BindingDB logo
myBDB logout

BDBM250096 US10501411, Example 6::US9452980, 6

SMILES: O=C(Nc1ccccc1)Nc1ccc(cc1)C1CCNC1

InChI Key: InChIKey=FILGYOAPMPEHCJ-UHFFFAOYSA-N

Data: 4 KI

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 = 250096   
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)


(Mus musculus (Mouse))
BDBM250096
PNG
(US10501411, Example 6 | US9452980, 6)
Show SMILES O=C(Nc1ccccc1)Nc1ccc(cc1)C1CCNC1
Show InChI InChI=1S/C17H19N3O/c21-17(19-15-4-2-1-3-5-15)20-16-8-6-13(7-9-16)14-10-11-18-12-14/h1-9,14,18H,10-12H2,(H2,19,20,21)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
3.20 -12.0n/an/an/an/an/a7.437



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%, h...


US Patent US9452980 (2016)


BindingDB Entry DOI: 10.7270/Q2X63KVF
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM250096
PNG
(US10501411, Example 6 | US9452980, 6)
Show SMILES O=C(Nc1ccccc1)Nc1ccc(cc1)C1CCNC1
Show InChI InChI=1S/C17H19N3O/c21-17(19-15-4-2-1-3-5-15)20-16-8-6-13(7-9-16)14-10-11-18-12-14/h1-9,14,18H,10-12H2,(H2,19,20,21)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
3.20n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Mouse: 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 concen...


US Patent US10501411 (2019)


BindingDB Entry DOI: 10.7270/Q27S7R5Q
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM250096
PNG
(US10501411, Example 6 | US9452980, 6)
Show SMILES O=C(Nc1ccccc1)Nc1ccc(cc1)C1CCNC1
Show InChI InChI=1S/C17H19N3O/c21-17(19-15-4-2-1-3-5-15)20-16-8-6-13(7-9-16)14-10-11-18-12-14/h1-9,14,18H,10-12H2,(H2,19,20,21)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
29.5n/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
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM250096
PNG
(US10501411, Example 6 | US9452980, 6)
Show SMILES O=C(Nc1ccccc1)Nc1ccc(cc1)C1CCNC1
Show InChI InChI=1S/C17H19N3O/c21-17(19-15-4-2-1-3-5-15)20-16-8-6-13(7-9-16)14-10-11-18-12-14/h1-9,14,18H,10-12H2,(H2,19,20,21)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
29.5 -10.7n/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