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BDBM250110 US10501411, Example 20::US9452980, 20

SMILES: Clc1cccc(c1)C(=O)Nc1ccc(cc1)C1CCNC1

InChI Key: InChIKey=OMWKYYJZUDVQJA-UHFFFAOYSA-N

Data: 4 KI

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 4 hits for monomerid = 250110   
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 (TAAR1)


(Mus musculus (Mouse))
BDBM250110
PNG
(US10501411, Example 20 | US9452980, 20)
Show SMILES Clc1cccc(c1)C(=O)Nc1ccc(cc1)C1CCNC1
Show InChI InChI=1S/C17H17ClN2O/c18-15-3-1-2-13(10-15)17(21)20-16-6-4-12(5-7-16)14-8-9-19-11-14/h1-7,10,14,19H,8-9,11H2,(H,20,21)
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KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.5 -13.2n/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))
BDBM250110
PNG
(US10501411, Example 20 | US9452980, 20)
Show SMILES Clc1cccc(c1)C(=O)Nc1ccc(cc1)C1CCNC1
Show InChI InChI=1S/C17H17ClN2O/c18-15-3-1-2-13(10-15)17(21)20-16-6-4-12(5-7-16)14-8-9-19-11-14/h1-7,10,14,19H,8-9,11H2,(H,20,21)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.5n/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))
BDBM250110
PNG
(US10501411, Example 20 | US9452980, 20)
Show SMILES Clc1cccc(c1)C(=O)Nc1ccc(cc1)C1CCNC1
Show InChI InChI=1S/C17H17ClN2O/c18-15-3-1-2-13(10-15)17(21)20-16-6-4-12(5-7-16)14-8-9-19-11-14/h1-7,10,14,19H,8-9,11H2,(H,20,21)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
7.70n/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))
BDBM250110
PNG
(US10501411, Example 20 | US9452980, 20)
Show SMILES Clc1cccc(c1)C(=O)Nc1ccc(cc1)C1CCNC1
Show InChI InChI=1S/C17H17ClN2O/c18-15-3-1-2-13(10-15)17(21)20-16-6-4-12(5-7-16)14-8-9-19-11-14/h1-7,10,14,19H,8-9,11H2,(H,20,21)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
7.70 -11.5n/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