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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cytochrome b' and Ligand = 'BDBM192091'   
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 b


(Candida albicans (Yeast))
BDBM192091
PNG
(Inz-82)
Show SMILES Cn1nnc(Cn2nc(-c3cc(OCCCC4CCCCC4)ccc3F)c3ccccc23)n1
Show InChI InChI=1S/C25H29FN6O/c1-31-28-24(27-30-31)17-32-23-12-6-5-11-20(23)25(29-32)21-16-19(13-14-22(21)26)33-15-7-10-18-8-3-2-4-9-18/h5-6,11-14,16,18H,2-4,7-10,15,17H2,1H3
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 614n/an/an/an/a7.425



Massachusetts Institute of Technology



Assay Description
The cytochrome b enzyme assay was adapted from previous studies (Gutierrez-Cirlos et al., 2004). Briefly, compounds were diluted in a 23 reaction buf...


Cell Chem Biol 23: 978-991 (2016)


Article DOI: 10.1016/j.chembiol.2016.06.016
BindingDB Entry DOI: 10.7270/Q2SX6C1B
More data for this
Ligand-Target Pair
Cytochrome b


(Homo sapiens (Human))
BDBM192091
PNG
(Inz-82)
Show SMILES Cn1nnc(Cn2nc(-c3cc(OCCCC4CCCCC4)ccc3F)c3ccccc23)n1
Show InChI InChI=1S/C25H29FN6O/c1-31-28-24(27-30-31)17-32-23-12-6-5-11-20(23)25(29-32)21-16-19(13-14-22(21)26)33-15-7-10-18-8-3-2-4-9-18/h5-6,11-14,16,18H,2-4,7-10,15,17H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.23E+4n/an/an/an/a7.425



Massachusetts Institute of Technology



Assay Description
The cytochrome b enzyme assay was adapted from previous studies (Gutierrez-Cirlos et al., 2004). Briefly, compounds were diluted in a 23 reaction buf...


Cell Chem Biol 23: 978-991 (2016)


Article DOI: 10.1016/j.chembiol.2016.06.016
BindingDB Entry DOI: 10.7270/Q2SX6C1B
More data for this
Ligand-Target Pair