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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cytochrome b' and Ligand = 'BDBM192084'   
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


(Homo sapiens (Human))
BDBM192084
PNG
(Inz-75)
Show SMILES COC(=O)Cn1nc(-c2cccc(OCCC34CC5CC(CC(C5)C3)C4)c2)c2ccccc12 |TLB:19:20:24:18.23.17,23:18:25:22.24.21,23:22:25:19.18.17,THB:19:18:24:25.20.21|
Show InChI InChI=1S/C28H32N2O3/c1-32-26(31)18-30-25-8-3-2-7-24(25)27(29-30)22-5-4-6-23(14-22)33-10-9-28-15-19-11-20(16-28)13-21(12-19)17-28/h2-8,14,19-21H,9-13,15-18H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.08E+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
Cytochrome b


(Candida albicans (Yeast))
BDBM192084
PNG
(Inz-75)
Show SMILES COC(=O)Cn1nc(-c2cccc(OCCC34CC5CC(CC(C5)C3)C4)c2)c2ccccc12 |TLB:19:20:24:18.23.17,23:18:25:22.24.21,23:22:25:19.18.17,THB:19:18:24:25.20.21|
Show InChI InChI=1S/C28H32N2O3/c1-32-26(31)18-30-25-8-3-2-7-24(25)27(29-30)22-5-4-6-23(14-22)33-10-9-28-15-19-11-20(16-28)13-21(12-19)17-28/h2-8,14,19-21H,9-13,15-18H2,1H3
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.14E+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