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BDBM61387 MLS001034158::N-[1-[4-ethyl-5-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-1,2,4-triazol-3-yl]-2-oxidanyl-ethyl]benzamide::N-[1-[4-ethyl-5-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-1,2,4-triazol-3-yl]-2-hydroxyethyl]benzamide::N-[1-[5-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]-2-hydroxyethyl]benzamide::N-[1-[5-[[2-(benzylamino)-2-keto-ethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]-2-hydroxy-ethyl]benzamide::SMR000668971::cid_2967841

SMILES: CCn1c(SCC(=O)NCc2ccccc2)nnc1C(CO)NC(=O)c1ccccc1

InChI Key: InChIKey=UGBBHIOKRMWMMS-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 61387   
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
poly(A) binding protein, cytoplasmic 1


(Homo sapiens (Human))
BDBM61387
PNG
(MLS001034158 | N-[1-[4-ethyl-5-[2-oxidanylidene-2-...)
Show SMILES CCn1c(SCC(=O)NCc2ccccc2)nnc1C(CO)NC(=O)c1ccccc1
Show InChI InChI=1S/C22H25N5O3S/c1-2-27-20(18(14-28)24-21(30)17-11-7-4-8-12-17)25-26-22(27)31-15-19(29)23-13-16-9-5-3-6-10-16/h3-12,18,28H,2,13-15H2,1H3,(H,23,29)(H,24,30)
PDB
MMDB

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antibodypedia
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 6.06E+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, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZC819K
More data for this
Ligand-Target Pair
DNA dC->dU-editing enzyme APOBEC-3G


(Homo sapiens (Human))
BDBM61387
PNG
(MLS001034158 | N-[1-[4-ethyl-5-[2-oxidanylidene-2-...)
Show SMILES CCn1c(SCC(=O)NCc2ccccc2)nnc1C(CO)NC(=O)c1ccccc1
Show InChI InChI=1S/C22H25N5O3S/c1-2-27-20(18(14-28)24-21(30)17-11-7-4-8-12-17)25-26-22(27)31-15-19(29)23-13-16-9-5-3-6-10-16/h3-12,18,28H,2,13-15H2,1H3,(H,23,29)(H,24,30)
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PC sid
UniChem
PCBioAssay
n/an/a 4.48E+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
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM61387
PNG
(MLS001034158 | N-[1-[4-ethyl-5-[2-oxidanylidene-2-...)
Show SMILES CCn1c(SCC(=O)NCc2ccccc2)nnc1C(CO)NC(=O)c1ccccc1
Show InChI InChI=1S/C22H25N5O3S/c1-2-27-20(18(14-28)24-21(30)17-11-7-4-8-12-17)25-26-22(27)31-15-19(29)23-13-16-9-5-3-6-10-16/h3-12,18,28H,2,13-15H2,1H3,(H,23,29)(H,24,30)
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UniChem
PCBioAssay
n/an/a 3.67E+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
Eukaryotic translation initiation factor 4H


(Homo sapiens (Human))
BDBM61387
PNG
(MLS001034158 | N-[1-[4-ethyl-5-[2-oxidanylidene-2-...)
Show SMILES CCn1c(SCC(=O)NCc2ccccc2)nnc1C(CO)NC(=O)c1ccccc1
Show InChI InChI=1S/C22H25N5O3S/c1-2-27-20(18(14-28)24-21(30)17-11-7-4-8-12-17)25-26-22(27)31-15-19(29)23-13-16-9-5-3-6-10-16/h3-12,18,28H,2,13-15H2,1H3,(H,23,29)(H,24,30)
PDB
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B.MOAD
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.00E+5n/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, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q26W98HW
More data for this
Ligand-Target Pair