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BDBM80378 3-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide::3-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)thio]-N-phenyl-propionamide::3-[(5-benzyl-4-methyl-4H-1,2,4-triazol-3-yl)thio]-N-phenylpropanamide::3-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-propanamide::3-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-phenylpropanamide::MLS000052663::SMR000082347::cid_2237442

SMILES: Cn1c(Cc2ccccc2)nnc1SCCC(=O)Nc1ccccc1

InChI Key: InChIKey=JCTOJZDTUSLUGV-UHFFFAOYSA-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 = 80378   
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
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM80378
PNG
(3-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]...)
Show SMILES Cn1c(Cc2ccccc2)nnc1SCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C19H20N4OS/c1-23-17(14-15-8-4-2-5-9-15)21-22-19(23)25-13-12-18(24)20-16-10-6-3-7-11-16/h2-11H,12-14H2,1H3,(H,20,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 2.03E+3n/an/an/an/an/a25



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, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q24F1P6P
More data for this
Ligand-Target Pair
DNA dC->dU-editing enzyme APOBEC-3G


(Homo sapiens (Human))
BDBM80378
PNG
(3-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]...)
Show SMILES Cn1c(Cc2ccccc2)nnc1SCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C19H20N4OS/c1-23-17(14-15-8-4-2-5-9-15)21-22-19(23)25-13-12-18(24)20-16-10-6-3-7-11-16/h2-11H,12-14H2,1H3,(H,20,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 4.55E+3n/an/an/an/an/a25



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, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2862DX0
More data for this
Ligand-Target Pair