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SMILES: CCN(Cc1ccccc1)S(=O)(=O)c1ccc(cc1)C(=O)N(CCCN(C)C)c1nc2cc3OCCOc3cc2s1

InChI Key: InChIKey=FXCHASBGXIINSJ-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 79138   
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
Bcl-2-related protein A1


(Mus musculus (Mouse))
BDBM79138
PNG
(4-[benzyl(ethyl)sulfamoyl]-N-(6,7-dihydro-[1,4]dio...)
Show SMILES CCN(Cc1ccccc1)S(=O)(=O)c1ccc(cc1)C(=O)N(CCCN(C)C)c1nc2cc3OCCOc3cc2s1
Show InChI InChI=1S/C30H34N4O5S2/c1-4-33(21-22-9-6-5-7-10-22)41(36,37)24-13-11-23(12-14-24)29(35)34(16-8-15-32(2)3)30-31-25-19-26-27(20-28(25)40-30)39-18-17-38-26/h5-7,9-14,19-20H,4,8,15-18,21H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>2.00E+4n/an/an/an/an/an/a



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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
Ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM79138
PNG
(4-[benzyl(ethyl)sulfamoyl]-N-(6,7-dihydro-[1,4]dio...)
Show SMILES CCN(Cc1ccccc1)S(=O)(=O)c1ccc(cc1)C(=O)N(CCCN(C)C)c1nc2cc3OCCOc3cc2s1
Show InChI InChI=1S/C30H34N4O5S2/c1-4-33(21-22-9-6-5-7-10-22)41(36,37)24-13-11-23(12-14-24)29(35)34(16-8-15-32(2)3)30-31-25-19-26-27(20-28(25)40-30)39-18-17-38-26/h5-7,9-14,19-20H,4,8,15-18,21H2,1-3H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.94E+3n/an/an/an/an/an/a



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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
Ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM79138
PNG
(4-[benzyl(ethyl)sulfamoyl]-N-(6,7-dihydro-[1,4]dio...)
Show SMILES CCN(Cc1ccccc1)S(=O)(=O)c1ccc(cc1)C(=O)N(CCCN(C)C)c1nc2cc3OCCOc3cc2s1
Show InChI InChI=1S/C30H34N4O5S2/c1-4-33(21-22-9-6-5-7-10-22)41(36,37)24-13-11-23(12-14-24)29(35)34(16-8-15-32(2)3)30-31-25-19-26-27(20-28(25)40-30)39-18-17-38-26/h5-7,9-14,19-20H,4,8,15-18,21H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.81E+3n/an/an/an/an/an/a



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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2X34VX0
More data for this
Ligand-Target Pair