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BDBM80164 3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4-(veratrylideneamino)-1H-1,2,4-triazole-5-thione::4-[(3,4-dimethoxyphenyl)methylideneamino]-3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-1H-1,2,4-triazole-5-thione::4-{[1-(3,4-Dimethoxy-phenyl)-meth-(E)-ylidene]-amino}-5-(1,4,5,6-tetrahydro-cyclopentapyrazol-3-yl)-4H-[1,2,4]triazole-3-thiol::MLS000331448::SMR000220875::cid_1423282

SMILES: COc1ccc(C=Nn2c(n[nH]c2=S)-c2n[nH]c3CCCc23)cc1OC

InChI Key: InChIKey=RVKNIWJZPYQOTK-BPBKJBBCSA-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 = 80164   
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))
BDBM80164
PNG
(3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4-...)
Show SMILES COc1ccc(C=Nn2c(n[nH]c2=S)-c2n[nH]c3CCCc23)cc1OC |w:7.7|
Show InChI InChI=1S/C17H16N6O2S/c1-24-13-7-6-10(8-14(13)25-2)9-18-23-16(21-22-17(23)26)15-11-4-3-5-12(11)19-20-15/h6-9H,3-5H2,1-2H3/b16-15+,18-9?
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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))
BDBM80164
PNG
(3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4-...)
Show SMILES COc1ccc(C=Nn2c(n[nH]c2=S)-c2n[nH]c3CCCc23)cc1OC |w:7.7|
Show InChI InChI=1S/C17H16N6O2S/c1-24-13-7-6-10(8-14(13)25-2)9-18-23-16(21-22-17(23)26)15-11-4-3-5-12(11)19-20-15/h6-9H,3-5H2,1-2H3/b16-15+,18-9?
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.49E+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