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SMILES: O=c1[nH]c(SCc2n[nH]c(=S)n2-c2ccccc2)nc2ccccc12

InChI Key: InChIKey=FGSLNWPQYWRRCT-UHFFFAOYSA-N

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 = 80115   
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 dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM80115
PNG
(2-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl...)
Show SMILES O=c1[nH]c(SCc2n[nH]c(=S)n2-c2ccccc2)nc2ccccc12
Show InChI InChI=1S/C17H13N5OS2/c23-15-12-8-4-5-9-13(12)18-16(19-15)25-10-14-20-21-17(24)22(14)11-6-2-1-3-7-11/h1-9H,10H2,(H,21,24)(H,18,19,23)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>1.00E+5n/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/Q2CZ35ND
More data for this
Ligand-Target Pair
DNA dC->dU-editing enzyme APOBEC-3G


(Homo sapiens (Human))
BDBM80115
PNG
(2-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl...)
Show SMILES O=c1[nH]c(SCc2n[nH]c(=S)n2-c2ccccc2)nc2ccccc12
Show InChI InChI=1S/C17H13N5OS2/c23-15-12-8-4-5-9-13(12)18-16(19-15)25-10-14-20-21-17(24)22(14)11-6-2-1-3-7-11/h1-9H,10H2,(H,21,24)(H,18,19,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 3.80E+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/Q2HQ3XD6
More data for this
Ligand-Target Pair