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BDBM78561 1-butyl-2-hydroxy-4-keto-N-(2-sulfamoylphenyl)quinoline-3-carboxamide::1-butyl-2-hydroxy-4-oxo-N-(2-sulfamoylphenyl)-3-quinolinecarboxamide::1-butyl-2-hydroxy-4-oxo-N-(2-sulfamoylphenyl)quinoline-3-carboxamide::1-butyl-2-oxidanyl-4-oxidanylidene-N-(2-sulfamoylphenyl)quinoline-3-carboxamide::MLS000061554::N-[2-(aminosulfonyl)phenyl]-1-butyl-4-hydroxy-2-oxo-1,2-dihydro-3-quinolinecarboxamide::SMR000069884::cid_1830937

SMILES: CCCCn1c2ccccc2c(O)c(C(=O)Nc2ccccc2S(N)(=O)=O)c1=O

InChI Key: InChIKey=UBZNZRWGZLEXFV-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 78561   
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
ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM78561
PNG
(1-butyl-2-hydroxy-4-keto-N-(2-sulfamoylphenyl)quin...)
Show SMILES CCCCn1c2ccccc2c(O)c(C(=O)Nc2ccccc2S(N)(=O)=O)c1=O
Show InChI InChI=1S/C20H21N3O5S/c1-2-3-12-23-15-10-6-4-8-13(15)18(24)17(20(23)26)19(25)22-14-9-5-7-11-16(14)29(21,27)28/h4-11,24H,2-3,12H2,1H3,(H,22,25)(H2,21,27,28)
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PC cid
PC sid
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PCBioAssay
n/an/a 1.55E+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/Q2X34VX0
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM78561
PNG
(1-butyl-2-hydroxy-4-keto-N-(2-sulfamoylphenyl)quin...)
Show SMILES CCCCn1c2ccccc2c(O)c(C(=O)Nc2ccccc2S(N)(=O)=O)c1=O
Show InChI InChI=1S/C20H21N3O5S/c1-2-3-12-23-15-10-6-4-8-13(15)18(24)17(20(23)26)19(25)22-14-9-5-7-11-16(14)29(21,27)28/h4-11,24H,2-3,12H2,1H3,(H,22,25)(H2,21,27,28)
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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/Q2SB4462
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM78561
PNG
(1-butyl-2-hydroxy-4-keto-N-(2-sulfamoylphenyl)quin...)
Show SMILES CCCCn1c2ccccc2c(O)c(C(=O)Nc2ccccc2S(N)(=O)=O)c1=O
Show InChI InChI=1S/C20H21N3O5S/c1-2-3-12-23-15-10-6-4-8-13(15)18(24)17(20(23)26)19(25)22-14-9-5-7-11-16(14)29(21,27)28/h4-11,24H,2-3,12H2,1H3,(H,22,25)(H2,21,27,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 2.02E+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/Q25D8Q92
More data for this
Ligand-Target Pair