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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 425.4
BDBM80477
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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
DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM80477
PNG
(1-O-tert-butyl 2-O-[2-oxo-2-(4-phenylphenyl)ethyl]...)
Show SMILES CC(C)(C)OC(=O)N1CC(O)CC1C(=O)OCC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C24H27NO6/c1-24(2,3)31-23(29)25-14-19(26)13-20(25)22(28)30-15-21(27)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-12,19-20,26H,13-15H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.79E+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/Q24F1P6P
More data for this
Ligand-Target Pair
DNA dC->dU-editing enzyme APOBEC-3G


(Homo sapiens (Human))
BDBM80477
PNG
(1-O-tert-butyl 2-O-[2-oxo-2-(4-phenylphenyl)ethyl]...)
Show SMILES CC(C)(C)OC(=O)N1CC(O)CC1C(=O)OCC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C24H27NO6/c1-24(2,3)31-23(29)25-14-19(26)13-20(25)22(28)30-15-21(27)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-12,19-20,26H,13-15H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.89E+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/Q2862DX0
More data for this
Ligand-Target Pair