null

SMILES: NC1=N[C@@H](CCc2ccc(Nc3ccc(Cl)cc3)cc2)CO1

InChI Key: InChIKey=HDVHGPJHIRHTHK-INIZCTEOSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 119139   

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))	BDBM119139 (US8673950, 6) Show SMILES NC1=N[C@@H](CCc2ccc(Nc3ccc(Cl)cc3)cc2)CO1 |r,t:1| Show InChI InChI=1S/C17H18ClN3O/c18-13-4-9-15(10-5-13)20-14-6-1-12(2-7-14)3-8-16-11-22-17(19)21-16/h1-2,4-7,9-10,16,20H,3,8,11H2,(H2,19,21)/t16-/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 (Mus musculus (Mouse))	BDBM119139 (US8673950, 6) Show SMILES NC1=N[C@@H](CCc2ccc(Nc3ccc(Cl)cc3)cc2)CO1 |r,t:1| Show InChI InChI=1S/C17H18ClN3O/c18-13-4-9-15(10-5-13)20-14-6-1-12(2-7-14)3-8-16-11-22-17(19)21-16/h1-2,4-7,9-10,16,20H,3,8,11H2,(H2,19,21)/t16-/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