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BDBM42430 MLS000572564::N-[3-(diisobutylamino)-2-hydroxy-propyl]-N-(2-methoxy-5-nitro-phenyl)benzenesulfonamide::N-[3-(diisobutylamino)-2-hydroxypropyl]-N-(2-methoxy-5-nitrophenyl)benzenesulfonamide::N-[3-[bis(2-methylpropyl)amino]-2-hydroxypropyl]-N-(2-methoxy-5-nitrophenyl)benzenesulfonamide::N-[3-[bis(2-methylpropyl)amino]-2-oxidanyl-propyl]-N-(2-methoxy-5-nitro-phenyl)benzenesulfonamide::SMR000194063::cid_2884390

SMILES: COc1ccc(cc1N(CC(O)CN(CC(C)C)CC(C)C)S(=O)(=O)c1ccccc1)[N+]([O-])=O

InChI Key: InChIKey=SZICYTQLNSXHIM-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 42430   
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
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM42430
PNG
(MLS000572564 | N-[3-(diisobutylamino)-2-hydroxy-pr...)
Show SMILES COc1ccc(cc1N(CC(O)CN(CC(C)C)CC(C)C)S(=O)(=O)c1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C24H35N3O6S/c1-18(2)14-25(15-19(3)4)16-21(28)17-26(34(31,32)22-9-7-6-8-10-22)23-13-20(27(29)30)11-12-24(23)33-5/h6-13,18-19,21,28H,14-17H2,1-5H3
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a>3.50E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2V1235Z
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM42430
PNG
(MLS000572564 | N-[3-(diisobutylamino)-2-hydroxy-pr...)
Show SMILES COc1ccc(cc1N(CC(O)CN(CC(C)C)CC(C)C)S(=O)(=O)c1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C24H35N3O6S/c1-18(2)14-25(15-19(3)4)16-21(28)17-26(34(31,32)22-9-7-6-8-10-22)23-13-20(27(29)30)11-12-24(23)33-5/h6-13,18-19,21,28H,14-17H2,1-5H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>3.50E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2ZS2TWK
More data for this
Ligand-Target Pair