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BDBM50027789 CHEMBL1908217

SMILES: COC(=O)c1csc2snnc12

InChI Key: InChIKey=FMCBCIKSEQJAGA-UHFFFAOYSA-N

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50027789   
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
Cytochrome P450 2B4


(Oryctolagus cuniculus)
BDBM50027789
PNG
(CHEMBL1908217)
Show SMILES COC(=O)c1csc2snnc12
Show InChI InChI=1S/C6H4N2O2S2/c1-10-5(9)3-2-11-6-4(3)7-8-12-6/h2H,1H3
PDB
MMDB

KEGG

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CHEMBL
PC cid
PC sid
UniChem
PubMed
2.00E+6n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Mechanism based inhibition of rabbit cytochrome P450 CYP2B4 1-Phenylethanol oxidation was used as probe activity


Curr Drug Metab 6: 413-54 (2005)


BindingDB Entry DOI: 10.7270/Q2VQ33X3
More data for this
Ligand-Target Pair