BDBM50214664 5-chloromethyl-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-n-propyl-1H-1,2,3-triazole::CHEMBL235623

SMILES: CCCc1nnn(c1CCl)-c1c(Cl)cc(cc1Cl)C(F)(F)F

InChI Key: InChIKey=FXXAEVWLAOMRSI-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 = 50214664   

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
Gamma-aminobutyric acid receptor subunit beta-3 (Homo sapiens (Human))	BDBM50214664 (5-chloromethyl-1-(2,6-dichloro-4-trifluoromethylph...) Show SMILES CCCc1nnn(c1CCl)-c1c(Cl)cc(cc1Cl)C(F)(F)F |(32.44,-26.02,;31.19,-25.11,;31.36,-23.58,;30.11,-22.67,;30.12,-21.13,;28.65,-20.65,;27.75,-21.9,;28.65,-23.14,;28.17,-24.61,;29.2,-25.75,;26.21,-21.89,;25.45,-23.23,;26.22,-24.56,;23.91,-23.23,;23.14,-21.89,;23.91,-20.56,;25.45,-20.56,;26.22,-19.23,;21.6,-21.89,;20.04,-21.96,;21.56,-20.35,;21.65,-23.43,)| Show InChI InChI=1S/C13H11Cl3F3N3/c1-2-3-10-11(6-14)22(21-20-10)12-8(15)4-7(5-9(12)16)13(17,18)19/h4-5H,2-3,6H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.659	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
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50214664 (5-chloromethyl-1-(2,6-dichloro-4-trifluoromethylph...) Show SMILES CCCc1nnn(c1CCl)-c1c(Cl)cc(cc1Cl)C(F)(F)F |(32.44,-26.02,;31.19,-25.11,;31.36,-23.58,;30.11,-22.67,;30.12,-21.13,;28.65,-20.65,;27.75,-21.9,;28.65,-23.14,;28.17,-24.61,;29.2,-25.75,;26.21,-21.89,;25.45,-23.23,;26.22,-24.56,;23.91,-23.23,;23.14,-21.89,;23.91,-20.56,;25.45,-20.56,;26.22,-19.23,;21.6,-21.89,;20.04,-21.96,;21.56,-20.35,;21.65,-23.43,)| Show InChI InChI=1S/C13H11Cl3F3N3/c1-2-3-10-11(6-14)22(21-20-10)12-8(15)4-7(5-9(12)16)13(17,18)19/h4-5H,2-3,6H2,1H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	266	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