BDBM50181821 CHEMBL202071::O-(p-trifluoromethyl)benzyl-tyramine

SMILES: NCCc1ccc(OCc2ccc(cc2)C(F)(F)F)cc1

InChI Key: InChIKey=WDYBTWXDYUCILG-UHFFFAOYSA-N

Data: 1 KI  2 IC50  2 EC50

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 5 hits for monomerid = 50181821   

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
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50181821 (CHEMBL202071 | O-(p-trifluoromethyl)benzyl-tyramin...) Show SMILES NCCc1ccc(OCc2ccc(cc2)C(F)(F)F)cc1 Show InChI InChI=1S/C16H16F3NO/c17-16(18,19)14-5-1-13(2-6-14)11-21-15-7-3-12(4-8-15)9-10-20/h1-8H,9-11,20H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yonsei University Curated by ChEMBL					Assay Description Competitive inhibition of recombinant human MAO-B using varying level of benzylamine substrate preincubated for 15 mins followed by substrate additio...				Bioorg Med Chem 26: 232-244 (2018) Article DOI: 10.1016/j.bmc.2017.11.036 BindingDB Entry DOI: 10.7270/Q2959M4S
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1) (Rattus norvegicus (Rat))	BDBM50181821 (CHEMBL202071 | O-(p-trifluoromethyl)benzyl-tyramin...) Show SMILES NCCc1ccc(OCc2ccc(cc2)C(F)(F)F)cc1 Show InChI InChI=1S/C16H16F3NO/c17-16(18,19)14-5-1-13(2-6-14)11-21-15-7-3-12(4-8-15)9-10-20/h1-8H,9-11,20H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	55	n/a	n/a	n/a	n/a
University of California at San Francisco Curated by ChEMBL					Assay Description Activity at rat TAAR1 by measuring cAMP accumulation in HEK293 cells				J Med Chem 49: 1101-12 (2006) Article DOI: 10.1021/jm0505718 BindingDB Entry DOI: 10.7270/Q2416WNR
					More data for this Ligand-Target Pair
Amine oxidase (flavin-containing) A (Homo sapiens (Human))	BDBM50181821 (CHEMBL202071 | O-(p-trifluoromethyl)benzyl-tyramin...) Show SMILES NCCc1ccc(OCc2ccc(cc2)C(F)(F)F)cc1 Show InChI InChI=1S/C16H16F3NO/c17-16(18,19)14-5-1-13(2-6-14)11-21-15-7-3-12(4-8-15)9-10-20/h1-8H,9-11,20H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Yonsei University Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-A using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by...				Bioorg Med Chem 26: 232-244 (2018) Article DOI: 10.1016/j.bmc.2017.11.036 BindingDB Entry DOI: 10.7270/Q2959M4S
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1) (Mus musculus (Mouse))	BDBM50181821 (CHEMBL202071 | O-(p-trifluoromethyl)benzyl-tyramin...) Show SMILES NCCc1ccc(OCc2ccc(cc2)C(F)(F)F)cc1 Show InChI InChI=1S/C16H16F3NO/c17-16(18,19)14-5-1-13(2-6-14)11-21-15-7-3-12(4-8-15)9-10-20/h1-8H,9-11,20H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	20.2	n/a	n/a	n/a	n/a
University of California at San Francisco Curated by ChEMBL					Assay Description Activity at mouse TAAR1 by measuring cAMP accumulation in HEK293 cells				J Med Chem 49: 1101-12 (2006) Article DOI: 10.1021/jm0505718 BindingDB Entry DOI: 10.7270/Q2416WNR
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50181821 (CHEMBL202071 | O-(p-trifluoromethyl)benzyl-tyramin...) Show SMILES NCCc1ccc(OCc2ccc(cc2)C(F)(F)F)cc1 Show InChI InChI=1S/C16H16F3NO/c17-16(18,19)14-5-1-13(2-6-14)11-21-15-7-3-12(4-8-15)9-10-20/h1-8H,9-11,20H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Yonsei University Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-B using benzylamine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins b...				Bioorg Med Chem 26: 232-244 (2018) Article DOI: 10.1016/j.bmc.2017.11.036 BindingDB Entry DOI: 10.7270/Q2959M4S
					More data for this Ligand-Target Pair