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BDBM50382597 CHEMBL2022991

SMILES: CC(=O)c1ccc(cc1)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1

InChI Key: InChIKey=LQHRETDBVKGSEW-QFIPXVFZSA-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 = 50382597   
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))
BDBM50382597
PNG
(CHEMBL2022991)
Show SMILES CC(=O)c1ccc(cc1)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C24H23NO3S/c1-17(26)18-12-14-21(15-13-18)24(19-8-4-2-5-9-19,20-10-6-3-7-11-20)29-16-22(25)23(27)28/h2-15,22H,16,25H2,1H3,(H,27,28)/t22-/m0/s1
PDB
MMDB

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PC cid
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Article
PubMed
272n/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