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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kinesin-like protein 1' and Ligand = 'BDBM50427265'   
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
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50427265
PNG
(CHEMBL2325435)
Show SMILES COc1ccc(cc1)C(CCC(N)C(O)=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H25NO3/c1-28-21-14-12-20(13-15-21)24(17-16-22(25)23(26)27,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,22H,16-17,25H2,1H3,(H,26,27)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
9n/an/an/an/an/an/an/an/a



The Beatson Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged Eg5 (1 to 368 amino acid residues) motor domain basal ATPase activity expressed in Escherichia coli BL21 (...


J Med Chem 56: 1878-93 (2013)


Article DOI: 10.1021/jm3014597
BindingDB Entry DOI: 10.7270/Q20866NN
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50427265
PNG
(CHEMBL2325435)
Show SMILES COc1ccc(cc1)C(CCC(N)C(O)=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H25NO3/c1-28-21-14-12-20(13-15-21)24(17-16-22(25)23(26)27,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,22H,16-17,25H2,1H3,(H,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
15n/an/an/an/an/an/an/an/a



The Beatson Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of MT-stimulated human N-terminal His6-tagged Eg5 (1 to 368 amino acid residues) motor domain ATPase activity expressed in Escherichia col...


J Med Chem 56: 1878-93 (2013)


Article DOI: 10.1021/jm3014597
BindingDB Entry DOI: 10.7270/Q20866NN
More data for this
Ligand-Target Pair