BDBM50214651 1-(2,6-dichloro-4-trifluoromethylphenyl)-4-hydroxymethyl-5-n-propyl-1H-1,2,3-triazole::CHEMBL235407

SMILES: CCCc1c(CO)nnn1-c1c(Cl)cc(cc1Cl)C(F)(F)F

InChI Key: InChIKey=CWUCKIADERNOQA-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 = 50214651   

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))	BDBM50214651 (1-(2,6-dichloro-4-trifluoromethylphenyl)-4-hydroxy...) Show SMILES CCCc1c(CO)nnn1-c1c(Cl)cc(cc1Cl)C(F)(F)F |(13.9,-27.78,;14.38,-26.31,;13.35,-25.17,;13.83,-23.7,;15.3,-23.23,;16.54,-24.14,;16.38,-25.67,;15.3,-21.69,;13.83,-21.21,;12.93,-22.46,;11.39,-22.45,;10.63,-23.79,;11.41,-25.12,;9.1,-23.79,;8.32,-22.45,;9.09,-21.12,;10.63,-21.12,;11.41,-19.79,;6.78,-22.45,;5.23,-22.52,;6.75,-20.91,;6.83,-23.99,)| Show InChI InChI=1S/C13H12Cl2F3N3O/c1-2-3-11-10(6-22)19-20-21(11)12-8(14)4-7(5-9(12)15)13(16,17)18/h4-5,22H,2-3,6H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	345	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))	BDBM50214651 (1-(2,6-dichloro-4-trifluoromethylphenyl)-4-hydroxy...) Show SMILES CCCc1c(CO)nnn1-c1c(Cl)cc(cc1Cl)C(F)(F)F |(13.9,-27.78,;14.38,-26.31,;13.35,-25.17,;13.83,-23.7,;15.3,-23.23,;16.54,-24.14,;16.38,-25.67,;15.3,-21.69,;13.83,-21.21,;12.93,-22.46,;11.39,-22.45,;10.63,-23.79,;11.41,-25.12,;9.1,-23.79,;8.32,-22.45,;9.09,-21.12,;10.63,-21.12,;11.41,-19.79,;6.78,-22.45,;5.23,-22.52,;6.75,-20.91,;6.83,-23.99,)| Show InChI InChI=1S/C13H12Cl2F3N3O/c1-2-3-11-10(6-22)19-20-21(11)12-8(14)4-7(5-9(12)15)13(16,17)18/h4-5,22H,2-3,6H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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