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BDBM50185257 BS 9106::CHEMBL206647

SMILES: C(CC1c2ccccc2Sc2ccccc12)NCCc1ccccc1

InChI Key: InChIKey=MPDWVOODMPSDQA-UHFFFAOYSA-N

Data: 1 IC50

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Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50185257   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50185257
PNG
(BS 9106 | CHEMBL206647)
Show SMILES C(CC1c2ccccc2Sc2ccccc12)NCCc1ccccc1
Show InChI InChI=1S/C23H23NS/c1-2-8-18(9-3-1)14-16-24-17-15-19-20-10-4-6-12-22(20)25-23-13-7-5-11-21(19)23/h1-13,19,24H,14-17H2/q+2
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 260n/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6 expressed in Escherichia coli JM109


J Med Chem 49: 2417-30 (2006)


Article DOI: 10.1021/jm0508538
BindingDB Entry DOI: 10.7270/Q2930TZX
More data for this
Ligand-Target Pair