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BDBM50382589 CHEMBL2022982

SMILES: CCc1cccc(c1)C(SCCN)(c1ccccc1)c1ccccc1

InChI Key: InChIKey=UBXQVTPWWLPNGM-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50382589   
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))
BDBM50382589
PNG
(CHEMBL2022982)
Show SMILES CCc1cccc(c1)C(SCCN)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H25NS/c1-2-19-10-9-15-22(18-19)23(25-17-16-24,20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-15,18H,2,16-17,24H2,1H3
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.90n/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
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50382589
PNG
(CHEMBL2022982)
Show SMILES CCc1cccc(c1)C(SCCN)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H25NS/c1-2-19-10-9-15-22(18-19)23(25-17-16-24,20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-15,18H,2,16-17,24H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
23n/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