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BDBM192052 Inz-43

SMILES: CCC(=O)Cn1nc(-c2cccc(OCc3ccccc3)c2)c2ccccc12

InChI Key: InChIKey=ODYBTHPFBLKEID-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 192052   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome b


(Candida albicans (Yeast))
BDBM192052
PNG
(Inz-43)
Show SMILES CCC(=O)Cn1nc(-c2cccc(OCc3ccccc3)c2)c2ccccc12
Show InChI InChI=1S/C24H22N2O2/c1-2-20(27)16-26-23-14-7-6-13-22(23)24(25-26)19-11-8-12-21(15-19)28-17-18-9-4-3-5-10-18/h3-15H,2,16-17H2,1H3
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.28E+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
Cytochrome b


(Homo sapiens (Human))
BDBM192052
PNG
(Inz-43)
Show SMILES CCC(=O)Cn1nc(-c2cccc(OCc3ccccc3)c2)c2ccccc12
Show InChI InChI=1S/C24H22N2O2/c1-2-20(27)16-26-23-14-7-6-13-22(23)24(25-26)19-11-8-12-21(15-19)28-17-18-9-4-3-5-10-18/h3-15H,2,16-17H2,1H3
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>6.40E+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