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BDBM250296 US9452980, 206

SMILES: Clc1ccc(Oc2ccc(cc2)C(=O)Nc2ccc(cc2)C2CNCCO2)cc1

InChI Key: InChIKey=CCVZFKDILSQMAG-UHFFFAOYNA-N

Data: 2 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 2 hits for monomerid = 250296   
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)


(Rattus norvegicus (Rat))
BDBM250296
PNG
(US9452980, 206)
Show SMILES Clc1ccc(Oc2ccc(cc2)C(=O)Nc2ccc(cc2)C2CNCCO2)cc1
Show InChI InChI=1/C23H21ClN2O3/c24-18-5-11-21(12-6-18)29-20-9-3-17(4-10-20)23(27)26-19-7-1-16(2-8-19)22-15-25-13-14-28-22/h1-12,22,25H,13-15H2,(H,26,27)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
1.10 -12.7n/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
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM250296
PNG
(US9452980, 206)
Show SMILES Clc1ccc(Oc2ccc(cc2)C(=O)Nc2ccc(cc2)C2CNCCO2)cc1
Show InChI InChI=1/C23H21ClN2O3/c24-18-5-11-21(12-6-18)29-20-9-3-17(4-10-20)23(27)26-19-7-1-16(2-8-19)22-15-25-13-14-28-22/h1-12,22,25H,13-15H2,(H,26,27)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
2.60 -12.2n/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