BDBM50339578 Benzoic acid 1-Phenylsulfanylmethyl-1H-[1,2,3]Triazol-4-ylmethyl Ester::CHEMBL1688767

SMILES: O=C(OCc1cn(CSc2ccccc2)nn1)c1ccccc1

InChI Key: InChIKey=ZCKKMLHAEFAROR-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50339578   

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
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50339578 (Benzoic acid 1-Phenylsulfanylmethyl-1H-[1,2,3]Tria...) Show SMILES O=C(OCc1cn(CSc2ccccc2)nn1)c1ccccc1 Show InChI InChI=1S/C17H15N3O2S/c21-17(14-7-3-1-4-8-14)22-12-15-11-20(19-18-15)13-23-16-9-5-2-6-10-16/h1-11H,12-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in human neutrophils				J Med Chem 54: 1565-75 (2011) Article DOI: 10.1021/jm101238d BindingDB Entry DOI: 10.7270/Q2SN098M
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50339578 (Benzoic acid 1-Phenylsulfanylmethyl-1H-[1,2,3]Tria...) Show SMILES O=C(OCc1cn(CSc2ccccc2)nn1)c1ccccc1 Show InChI InChI=1S/C17H15N3O2S/c21-17(14-7-3-1-4-8-14)22-12-15-11-20(19-18-15)13-23-16-9-5-2-6-10-16/h1-11H,12-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-lipooxygenase expressed in Escherichia coli MV1190 by cell free assay				J Med Chem 54: 1565-75 (2011) Article DOI: 10.1021/jm101238d BindingDB Entry DOI: 10.7270/Q2SN098M
					More data for this Ligand-Target Pair
Prostaglandin E synthase 2 (Homo sapiens (Human))	BDBM50339578 (Benzoic acid 1-Phenylsulfanylmethyl-1H-[1,2,3]Tria...) Show SMILES O=C(OCc1cn(CSc2ccccc2)nn1)c1ccccc1 Show InChI InChI=1S/C17H15N3O2S/c21-17(14-7-3-1-4-8-14)22-12-15-11-20(19-18-15)13-23-16-9-5-2-6-10-16/h1-11H,12-13H2	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of Prostaglandin E2 synthase-1 in IL-1beta stimulated microsomal fraction of human A549 cell assessed as PGE2 level by RP-HPLC				J Med Chem 54: 1565-75 (2011) Article DOI: 10.1021/jm101238d BindingDB Entry DOI: 10.7270/Q2SN098M
					More data for this Ligand-Target Pair