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BDBM78181 (E)-3-(3-Benzotriazol-1-ylmethyl-4-methoxy-phenyl)-1-phenyl-propenone::(E)-3-[3-(1-benzotriazolylmethyl)-4-methoxyphenyl]-1-phenyl-2-propen-1-one::(E)-3-[3-(benzotriazol-1-ylmethyl)-4-methoxy-phenyl]-1-phenyl-prop-2-en-1-one::(E)-3-[3-(benzotriazol-1-ylmethyl)-4-methoxyphenyl]-1-phenylprop-2-en-1-one::MLS000589828::SMR000217110::cid_6184004

SMILES: COc1ccc(\C=C\C(=O)c2ccccc2)cc1Cn1nnc2ccccc12

InChI Key: InChIKey=TWOMASWBGWYCSC-ACCUITESSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 78181   
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
TPA: Essential component of the Translocase of the Inner Mitochondrial membrane (TIM23 complex)


(Saccharomyces cerevisiae S288c)
BDBM78181
PNG
((E)-3-(3-Benzotriazol-1-ylmethyl-4-methoxy-phenyl)...)
Show SMILES COc1ccc(\C=C\C(=O)c2ccccc2)cc1Cn1nnc2ccccc12
Show InChI InChI=1S/C23H19N3O2/c1-28-23-14-12-17(11-13-22(27)18-7-3-2-4-8-18)15-19(23)16-26-21-10-6-5-9-20(21)24-25-26/h2-15H,16H2,1H3/b13-11+
PDB

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KEGG

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 7.94E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q26D5RGW
More data for this
Ligand-Target Pair
TPA: Essential protein of the mitochondrial intermembrane space


(Saccharomyces cerevisiae S288c)
BDBM78181
PNG
((E)-3-(3-Benzotriazol-1-ylmethyl-4-methoxy-phenyl)...)
Show SMILES COc1ccc(\C=C\C(=O)c2ccccc2)cc1Cn1nnc2ccccc12
Show InChI InChI=1S/C23H19N3O2/c1-28-23-14-12-17(11-13-22(27)18-7-3-2-4-8-18)15-19(23)16-26-21-10-6-5-9-20(21)24-25-26/h2-15H,16H2,1H3/b13-11+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.40E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2F18X6W
More data for this
Ligand-Target Pair