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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 346.4
BDBM80583
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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-3G


(Homo sapiens (Human))
BDBM80583
PNG
(2-(3-Cyclopropanecarbonyl-indol-1-yl)-N-(2,5-dimet...)
Show SMILES Cc1ccc(C)c(NC(=O)Cn2cc(C(=O)C3CC3)c3ccccc23)c1
Show InChI InChI=1S/C22H22N2O2/c1-14-7-8-15(2)19(11-14)23-21(25)13-24-12-18(22(26)16-9-10-16)17-5-3-4-6-20(17)24/h3-8,11-12,16H,9-10,13H2,1-2H3,(H,23,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.11E+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
DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM80583
PNG
(2-(3-Cyclopropanecarbonyl-indol-1-yl)-N-(2,5-dimet...)
Show SMILES Cc1ccc(C)c(NC(=O)Cn2cc(C(=O)C3CC3)c3ccccc23)c1
Show InChI InChI=1S/C22H22N2O2/c1-14-7-8-15(2)19(11-14)23-21(25)13-24-12-18(22(26)16-9-10-16)17-5-3-4-6-20(17)24/h3-8,11-12,16H,9-10,13H2,1-2H3,(H,23,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.88E+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