Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Trace amine-associated receptor 1' and Ligand = 'BDBM122294'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM122294 (US8729113, 1) Show SMILES NC1=N[C@@H](CCOc2ccccc2)CO1 |r,t:1| Show InChI InChI=1S/C11H14N2O2/c12-11-13-9(8-15-11)6-7-14-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H2,12,13)/t9-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.70	-46.5	n/a	n/a	n/a	n/a	n/a	n/a	4
Hoffmann-La Roche Inc. US Patent					Assay Description Binding assay was performed at 4 C. in a final volume of 1 ml, and with an incubation time of 30 min. The radioligand [3H]-rac-2-(1,2,3,4-tetrahydro-...				US Patent US8729113 (2014) BindingDB Entry DOI: 10.7270/Q20Z71ZW
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Homo sapiens (Human))	BDBM122294 (US8729113, 1) Show SMILES NC1=N[C@@H](CCOc2ccccc2)CO1 |r,t:1| Show InChI InChI=1S/C11H14N2O2/c12-11-13-9(8-15-11)6-7-14-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H2,12,13)/t9-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Roche Innovation Center Basel Curated by ChEMBL					Assay Description Agonist activity at human TAAR1 expressed in recombinant HEK293 cells assessed as cAMP accumulation after 30 mins by luminometer				ACS Med Chem Lett 7: 192-7 (2016) Article DOI: 10.1021/acsmedchemlett.5b00449 BindingDB Entry DOI: 10.7270/Q2NP2687
					More data for this Ligand-Target Pair