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BDBM250131 US10501411, Example 41::US9452980, 41

SMILES: CC1(CCNC1)c1ccc(NC(=O)c2ccccc2)cc1

InChI Key: InChIKey=ORZAKNIXVRBZPG-UHFFFAOYSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 250131   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM250131
PNG
(US10501411, Example 41 | US9452980, 41)
Show SMILES CC1(CCNC1)c1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C18H20N2O/c1-18(11-12-19-13-18)15-7-9-16(10-8-15)20-17(21)14-5-3-2-4-6-14/h2-10,19H,11-13H2,1H3,(H,20,21)
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KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
2.98E+3 -7.84n/an/an/an/an/a7.437



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%, hea...


US Patent US9452980 (2016)


BindingDB Entry DOI: 10.7270/Q2X63KVF
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM250131
PNG
(US10501411, Example 41 | US9452980, 41)
Show SMILES CC1(CCNC1)c1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C18H20N2O/c1-18(11-12-19-13-18)15-7-9-16(10-8-15)20-17(21)14-5-3-2-4-6-14/h2-10,19H,11-13H2,1H3,(H,20,21)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
2.98E+3n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Rat: The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentr...


US Patent US10501411 (2019)


BindingDB Entry DOI: 10.7270/Q27S7R5Q
More data for this
Ligand-Target Pair