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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 1B1' and Ligand = 'BDBM50113271'   
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))
BDBM50113271
PNG
(CHEMBL3601508)
Show SMILES Cc1cc2c(ccc3c(-c4ccccc4)c(C)c(=O)oc23)o1
Show InChI InChI=1S/C19H14O3/c1-11-10-15-16(21-11)9-8-14-17(13-6-4-3-5-7-13)12(2)19(20)22-18(14)15/h3-10H,1-2H3
PDB
MMDB

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PC cid
PC sid
UniChem
PubMed
2.26E+4n/an/an/an/an/an/an/an/a



Xavier University of Louisiana

Curated by ChEMBL


Assay Description
Inhibition of human microsomal CYP1B1-dependent ethoxyresorufin-O-deethylase activity by spectrofluorimetric analysis in presence of NADPH regenerati...


J Med Chem 58: 6481-93 (2015)


BindingDB Entry DOI: 10.7270/Q2183895
More data for this
Ligand-Target Pair