BDBM119191 US8673950, 58

SMILES: CCC(CC)c1cnc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)nc1

InChI Key: InChIKey=GIDJTLHYVDKSLR-SFHVURJKSA-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 = 119191   

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 (TAAR1) (Rattus norvegicus (Rat))	BDBM119191 (US8673950, 58) Show SMILES CCC(CC)c1cnc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)nc1 |r,c:20| Show InChI InChI=1S/C20H27N5O/c1-3-15(4-2)16-11-22-20(23-12-16)25-17-8-5-14(6-9-17)7-10-18-13-26-19(21)24-18/h5-6,8-9,11-12,15,18H,3-4,7,10,13H2,1-2H3,(H2,21,24)(H,22,23,25)/t18-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-LaRoche Inc. US Patent					Assay Description 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 concentration...				US Patent US8673950 (2014) BindingDB Entry DOI: 10.7270/Q29S1PQD
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1) (Mus musculus (Mouse))	BDBM119191 (US8673950, 58) Show SMILES CCC(CC)c1cnc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)nc1 |r,c:20| Show InChI InChI=1S/C20H27N5O/c1-3-15(4-2)16-11-22-20(23-12-16)25-17-8-5-14(6-9-17)7-10-18-13-26-19(21)24-18/h5-6,8-9,11-12,15,18H,3-4,7,10,13H2,1-2H3,(H2,21,24)(H,22,23,25)/t18-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-LaRoche Inc. US Patent					Assay Description 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 concentration...				US Patent US8673950 (2014) BindingDB Entry DOI: 10.7270/Q29S1PQD
					More data for this Ligand-Target Pair