BDBM50138750 3-(4-Chloro-phenyl)-5-methylsulfanyl-[1,2,4]triazole-1-carboxylic acid dimethylamide::3-(4-chlorophenyl)-N,N-dimethyl-5-(methylthio)-1H-1,2,4-triazole-1-carboxamide::CHEMBL130098

SMILES: CSc1nc(nn1C(=O)N(C)C)-c1ccc(Cl)cc1

InChI Key: InChIKey=BCRUIWHBJPICOM-UHFFFAOYSA-N

Data: 4 IC50

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 = 50138750   

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
Cholinesterases (Homo sapiens (Human))	BDBM50138750 (3-(4-Chloro-phenyl)-5-methylsulfanyl-[1,2,4]triazo...) Show SMILES CSc1nc(nn1C(=O)N(C)C)-c1ccc(Cl)cc1 Show InChI InChI=1S/C12H13ClN4OS/c1-16(2)12(18)17-11(19-3)14-10(15-17)8-4-6-9(13)7-5-8/h4-7H,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Inhibitory concentration against butyrylcholinesterase.				J Med Chem 47: 400-10 (2004) Article DOI: 10.1021/jm031004s BindingDB Entry DOI: 10.7270/Q2ZG6RN1
					More data for this Ligand-Target Pair
Hormone-sensitive lipase (HSL) (Rattus norvegicus (Rat))	BDBM50138750 (3-(4-Chloro-phenyl)-5-methylsulfanyl-[1,2,4]triazo...) Show SMILES CSc1nc(nn1C(=O)N(C)C)-c1ccc(Cl)cc1 Show InChI InChI=1S/C12H13ClN4OS/c1-16(2)12(18)17-11(19-3)14-10(15-17)8-4-6-9(13)7-5-8/h4-7H,1-3H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.353	n/a	n/a	n/a	n/a	n/a	n/a
University of Jordan Curated by ChEMBL					Assay Description Inhibition of HSL in Wistar rat isolated fat cells by spectrophotometric assay				J Med Chem 51: 6478-94 (2008) Article DOI: 10.1021/jm800718k BindingDB Entry DOI: 10.7270/Q23778KJ
					More data for this Ligand-Target Pair
Hormone-sensitive lipase (HSL) (Homo sapiens (Human))	BDBM50138750 (3-(4-Chloro-phenyl)-5-methylsulfanyl-[1,2,4]triazo...) Show SMILES CSc1nc(nn1C(=O)N(C)C)-c1ccc(Cl)cc1 Show InChI InChI=1S/C12H13ClN4OS/c1-16(2)12(18)17-11(19-3)14-10(15-17)8-4-6-9(13)7-5-8/h4-7H,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Inhibition of hormone sensitive lipase (HSL).				J Med Chem 47: 400-10 (2004) Article DOI: 10.1021/jm031004s BindingDB Entry DOI: 10.7270/Q2ZG6RN1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50138750 (3-(4-Chloro-phenyl)-5-methylsulfanyl-[1,2,4]triazo...) Show SMILES CSc1nc(nn1C(=O)N(C)C)-c1ccc(Cl)cc1 Show InChI InChI=1S/C12H13ClN4OS/c1-16(2)12(18)17-11(19-3)14-10(15-17)8-4-6-9(13)7-5-8/h4-7H,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Inhibitory concentration against acetylcholinesterase				J Med Chem 47: 400-10 (2004) Article DOI: 10.1021/jm031004s BindingDB Entry DOI: 10.7270/Q2ZG6RN1
					More data for this Ligand-Target Pair