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BDBM68098 6-(butylsulfamoyl)-N-cyclopentyl-2-(3-pyridinyl)-4-quinolinecarboxamide::6-(butylsulfamoyl)-N-cyclopentyl-2-(3-pyridyl)cinchoninamide::6-(butylsulfamoyl)-N-cyclopentyl-2-pyridin-3-yl-quinoline-4-carboxamide::6-(butylsulfamoyl)-N-cyclopentyl-2-pyridin-3-ylquinoline-4-carboxamide::6-[(butylamino)sulfonyl]-N-cyclopentyl-2-pyridin-3-ylquinoline-4-carboxamide::MLS000673765::SMR000315006::cid_16189394

SMILES: CCCCNS(=O)(=O)c1ccc2nc(cc(C(=O)NC3CCCC3)c2c1)-c1cccnc1

InChI Key: InChIKey=PRHIXZWYPCRLGJ-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 = 68098   
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
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM68098
PNG
(6-(butylsulfamoyl)-N-cyclopentyl-2-(3-pyridinyl)-4...)
Show SMILES CCCCNS(=O)(=O)c1ccc2nc(cc(C(=O)NC3CCCC3)c2c1)-c1cccnc1
Show InChI InChI=1S/C24H28N4O3S/c1-2-3-13-26-32(30,31)19-10-11-22-20(14-19)21(24(29)27-18-8-4-5-9-18)15-23(28-22)17-7-6-12-25-16-17/h6-7,10-12,14-16,18,26H,2-5,8-9,13H2,1H3,(H,27,29)
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
n/an/a 1.98E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2010)


Article DOI: 10.1021/bi400740x
BindingDB Entry DOI: 10.7270/Q2PC30VZ
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM68098
PNG
(6-(butylsulfamoyl)-N-cyclopentyl-2-(3-pyridinyl)-4...)
Show SMILES CCCCNS(=O)(=O)c1ccc2nc(cc(C(=O)NC3CCCC3)c2c1)-c1cccnc1
Show InChI InChI=1S/C24H28N4O3S/c1-2-3-13-26-32(30,31)19-10-11-22-20(14-19)21(24(29)27-18-8-4-5-9-18)15-23(28-22)17-7-6-12-25-16-17/h6-7,10-12,14-16,18,26H,2-5,8-9,13H2,1H3,(H,27,29)
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.98E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q28C9TQN
More data for this
Ligand-Target Pair
XBP1


(Homo sapiens (Human))
BDBM68098
PNG
(6-(butylsulfamoyl)-N-cyclopentyl-2-(3-pyridinyl)-4...)
Show SMILES CCCCNS(=O)(=O)c1ccc2nc(cc(C(=O)NC3CCCC3)c2c1)-c1cccnc1
Show InChI InChI=1S/C24H28N4O3S/c1-2-3-13-26-32(30,31)19-10-11-22-20(14-19)21(24(29)27-18-8-4-5-9-18)15-23(28-22)17-7-6-12-25-16-17/h6-7,10-12,14-16,18,26H,2-5,8-9,13H2,1H3,(H,27,29)
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2NK3CGB
More data for this
Ligand-Target Pair