Found 2 hits Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1' and Ligand = 'BDBM59235' 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/G2/mitotic-specific cyclin- 1
(Homo sapiens (Human)) | BDBM59235
(PEGylated derivative, RGB-286276)Show SMILES COCCOCCOCCOc1ccc(Cc2nc3n(nc(C(C)C)c3c(=O)[nH]2)-c2c(Cl)cccc2Cl)cc1 |(-26.47,3.35,;-25.13,2.58,;-23.8,3.35,;-22.47,2.58,;-21.13,3.35,;-19.8,2.58,;-18.47,3.35,;-17.13,2.58,;-15.8,3.35,;-14.46,2.58,;-13.13,3.35,;-11.8,2.58,;-11.8,1.04,;-10.46,.27,;-9.13,1.04,;-7.8,.27,;-6.46,1.04,;-5.13,.27,;-3.79,1.04,;-2.33,.57,;-1.43,1.81,;-2.33,3.06,;-1.93,4.55,;-.44,4.95,;-3.02,5.64,;-3.79,2.58,;-5.13,3.35,;-5.13,4.89,;-6.46,2.58,;-1.93,-.92,;-.44,-1.32,;.33,.02,;-.05,-2.8,;-1.13,-3.89,;-2.62,-3.49,;-3.02,-2.01,;-4.51,-1.61,;-9.13,2.58,;-10.46,3.35,)| Show InChI InChI=1S/C28H32Cl2N4O5/c1-18(2)25-24-27(34(33-25)26-21(29)5-4-6-22(26)30)31-23(32-28(24)35)17-19-7-9-20(10-8-19)39-16-15-38-14-13-37-12-11-36-3/h4-10,18H,11-17H2,1-3H3,(H,31,32,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
GPC Biotech, Inc.
| Assay Description
Inhibition of HCT116 cell proliferation with compounds using calcein AM Assay. |
Chem Biol 12: 1103-15 (2005)
Article DOI: 10.1016/j.chembiol.2005.08.008
BindingDB Entry DOI: 10.7270/Q28W3BR6 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1
(Homo sapiens (Human)) | BDBM59235
(PEGylated derivative, RGB-286276)Show SMILES COCCOCCOCCOc1ccc(Cc2nc3n(nc(C(C)C)c3c(=O)[nH]2)-c2c(Cl)cccc2Cl)cc1 |(-26.47,3.35,;-25.13,2.58,;-23.8,3.35,;-22.47,2.58,;-21.13,3.35,;-19.8,2.58,;-18.47,3.35,;-17.13,2.58,;-15.8,3.35,;-14.46,2.58,;-13.13,3.35,;-11.8,2.58,;-11.8,1.04,;-10.46,.27,;-9.13,1.04,;-7.8,.27,;-6.46,1.04,;-5.13,.27,;-3.79,1.04,;-2.33,.57,;-1.43,1.81,;-2.33,3.06,;-1.93,4.55,;-.44,4.95,;-3.02,5.64,;-3.79,2.58,;-5.13,3.35,;-5.13,4.89,;-6.46,2.58,;-1.93,-.92,;-.44,-1.32,;.33,.02,;-.05,-2.8,;-1.13,-3.89,;-2.62,-3.49,;-3.02,-2.01,;-4.51,-1.61,;-9.13,2.58,;-10.46,3.35,)| Show InChI InChI=1S/C28H32Cl2N4O5/c1-18(2)25-24-27(34(33-25)26-21(29)5-4-6-22(26)30)31-23(32-28(24)35)17-19-7-9-20(10-8-19)39-16-15-38-14-13-37-12-11-36-3/h4-10,18H,11-17H2,1-3H3,(H,31,32,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 84 | n/a | n/a | n/a | n/a | n/a | n/a |
GPC Biotech, Inc.
| Assay Description
In vitro kinase activity of PEGylated pyrazolopyrimidone CDK inhibitor or a 5 PEG-amine was coupled to ReactiGel agarose beads (Pierce, No. 20259). |
Chem Biol 12: 1103-15 (2005)
Article DOI: 10.1016/j.chembiol.2005.08.008
BindingDB Entry DOI: 10.7270/Q28W3BR6 |
More data for this
Ligand-Target Pair | |
Search and Browse
