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BDBM50027782 3-Ethynyl Phenanthrene::CHEMBL1908226

SMILES: C#Cc1ccc2ccc3ccccc3c2c1

InChI Key: InChIKey=LOGSUFFLSMEOEC-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50027782   
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)
BDBM50027782
PNG
(3-Ethynyl Phenanthrene | CHEMBL1908226)
Show SMILES C#Cc1ccc2ccc3ccccc3c2c1
Show InChI InChI=1S/C16H10/c1-2-12-7-8-14-10-9-13-5-3-4-6-15(13)16(14)11-12/h1,3-11H
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PC cid
PC sid
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Similars

PubMed
90n/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