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BDBM50382585 CHEMBL2022594

SMILES: N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1cccc(Cl)c1)C(O)=O

InChI Key: InChIKey=ACJYMJDGPOZZLK-FQEVSTJZSA-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 = 50382585   
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))
BDBM50382585
PNG
(CHEMBL2022594)
Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1cccc(Cl)c1)C(O)=O |r|
Show InChI InChI=1S/C22H20ClNO2S/c23-19-13-7-12-18(14-19)22(16-8-3-1-4-9-16,17-10-5-2-6-11-17)27-15-20(24)21(25)26/h1-14,20H,15,24H2,(H,25,26)/t20-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
89.9n/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
3D
3D Structure (docked)