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SMILES: CC(=O)Nc1cc(Cl)cc2nc(C)[nH]c12

InChI Key: InChIKey=GZONQVYVJJXHMO-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50404924   
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 2B1


(Rattus norvegicus)		BDBM50404924
PNG
(CHEMBL171730)
Show SMILES CC(=O)Nc1cc(Cl)cc2nc(C)[nH]c12
Show InChI InChI=1S/C10H10ClN3O/c1-5-12-8-3-7(11)4-9(10(8)13-5)14-6(2)15/h3-4H,1-2H3,(H,12,13)(H,14,15)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PubMed
n/an/a 3.09E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.

J Med Chem 25: 887-92 (1982)


BindingDB Entry DOI: 10.7270/Q2VT1T8J
More data for this
Ligand-Target Pair