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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cytochrome b' and Ligand = 'BDBM192066'   
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))
BDBM192066
PNG
(Inz-57)
Show SMILES COC(=O)Cn1nc(-c2cccc(OCCC(C)C)c2)c2ccccc12
Show InChI InChI=1S/C21H24N2O3/c1-15(2)11-12-26-17-8-6-7-16(13-17)21-18-9-4-5-10-19(18)23(22-21)14-20(24)25-3/h4-10,13,15H,11-12,14H2,1-3H3
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 156n/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))
BDBM192066
PNG
(Inz-57)
Show SMILES COC(=O)Cn1nc(-c2cccc(OCCC(C)C)c2)c2ccccc12
Show InChI InChI=1S/C21H24N2O3/c1-15(2)11-12-26-17-8-6-7-16(13-17)21-18-9-4-5-10-19(18)23(22-21)14-20(24)25-3/h4-10,13,15H,11-12,14H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.77E+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