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SMILES: COc1cc(OS(=O)(=O)c2ccc(cc2)N2CCN(CC(C)C)C2=O)cc(OC)c1OC

InChI Key:

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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50585333   
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


(Homo sapiens (Human))		BDBM50585333
PNG
(CHEMBL5084275)
Show SMILES COc1cc(OS(=O)(=O)c2ccc(cc2)N2CCN(CC(C)C)C2=O)cc(OC)c1OC
PDB

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PC cid
PC sid
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Article
PubMed
 1.70E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant CYP1A1 in human liver microsomes assessed as inhibition constant measured for 15 mins in the presence of NADPH regene...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114003
BindingDB Entry DOI: 10.7270/Q2BK1H8R
More data for this
Ligand-Target Pair