BDBM96930 2-[(4S,5R)-5-(2-bromophenyl)-4-methyl-4,5,7,8-tetrahydrotriazolo[1,5-d][1,4]oxazepin-3-yl]acetic acid methyl ester::MLS003842904::SMR002515619::cid_56588566::methyl 2-[(4S,5R)-5-(2-bromophenyl)-4-methyl-4,5,7,8-tetrahydro-[1,2,3]triazolo[1,5-d][1,4]oxazepin-3-yl]ethanoate::methyl 2-[(4S,5R)-5-(2-bromophenyl)-4-methyl-4,5,7,8-tetrahydrotriazolo[1,5-d][1,4]oxazepin-3-yl]acetate

SMILES: COC(=O)Cc1nnn2CCO[C@H]([C@@H](C)c12)c1ccccc1Br

InChI Key: InChIKey=KJRCJRSCHYTGLO-MGPLVRAMSA-N

Data: 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 4 hits for monomerid = 96930   

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 (Homo sapiens (Human))	BDBM96930 (2-[(4S,5R)-5-(2-bromophenyl)-4-methyl-4,5,7,8-tetr...) Show SMILES COC(=O)Cc1nnn2CCO[C@H]([C@@H](C)c12)c1ccccc1Br Show InChI InChI=1S/C16H18BrN3O3/c1-10-15-13(9-14(21)22-2)18-19-20(15)7-8-23-16(10)11-5-3-4-6-12(11)17/h3-6,10,16H,7-9H2,1-2H3/t10-,16+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	>2.99E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q20G3HS3
					More data for this Ligand-Target Pair
trace amine-associated receptor 1 (Homo sapiens (Human))	BDBM96930 (2-[(4S,5R)-5-(2-bromophenyl)-4-methyl-4,5,7,8-tetr...) Show SMILES COC(=O)Cc1nnn2CCO[C@H]([C@@H](C)c12)c1ccccc1Br Show InChI InChI=1S/C16H18BrN3O3/c1-10-15-13(9-14(21)22-2)18-19-20(15)7-8-23-16(10)11-5-3-4-6-12(11)17/h3-6,10,16H,7-9H2,1-2H3/t10-,16+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2BR8QSB
					More data for this Ligand-Target Pair
G-protein subunit alpha-16 (Homo sapiens (Human))	BDBM96930 (2-[(4S,5R)-5-(2-bromophenyl)-4-methyl-4,5,7,8-tetr...) Show SMILES COC(=O)Cc1nnn2CCO[C@H]([C@@H](C)c12)c1ccccc1Br Show InChI InChI=1S/C16H18BrN3O3/c1-10-15-13(9-14(21)22-2)18-19-20(15)7-8-23-16(10)11-5-3-4-6-12(11)17/h3-6,10,16H,7-9H2,1-2H3/t10-,16+/m0/s1	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	>2.99E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2M61HV2
					More data for this Ligand-Target Pair
G-protein subunit alpha-16 (Homo sapiens (Human))	BDBM96930 (2-[(4S,5R)-5-(2-bromophenyl)-4-methyl-4,5,7,8-tetr...) Show SMILES COC(=O)Cc1nnn2CCO[C@H]([C@@H](C)c12)c1ccccc1Br Show InChI InChI=1S/C16H18BrN3O3/c1-10-15-13(9-14(21)22-2)18-19-20(15)7-8-23-16(10)11-5-3-4-6-12(11)17/h3-6,10,16H,7-9H2,1-2H3/t10-,16+/m0/s1	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>2.99E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2VQ3196
					More data for this Ligand-Target Pair