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BDBM348707 3-Cyclopropyl-4-methyl-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-1H-pyrazole-5-carboxamide::US9790230, Example 69

SMILES: C\C(C(=N)C1CC1)=C(\N)C(=O)Nc1ccc(cc1)[C@@H]1O[C@H]2CN[C@@H]1C2

InChI Key: InChIKey=AYCOUDZTWMJFNQ-JXRIHZTKSA-N

Data: 2 IC50

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

Found 2 hits for monomerid = 348707   
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
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM348707
PNG
(3-Cyclopropyl-4-methyl-N-[4-[(1R,3S,4R)-2-oxa-5-az...)
Show SMILES C\C(C(=N)C1CC1)=C(\N)C(=O)Nc1ccc(cc1)[C@@H]1O[C@H]2CN[C@@H]1C2 |r|
Show InChI InChI=1S/C19H24N4O2/c1-10(16(20)11-2-3-11)17(21)19(24)23-13-6-4-12(5-7-13)18-15-8-14(25-18)9-22-15/h4-7,11,14-15,18,20,22H,2-3,8-9,21H2,1H3,(H,23,24)/b17-10-,20-16?/t14-,15-,18+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 153n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-293 cells stably expressing mouse TAAR1 were maintained at 37° C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ...


US Patent US9790230 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T8R
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM348707
PNG
(3-Cyclopropyl-4-methyl-N-[4-[(1R,3S,4R)-2-oxa-5-az...)
Show SMILES C\C(C(=N)C1CC1)=C(\N)C(=O)Nc1ccc(cc1)[C@@H]1O[C@H]2CN[C@@H]1C2 |r|
Show InChI InChI=1S/C19H24N4O2/c1-10(16(20)11-2-3-11)17(21)19(24)23-13-6-4-12(5-7-13)18-15-8-14(25-18)9-22-15/h4-7,11,14-15,18,20,22H,2-3,8-9,21H2,1H3,(H,23,24)/b17-10-,20-16?/t14-,15-,18+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.60n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-293 cells stably expressing rat TAAR1 were maintained at 37° C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat in...


US Patent US9790230 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T8R
More data for this
Ligand-Target Pair