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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 494.6
BDBM80678
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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))
BDBM80678
PNG
(4-(dimethylsulfamoyl)-N-[4-[methyl-(1-methyl-4-pip...)
Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)N(C)C1CCN(C)CC1
Show InChI InChI=1S/C22H30N4O5S2/c1-24(2)32(28,29)20-9-5-17(6-10-20)22(27)23-18-7-11-21(12-8-18)33(30,31)26(4)19-13-15-25(3)16-14-19/h5-12,19H,13-16H2,1-4H3,(H,23,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.39E+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/Q24F1P6P
More data for this
Ligand-Target Pair
DNA dC->dU-editing enzyme APOBEC-3G


(Homo sapiens (Human))
BDBM80678
PNG
(4-(dimethylsulfamoyl)-N-[4-[methyl-(1-methyl-4-pip...)
Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)N(C)C1CCN(C)CC1
Show InChI InChI=1S/C22H30N4O5S2/c1-24(2)32(28,29)20-9-5-17(6-10-20)22(27)23-18-7-11-21(12-8-18)33(30,31)26(4)19-13-15-25(3)16-14-19/h5-12,19H,13-16H2,1-4H3,(H,23,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.60E+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/Q2862DX0
More data for this
Ligand-Target Pair