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BDBM37635 MLS000028382::SCOPOLAMINE METHYL NITRATE::SMR000058604::cid_657297

SMILES: [O-][N+]([O-])=O.[H][C@]12CC(C[C@]([H])([C@H]3O[C@@H]13)[N+]2(C)C)OC(=O)[C@H](CO)c1ccccc1

InChI Key: InChIKey=BSQIVYOSLFLSGE-OZVSTBQFSA-N

Data: 2 KI  2 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 4 hits for monomerid = 37635   
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
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM37635
PNG
(MLS000028382 | SCOPOLAMINE METHYL NITRATE | SMR000...)
Show SMILES [O-][N+]([O-])=O.[H][C@]12CC(C[C@]([H])([C@H]3O[C@@H]13)[N+]2(C)C)OC(=O)[C@H](CO)c1ccccc1 |TLB:12:13:14:8.6.7,THB:12:11:14:8.6.7|
Show InChI InChI=1S/C18H24NO4.NO3/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11;2-1(3)4/h3-7,12-17,20H,8-10H2,1-2H3;/q+1;-1/t12?,13-,14-,15+,16-,17+;/m1./s1
PDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
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PC cid
PC sid
UniChem

Similars

PCBioAssay
>4.03E+4n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph....


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2DF6PMF
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM37635
PNG
(MLS000028382 | SCOPOLAMINE METHYL NITRATE | SMR000...)
Show SMILES [O-][N+]([O-])=O.[H][C@]12CC(C[C@]([H])([C@H]3O[C@@H]13)[N+]2(C)C)OC(=O)[C@H](CO)c1ccccc1 |TLB:12:13:14:8.6.7,THB:12:11:14:8.6.7|
Show InChI InChI=1S/C18H24NO4.NO3/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11;2-1(3)4/h3-7,12-17,20H,8-10H2,1-2H3;/q+1;-1/t12?,13-,14-,15+,16-,17+;/m1./s1
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PC sid
UniChem

Similars

PCBioAssay
>4.37E+4n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2NZ862K
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM37635
PNG
(MLS000028382 | SCOPOLAMINE METHYL NITRATE | SMR000...)
Show SMILES [O-][N+]([O-])=O.[H][C@]12CC(C[C@]([H])([C@H]3O[C@@H]13)[N+]2(C)C)OC(=O)[C@H](CO)c1ccccc1 |TLB:12:13:14:8.6.7,THB:12:11:14:8.6.7|
Show InChI InChI=1S/C18H24NO4.NO3/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11;2-1(3)4/h3-7,12-17,20H,8-10H2,1-2H3;/q+1;-1/t12?,13-,14-,15+,16-,17+;/m1./s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>6.67E+4n/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph....


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2DF6PMF
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM37635
PNG
(MLS000028382 | SCOPOLAMINE METHYL NITRATE | SMR000...)
Show SMILES [O-][N+]([O-])=O.[H][C@]12CC(C[C@]([H])([C@H]3O[C@@H]13)[N+]2(C)C)OC(=O)[C@H](CO)c1ccccc1 |TLB:12:13:14:8.6.7,THB:12:11:14:8.6.7|
Show InChI InChI=1S/C18H24NO4.NO3/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11;2-1(3)4/h3-7,12-17,20H,8-10H2,1-2H3;/q+1;-1/t12?,13-,14-,15+,16-,17+;/m1./s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>6.67E+4n/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2J67FB5
More data for this
Ligand-Target Pair