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BDBM95279 1-[4-(Morpholine-4-sulfonyl)-phenyl]-piperidine-4-carboxylic acid benzo[1,3]dioxol-5-ylamide::MLS000889353::N-(1,3-benzodioxol-5-yl)-1-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide::N-(1,3-benzodioxol-5-yl)-1-(4-morpholinosulfonylphenyl)isonipecotamide::N-(1,3-benzodioxol-5-yl)-1-[4-(4-morpholinylsulfonyl)phenyl]-4-piperidinecarboxamide::SMR000007811::cid_649505

SMILES: O=C(Nc1ccc2OCOc2c1)C1CCN(CC1)c1ccc(cc1)S(=O)(=O)N1CCOCC1

InChI Key: InChIKey=KMOUVLZOJLLOTQ-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 = 95279   
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
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95279
PNG
(1-[4-(Morpholine-4-sulfonyl)-phenyl]-piperidine-4-...)
Show SMILES O=C(Nc1ccc2OCOc2c1)C1CCN(CC1)c1ccc(cc1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C23H27N3O6S/c27-23(24-18-1-6-21-22(15-18)32-16-31-21)17-7-9-25(10-8-17)19-2-4-20(5-3-19)33(28,29)26-11-13-30-14-12-26/h1-6,15,17H,7-14,16H2,(H,24,27)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PCBioAssay
n/an/a>6.70E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2KD1WJB
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95279
PNG
(1-[4-(Morpholine-4-sulfonyl)-phenyl]-piperidine-4-...)
Show SMILES O=C(Nc1ccc2OCOc2c1)C1CCN(CC1)c1ccc(cc1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C23H27N3O6S/c27-23(24-18-1-6-21-22(15-18)32-16-31-21)17-7-9-25(10-8-17)19-2-4-20(5-3-19)33(28,29)26-11-13-30-14-12-26/h1-6,15,17H,7-14,16H2,(H,24,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 5.52E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q29W0D3P
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95279
PNG
(1-[4-(Morpholine-4-sulfonyl)-phenyl]-piperidine-4-...)
Show SMILES O=C(Nc1ccc2OCOc2c1)C1CCN(CC1)c1ccc(cc1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C23H27N3O6S/c27-23(24-18-1-6-21-22(15-18)32-16-31-21)17-7-9-25(10-8-17)19-2-4-20(5-3-19)33(28,29)26-11-13-30-14-12-26/h1-6,15,17H,7-14,16H2,(H,24,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 4.17E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair