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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 5' and Ligand = 'BDBM50267565'   
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 5


(Homo sapiens (Human))
BDBM50267565
PNG
(3-(6-Chloro-5-fluoro-1-methyl-1H-indol-3-yl)-4-(7-...)
Show SMILES COc1cccc2c(coc12)C1=C(C(=O)NC1=O)c1cn(C)c2cc(Cl)c(F)cc12 |t:13|
Show InChI InChI=1S/C22H14ClFN2O4/c1-26-8-12(11-6-15(24)14(23)7-16(11)26)18-19(22(28)25-21(18)27)13-9-30-20-10(13)4-3-5-17(20)29-2/h3-9H,1-2H3,(H,25,27,28)
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.16E+4n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of CDK5/P35


J Med Chem 52: 1853-63 (2009)


Article DOI: 10.1021/jm801317h
BindingDB Entry DOI: 10.7270/Q24M94FZ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5


(Homo sapiens (Human))
BDBM50267565
PNG
(3-(6-Chloro-5-fluoro-1-methyl-1H-indol-3-yl)-4-(7-...)
Show SMILES COc1cccc2c(coc12)C1=C(C(=O)NC1=O)c1cn(C)c2cc(Cl)c(F)cc12 |t:13|
Show InChI InChI=1S/C22H14ClFN2O4/c1-26-8-12(11-6-15(24)14(23)7-16(11)26)18-19(22(28)25-21(18)27)13-9-30-20-10(13)4-3-5-17(20)29-2/h3-9H,1-2H3,(H,25,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.08E+5n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of CDK5/P25 (unknown origin)


J Med Chem 52: 1853-63 (2009)


Article DOI: 10.1021/jm801317h
BindingDB Entry DOI: 10.7270/Q24M94FZ
More data for this
Ligand-Target Pair