BDBM50339577 4-[2'-(2-Chloro-5-trifluoromethyl-phenoxymethyl)-biphenyl-4-yl]-1-(3-phenyl-propyl)-1H-[1,2,3]triazole::CHEMBL1688770

SMILES: FC(F)(F)c1ccc(Cl)c(OCc2ccccc2-c2ccc(cc2)-c2cn(CCCc3ccccc3)nn2)c1

InChI Key: InChIKey=AZAUZIIJMGBZFF-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 = 50339577   

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
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50339577 (4-[2'-(2-Chloro-5-trifluoromethyl-phenoxymethyl)-b...) Show SMILES FC(F)(F)c1ccc(Cl)c(OCc2ccccc2-c2ccc(cc2)-c2cn(CCCc3ccccc3)nn2)c1 Show InChI InChI=1S/C31H25ClF3N3O/c32-28-17-16-26(31(33,34)35)19-30(28)39-21-25-10-4-5-11-27(25)23-12-14-24(15-13-23)29-20-38(37-36-29)18-6-9-22-7-2-1-3-8-22/h1-5,7-8,10-17,19-20H,6,9,18,21H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.80E+3	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
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50339577 (4-[2'-(2-Chloro-5-trifluoromethyl-phenoxymethyl)-b...) Show SMILES FC(F)(F)c1ccc(Cl)c(OCc2ccccc2-c2ccc(cc2)-c2cn(CCCc3ccccc3)nn2)c1 Show InChI InChI=1S/C31H25ClF3N3O/c32-28-17-16-26(31(33,34)35)19-30(28)39-21-25-10-4-5-11-27(25)23-12-14-24(15-13-23)29-20-38(37-36-29)18-6-9-22-7-2-1-3-8-22/h1-5,7-8,10-17,19-20H,6,9,18,21H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 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
Prostaglandin E synthase 2 (Homo sapiens (Human))	BDBM50339577 (4-[2'-(2-Chloro-5-trifluoromethyl-phenoxymethyl)-b...) Show SMILES FC(F)(F)c1ccc(Cl)c(OCc2ccccc2-c2ccc(cc2)-c2cn(CCCc3ccccc3)nn2)c1 Show InChI InChI=1S/C31H25ClF3N3O/c32-28-17-16-26(31(33,34)35)19-30(28)39-21-25-10-4-5-11-27(25)23-12-14-24(15-13-23)29-20-38(37-36-29)18-6-9-22-7-2-1-3-8-22/h1-5,7-8,10-17,19-20H,6,9,18,21H2	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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