Found 5 hits Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Cyclin-dependent kinase 2
(298/298 = 100%)†
(Homo sapiens (Human)) | BDBM7157
(3-Phenylacetamidoaminopyrazole deriv. 34 | CHEMBL1...)Show SMILES FC(F)(F)Oc1ccc(CC(=O)Nc2cc(n[nH]2)C2CC2)cc1 Show InChI InChI=1S/C15H14F3N3O2/c16-15(17,18)23-11-5-1-9(2-6-11)7-14(22)19-13-8-12(20-21-13)10-3-4-10/h1-2,5-6,8,10H,3-4,7H2,(H2,19,20,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/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-A2/Cyclin-dependent kinase 2
(298/298 = 100%)†
(Homo sapiens (Human)) | BDBM7157
(3-Phenylacetamidoaminopyrazole deriv. 34 | CHEMBL1...)Show SMILES FC(F)(F)Oc1ccc(CC(=O)Nc2cc(n[nH]2)C2CC2)cc1 Show InChI InChI=1S/C15H14F3N3O2/c16-15(17,18)23-11-5-1-9(2-6-11)7-14(22)19-13-8-12(20-21-13)10-3-4-10/h1-2,5-6,8,10H,3-4,7H2,(H2,19,20,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Cyclin-dependent kinase 2
(298/298 = 100%)†
(Homo sapiens (Human)) | BDBM7157
(3-Phenylacetamidoaminopyrazole deriv. 34 | CHEMBL1...)Show SMILES FC(F)(F)Oc1ccc(CC(=O)Nc2cc(n[nH]2)C2CC2)cc1 Show InChI InChI=1S/C15H14F3N3O2/c16-15(17,18)23-11-5-1-9(2-6-11)7-14(22)19-13-8-12(20-21-13)10-3-4-10/h1-2,5-6,8,10H,3-4,7H2,(H2,19,20,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 5.83E+4 | n/a | n/a | n/a | 7.5 | 25 |
CSAR
| Assay Description
OctetRed |
CSAR 1: (2012)
|
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(298/298 = 100%)†
(Homo sapiens (Human)) | BDBM7157
(3-Phenylacetamidoaminopyrazole deriv. 34 | CHEMBL1...)Show SMILES FC(F)(F)Oc1ccc(CC(=O)Nc2cc(n[nH]2)C2CC2)cc1 Show InChI InChI=1S/C15H14F3N3O2/c16-15(17,18)23-11-5-1-9(2-6-11)7-14(22)19-13-8-12(20-21-13)10-3-4-10/h1-2,5-6,8,10H,3-4,7H2,(H2,19,20,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 6.89E+3 | n/a | n/a | n/a | 7.5 | 25 |
CSAR
| Assay Description
Thermofluor |
CSAR 1: (2012)
|
More data for this
Ligand-Target Pair | |
Cyclin-A2/Cyclin-dependent kinase 2
(298/298 = 100%)†
(Homo sapiens (Human)) | BDBM7157
(3-Phenylacetamidoaminopyrazole deriv. 34 | CHEMBL1...)Show SMILES FC(F)(F)Oc1ccc(CC(=O)Nc2cc(n[nH]2)C2CC2)cc1 Show InChI InChI=1S/C15H14F3N3O2/c16-15(17,18)23-11-5-1-9(2-6-11)7-14(22)19-13-8-12(20-21-13)10-3-4-10/h1-2,5-6,8,10H,3-4,7H2,(H2,19,20,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 463 | n/a | n/a | n/a | 7.5 | 25 |
CSAR
| Assay Description
OctetRed |
CSAR 1: (2012)
|
More data for this
Ligand-Target Pair | |
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