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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 380.3
BDBM34290
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM34290
PNG
(6-(1,3-benzodioxol-5-yl)-3-(2,3-dihydro-1,4-benzod...)
Show SMILES C1Oc2ccc(cc2O1)-c1nn2c(nnc2s1)C1COc2ccccc2O1
Show InChI InChI=1S/C18H12N4O4S/c1-2-4-13-11(3-1)23-8-15(26-13)16-19-20-18-22(16)21-17(27-18)10-5-6-12-14(7-10)25-9-24-12/h1-7,15H,8-9H2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.46E+3n/an/an/an/a8.023



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
A fluorescence resonance energy transfer assay is developed in 96-well and 384-well microplate formats with robotic manipulation to enable high-throu...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D5W
More data for this
Ligand-Target Pair
DNA dC->dU-editing enzyme APOBEC-3G


(Homo sapiens (Human))
BDBM34290
PNG
(6-(1,3-benzodioxol-5-yl)-3-(2,3-dihydro-1,4-benzod...)
Show SMILES C1Oc2ccc(cc2O1)-c1nn2c(nnc2s1)C1COc2ccccc2O1
Show InChI InChI=1S/C18H12N4O4S/c1-2-4-13-11(3-1)23-8-15(26-13)16-19-20-18-22(16)21-17(27-18)10-5-6-12-14(7-10)25-9-24-12/h1-7,15H,8-9H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.28E+4n/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