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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 = 'BDBM50351256'   
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))
BDBM50351256
PNG
(CHEMBL1818526)
Show SMILES N[C@H](CO)CSC(c1ccccc1)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C22H23NOS/c23-21(16-24)17-25-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21,24H,16-17,23H2/t21-/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 310n/an/an/an/an/an/a



New Mexico State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant microtubule-activated KSP motor domain ATPase activity after 10 mins by end-point assay


Bioorg Med Chem 19: 5446-53 (2011)


Article DOI: 10.1016/j.bmc.2011.07.054
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50351256
PNG
(CHEMBL1818526)
Show SMILES N[C@H](CO)CSC(c1ccccc1)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C22H23NOS/c23-21(16-24)17-25-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21,24H,16-17,23H2/t21-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 294n/an/an/an/a



New Mexico State University

Curated by ChEMBL


Assay Description
Inhibition of KSP in human HeLa cells assessed as bipolar spindle formation


Bioorg Med Chem 19: 5446-53 (2011)


Article DOI: 10.1016/j.bmc.2011.07.054
More data for this
Ligand-Target Pair