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BDBM56853 2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-thiophen-2-yl-ethanone::2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-thiophen-2-ylethanone::2-[(1-phenyl-1,2,4-triazol-3-yl)thio]-1-(2-thienyl)ethanone::2-[(1-phenyl-1,2,4-triazol-3-yl)thio]-1-thiophen-2-ylethanone::2-[(1-phenyl-1H-1,2,4-triazol-3-yl)thio]-1-(2-thienyl)ethanone::MLS000099006::SMR000070419::cid_877545

SMILES: O=C(CSc1ncn(n1)-c1ccccc1)c1cccs1

InChI Key: InChIKey=UMNFXMBKXPZOQX-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 56853   
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
DNA repair protein RAD51 homolog 1


(Homo sapiens (Human))
BDBM56853
PNG
(2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-thioph...)
Show SMILES O=C(CSc1ncn(n1)-c1ccccc1)c1cccs1
Show InChI InChI=1S/C14H11N3OS2/c18-12(13-7-4-8-19-13)9-20-14-15-10-17(16-14)11-5-2-1-3-6-11/h1-8,10H,9H2
PDB
MMDB

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PCBioAssay
n/an/a 8.50E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Project Title: A screen for modulators of human Rad51, a key DNA repair protein Application Number: MH084119 Assay Submitter: Dr. Alex Mazin Submitte...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2BV7F1T
More data for this
Ligand-Target Pair
poly(A) binding protein, cytoplasmic 1


(Homo sapiens (Human))
BDBM56853
PNG
(2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-thioph...)
Show SMILES O=C(CSc1ncn(n1)-c1ccccc1)c1cccs1
Show InChI InChI=1S/C14H11N3OS2/c18-12(13-7-4-8-19-13)9-20-14-15-10-17(16-14)11-5-2-1-3-6-11/h1-8,10H,9H2
PDB
MMDB

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KEGG

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UniProtKB/TrEMBL

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UniChem

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PCBioAssay
n/an/a>6.60E+4n/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 (2012)


BindingDB Entry DOI: 10.7270/Q2V40ST1
More data for this
Ligand-Target Pair
poly(A) binding protein, cytoplasmic 1


(Homo sapiens (Human))
BDBM56853
PNG
(2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-thioph...)
Show SMILES O=C(CSc1ncn(n1)-c1ccccc1)c1cccs1
Show InChI InChI=1S/C14H11N3OS2/c18-12(13-7-4-8-19-13)9-20-14-15-10-17(16-14)11-5-2-1-3-6-11/h1-8,10H,9H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>6.60E+4n/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 (2012)


BindingDB Entry DOI: 10.7270/Q2ZW1JJF
More data for this
Ligand-Target Pair