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SMILES: COc1cccc(C=Nn2c(n[nH]c2=S)-c2n[nH]c3CCCc23)c1O

InChI Key: InChIKey=BSLJCFHPSXTARU-IJXMEKRPSA-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 = 80165   
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))
BDBM80165
PNG
((6E)-2-methoxy-6-[[[3-(1,4,5,6-tetrahydrocyclopent...)
Show SMILES COc1cccc(C=Nn2c(n[nH]c2=S)-c2n[nH]c3CCCc23)c1O |w:8.8|
Show InChI InChI=1S/C16H14N6O2S/c1-24-12-7-2-4-9(14(12)23)8-17-22-15(20-21-16(22)25)13-10-5-3-6-11(10)18-19-13/h2,4,7-8,23H,3,5-6H2,1H3/b15-13+,17-8?
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

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))
BDBM80165
PNG
((6E)-2-methoxy-6-[[[3-(1,4,5,6-tetrahydrocyclopent...)
Show SMILES COc1cccc(C=Nn2c(n[nH]c2=S)-c2n[nH]c3CCCc23)c1O |w:8.8|
Show InChI InChI=1S/C16H14N6O2S/c1-24-12-7-2-4-9(14(12)23)8-17-22-15(20-21-16(22)25)13-10-5-3-6-11(10)18-19-13/h2,4,7-8,23H,3,5-6H2,1H3/b15-13+,17-8?
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.48E+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/Q2HQ3XD6
More data for this
Ligand-Target Pair