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BDBM50427286 CHEMBL2321913

SMILES: Cc1ccc(cc1)C(SCCN)(c1ccccc1)c1cccc(O)c1

InChI Key: InChIKey=ZZINFQAUQDZYJA-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 = 50427286   
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))
BDBM50427286
PNG
(CHEMBL2321913)
Show SMILES Cc1ccc(cc1)C(SCCN)(c1ccccc1)c1cccc(O)c1
Show InChI InChI=1S/C22H23NOS/c1-17-10-12-19(13-11-17)22(25-15-14-23,18-6-3-2-4-7-18)20-8-5-9-21(24)16-20/h2-13,16,24H,14-15,23H2,1H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.80n/an/an/an/an/an/an/an/a



The Beatson Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of MT-stimulated human N-terminal His6-tagged Eg5 (1 to 368 amino acid residues) motor domain ATPase activity expressed in Escherichia col...


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
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50427286
PNG
(CHEMBL2321913)
Show SMILES Cc1ccc(cc1)C(SCCN)(c1ccccc1)c1cccc(O)c1
Show InChI InChI=1S/C22H23NOS/c1-17-10-12-19(13-11-17)22(25-15-14-23,18-6-3-2-4-7-18)20-8-5-9-21(24)16-20/h2-13,16,24H,14-15,23H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
7.10n/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