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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2B1' and Ligand = 'BDBM50404941'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Cytochrome P450 2B1


(Rattus norvegicus)		BDBM50404941
PNG
(CHEMBL353984)
Show SMILES Brc1ccccc1OCc1nc2ccccc2[nH]1
Show InChI InChI=1S/C14H11BrN2O/c15-10-5-1-4-8-13(10)18-9-14-16-11-6-2-3-7-12(11)17-14/h1-8H,9H2,(H,16,17)
PDB

UniProtKB/SwissProt

DrugBank
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.20E+4n/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