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BDBM80160 3-(5-methyl-1H-pyrazol-3-yl)-4-[(3-methyl-2-thienyl)methyleneamino]-1H-1,2,4-triazole-5-thione::3-(5-methyl-1H-pyrazol-3-yl)-4-[(3-methyl-2-thiophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione::3-(5-methyl-1H-pyrazol-3-yl)-4-[(3-methylthiophen-2-yl)methylideneamino]-1H-1,2,4-triazole-5-thione::5-(5-Methyl-2H-pyrazol-3-yl)-4-{[1-(3-methyl-thiophen-2-yl)-meth-(E)-ylidene]-amino}-4H-[1,2,4]triazole-3-thiol::MLS000331369::SMR000220901::cid_1400197

SMILES: Cc1cc(n[nH]1)-c1n[nH]c(=S)n1N=Cc1sccc1C

InChI Key: InChIKey=NNYUEBQEHGVZHO-DRUGFNBUSA-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 = 80160   
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))
BDBM80160
PNG
(3-(5-methyl-1H-pyrazol-3-yl)-4-[(3-methyl-2-thieny...)
Show SMILES Cc1cc(n[nH]1)-c1n[nH]c(=S)n1N=Cc1sccc1C |w:12.13|
Show InChI InChI=1S/C12H10N6S2/c1-7-3-4-20-10(7)6-13-18-11(16-17-12(18)19)9-5-8(2)14-15-9/h3-6H,1-2H3/b11-9+,13-6?
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))
BDBM80160
PNG
(3-(5-methyl-1H-pyrazol-3-yl)-4-[(3-methyl-2-thieny...)
Show SMILES Cc1cc(n[nH]1)-c1n[nH]c(=S)n1N=Cc1sccc1C |w:12.13|
Show InChI InChI=1S/C12H10N6S2/c1-7-3-4-20-10(7)6-13-18-11(16-17-12(18)19)9-5-8(2)14-15-9/h3-6H,1-2H3/b11-9+,13-6?
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.44E+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