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BDBM50382591 CHEMBL2022984

SMILES: CCCc1cccc(c1)C(SCCN)(c1ccccc1)c1ccccc1

InChI Key: InChIKey=YCFSKQRZJMJUPV-UHFFFAOYSA-N

Data: 1 KI

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50382591   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50382591
PNG
(CHEMBL2022984)
Show SMILES CCCc1cccc(c1)C(SCCN)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H27NS/c1-2-10-20-11-9-16-23(19-20)24(26-18-17-25,21-12-5-3-6-13-21)22-14-7-4-8-15-22/h3-9,11-16,19H,2,10,17-18,25H2,1H3
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
29.6n/an/an/an/an/an/an/an/a



The Beatson Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal hexa-histidine tagged human cloned Eg5 (1 to 368 amino acids) expressed in Escherichia coli BL21 (DE3) assessed as reduction...


J Med Chem 55: 1511-25 (2012)


Article DOI: 10.1021/jm201195m
BindingDB Entry DOI: 10.7270/Q2CZ386T
More data for this
Ligand-Target Pair