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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cytochrome b' and Ligand = 'BDBM192090'   
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))
BDBM192090
PNG
(Inz-81)
Show SMILES COC(=O)Cn1nc(-c2cc(OCCCC3CCCCC3)ccc2F)c2ccccc12
Show InChI InChI=1S/C25H29FN2O3/c1-30-24(29)17-28-23-12-6-5-11-20(23)25(27-28)21-16-19(13-14-22(21)26)31-15-7-10-18-8-3-2-4-9-18/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 129n/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))
BDBM192090
PNG
(Inz-81)
Show SMILES COC(=O)Cn1nc(-c2cc(OCCCC3CCCCC3)ccc2F)c2ccccc12
Show InChI InChI=1S/C25H29FN2O3/c1-30-24(29)17-28-23-12-6-5-11-20(23)25(27-28)21-16-19(13-14-22(21)26)31-15-7-10-18-8-3-2-4-9-18/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 2.43E+3n/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