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BDBM50027778 1-Ethynyl Pyrene::CHEMBL1908230

SMILES: C#Cc1ccc2ccc3cccc4ccc1c2c34

InChI Key: InChIKey=VEBUBSLYGRMOSZ-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50027778   
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 1A1


(Rattus norvegicus)
BDBM50027778
PNG
(1-Ethynyl Pyrene | CHEMBL1908230)
Show SMILES C#Cc1ccc2ccc3cccc4ccc1c2c34
Show InChI InChI=1S/C18H10/c1-2-12-6-7-15-9-8-13-4-3-5-14-10-11-16(12)18(15)17(13)14/h1,3-11H
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PC cid
PC sid
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Similars

PubMed
20n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Mechanism based inhibition of rat cytochrome P450 CYP1A1 measured by 7-ethoxyresorufin O-deethylation (EROD)


Citation and Details
More data for this
Ligand-Target Pair