BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 1B1' and Ligand = 'BDBM50179290'   
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 1B1


(Homo sapiens (Human))		BDBM50179290
PNG
(CHEMBL3814750)
Show SMILES COc1cc(cc(OC)c1OC)\N=N\N1CCOCC1
Show InChI InChI=1S/C13H19N3O4/c1-17-11-8-10(9-12(18-2)13(11)19-3)14-15-16-4-6-20-7-5-16/h8-9H,4-7H2,1-3H3/b15-14+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.80E+4n/an/an/an/an/an/a



Whittier College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP1B1 expressed in Escherichia coli DH5aplha cells assessed as O-deethylation of ethoxyresorufin in presence of NADP...

Bioorg Med Chem Lett 26: 3243-3247 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.064
BindingDB Entry DOI: 10.7270/Q2XG9T1M
More data for this
Ligand-Target Pair