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BDBM50382596 CHEMBL2022990

SMILES: CC(=O)c1cccc(c1)C(SCCN)(c1ccccc1)c1ccccc1

InChI Key: InChIKey=FYVIRCUVQLOZOS-UHFFFAOYSA-N

Data: 1 KI

PDB links: 1 PDB ID matches this monomer.

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 1 hit for monomerid = 50382596   
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)
BDBM50382596
PNG
(CHEMBL2022990)
Show SMILES CC(=O)c1cccc(c1)C(SCCN)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H23NOS/c1-18(25)19-9-8-14-22(17-19)23(26-16-15-24,20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-14,17H,15-16,24H2,1H3
PDB
MMDB

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CHEMBL
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PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
186n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)