BDBM348730 3-Butyl-4-fluoro-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-111H-pyrazole-5-carboxamide::US9790230, Example 92

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

InChI Key: InChIKey=JPSZLBIFFDEQRC-SAUWETSHSA-N

Data: 2 IC50

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 = 348730   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Trace amine-associated receptor 1 (Rattus norvegicus (Rat))	BDBM348730 (3-Butyl-4-fluoro-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyc...) Show SMILES CCCCC(=N)C(\F)=C(/N)C(=O)Nc1ccc(cc1)[C@@H]1O[C@H]2CN[C@@H]1C2 |r| Show InChI InChI=1S/C19H25FN4O2/c1-2-3-4-14(21)16(20)17(22)19(25)24-12-7-5-11(6-8-12)18-15-9-13(26-18)10-23-15/h5-8,13,15,18,21,23H,2-4,9-10,22H2,1H3,(H,24,25)/b17-16+,21-14?/t13-,15-,18+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	87.9	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM348730 (3-Butyl-4-fluoro-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyc...) Show SMILES CCCCC(=N)C(\F)=C(/N)C(=O)Nc1ccc(cc1)[C@@H]1O[C@H]2CN[C@@H]1C2 |r| Show InChI InChI=1S/C19H25FN4O2/c1-2-3-4-14(21)16(20)17(22)19(25)24-12-7-5-11(6-8-12)18-15-9-13(26-18)10-23-15/h5-8,13,15,18,21,23H,2-4,9-10,22H2,1H3,(H,24,25)/b17-16+,21-14?/t13-,15-,18+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/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