG
((2S)-N-(5-Cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-oxo...)
Show SMILES C[C@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CCCC1=O
Show InChI InChI=1S/C19H22N4O2/c1-12(19(25)20-17-11-16(21-22-17)14-4-5-14)13-6-8-15(9-7-13)23-10-2-3-18(23)24/h6-9,11-12,14H,2-5,10H2,1H3,(H2,20,21,22,25)/t12-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 37n/an/an/an/a7.422



Nerviano Medical Sciences



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...


Bioorg Med Chem Lett 16: 3205-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.051
BindingDB Entry DOI: 10.7270/Q2K64G99
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
* indicates data uncertainty>20%