BDBM50214665 1-(2,6-dibromo-4-trifluoromethylphenyl)-5-methyl-4-n-propyl-1H-1,2,3-triazole::CHEMBL396305

SMILES: CCCc1nnn(c1C)-c1c(Br)cc(cc1Br)C(F)(F)F

InChI Key: InChIKey=QJMNBCZNCXOESN-UHFFFAOYSA-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 = 50214665   

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
GABA receptor beta-3 subunit (Homo sapiens (Human))	BDBM50214665 (1-(2,6-dibromo-4-trifluoromethylphenyl)-5-methyl-4...) Show SMILES CCCc1nnn(c1C)-c1c(Br)cc(cc1Br)C(F)(F)F |(32.3,-8.5,;31.05,-7.59,;31.22,-6.06,;29.97,-5.15,;29.98,-3.61,;28.51,-3.13,;27.61,-4.38,;28.51,-5.63,;28.03,-7.09,;26.07,-4.38,;25.31,-5.71,;26.08,-7.04,;23.77,-5.71,;23,-4.37,;23.77,-3.04,;25.31,-3.04,;26.08,-1.71,;21.46,-4.38,;19.9,-4.44,;21.42,-2.84,;21.51,-5.91,)| Show InChI InChI=1S/C13H12Br2F3N3/c1-3-4-11-7(2)21(20-19-11)12-9(14)5-8(6-10(12)15)13(16,17)18/h5-6H,3-4H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shimane University Curated by ChEMBL					Assay Description Displacement of [3H]EBOB from human recombinant GABAbeta3 receptor expressed in HEK293 cells				Bioorg Med Chem 15: 5090-104 (2007) Article DOI: 10.1016/j.bmc.2007.05.039 BindingDB Entry DOI: 10.7270/Q2K64HS0
					More data for this Ligand-Target Pair
GABA receptor alpha-2/beta-2/gamma-2 subunit (Homo sapiens (Human))	BDBM50214665 (1-(2,6-dibromo-4-trifluoromethylphenyl)-5-methyl-4...) Show SMILES CCCc1nnn(c1C)-c1c(Br)cc(cc1Br)C(F)(F)F |(32.3,-8.5,;31.05,-7.59,;31.22,-6.06,;29.97,-5.15,;29.98,-3.61,;28.51,-3.13,;27.61,-4.38,;28.51,-5.63,;28.03,-7.09,;26.07,-4.38,;25.31,-5.71,;26.08,-7.04,;23.77,-5.71,;23,-4.37,;23.77,-3.04,;25.31,-3.04,;26.08,-1.71,;21.46,-4.38,;19.9,-4.44,;21.42,-2.84,;21.51,-5.91,)| Show InChI InChI=1S/C13H12Br2F3N3/c1-3-4-11-7(2)21(20-19-11)12-9(14)5-8(6-10(12)15)13(16,17)18/h5-6H,3-4H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>915	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shimane University Curated by ChEMBL					Assay Description Displacement of [3H]EBOB from human recombinant GABA alpha-1-beta-2-gamma-2 receptor expressed in HEK293 cells				Bioorg Med Chem 15: 5090-104 (2007) Article DOI: 10.1016/j.bmc.2007.05.039 BindingDB Entry DOI: 10.7270/Q2K64HS0
					More data for this Ligand-Target Pair