Found 5 hits in this display 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
(Homo sapiens (Human)) | BDBM7729
(4-[N -(6-Ethyl-2-oxo-1,2-dihydro-indol-3-ylidene)-...)Show SMILES CCc1ccc2C(=NNc3ccc(cc3)S(N)(=O)=O)C(=O)Nc2c1 |w:7.7| Show InChI InChI=1S/C16H16N4O3S/c1-2-10-3-8-13-14(9-10)18-16(21)15(13)20-19-11-4-6-12(7-5-11)24(17,22)23/h3-9,19H,2H2,1H3,(H2,17,22,23)(H,18,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Yale University
Curated by ChEMBL
| Assay Description
Evaluated for inhibition of human cyclin dependent kinase 2 |
J Med Chem 47: 2534-49 (2004)
Article DOI: 10.1021/jm0304358
BindingDB Entry DOI: 10.7270/Q2KH0P3P |
More data for this
Ligand-Target Pair | |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM7729
(4-[N -(6-Ethyl-2-oxo-1,2-dihydro-indol-3-ylidene)-...)Show SMILES CCc1ccc2C(=NNc3ccc(cc3)S(N)(=O)=O)C(=O)Nc2c1 |w:7.7| Show InChI InChI=1S/C16H16N4O3S/c1-2-10-3-8-13-14(9-10)18-16(21)15(13)20-19-11-4-6-12(7-5-11)24(17,22)23/h3-9,19H,2H2,1H3,(H2,17,22,23)(H,18,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
| Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A... |
J Med Chem 44: 4339-58 (2001)
Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM7729
(4-[N -(6-Ethyl-2-oxo-1,2-dihydro-indol-3-ylidene)-...)Show SMILES CCc1ccc2C(=NNc3ccc(cc3)S(N)(=O)=O)C(=O)Nc2c1 |w:7.7| Show InChI InChI=1S/C16H16N4O3S/c1-2-10-3-8-13-14(9-10)18-16(21)15(13)20-19-11-4-6-12(7-5-11)24(17,22)23/h3-9,19H,2H2,1H3,(H2,17,22,23)(H,18,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zurich
Curated by ChEMBL
| Assay Description
Inhibition of CDK2 |
J Med Chem 51: 1179-88 (2008)
Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1
(Homo sapiens (Human)) | BDBM7729
(4-[N -(6-Ethyl-2-oxo-1,2-dihydro-indol-3-ylidene)-...)Show SMILES CCc1ccc2C(=NNc3ccc(cc3)S(N)(=O)=O)C(=O)Nc2c1 |w:7.7| Show InChI InChI=1S/C16H16N4O3S/c1-2-10-3-8-13-14(9-10)18-16(21)15(13)20-19-11-4-6-12(7-5-11)24(17,22)23/h3-9,19H,2H2,1H3,(H2,17,22,23)(H,18,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 660 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
| Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A... |
J Med Chem 44: 4339-58 (2001)
Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM7729
(4-[N -(6-Ethyl-2-oxo-1,2-dihydro-indol-3-ylidene)-...)Show SMILES CCc1ccc2C(=NNc3ccc(cc3)S(N)(=O)=O)C(=O)Nc2c1 |w:7.7| Show InChI InChI=1S/C16H16N4O3S/c1-2-10-3-8-13-14(9-10)18-16(21)15(13)20-19-11-4-6-12(7-5-11)24(17,22)23/h3-9,19H,2H2,1H3,(H2,17,22,23)(H,18,20,21) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 660 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zurich
Curated by ChEMBL
| Assay Description
Inhibition of CDK1 |
J Med Chem 51: 1179-88 (2008)
Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD |
More data for this
Ligand-Target Pair | |