BDBM50045642 3-[1-(4-Chloro-benzyl)-3-methylsulfanyl-5-(5-phenyl-pyridin-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethyl-propionic acid::CHEMBL96259

SMILES: CSc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc(cn3)-c3ccccc3)cc12

InChI Key: InChIKey=WLNOLZDPUZYGMV-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50045642   

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))	BDBM50045642 (3-[1-(4-Chloro-benzyl)-3-methylsulfanyl-5-(5-pheny...) Show SMILES CSc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc(cn3)-c3ccccc3)cc12 Show InChI InChI=1S/C33H31ClN2O3S/c1-33(2,32(37)38)18-30-31(40-3)28-17-27(15-16-29(28)36(30)20-22-9-12-25(34)13-10-22)39-21-26-14-11-24(19-35-26)23-7-5-4-6-8-23/h4-17,19H,18,20-21H2,1-3H3,(H,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description In vitro inhibition of LTB4 biosynthesis in [Ca2+]-ionophore-activated human polymorphonuclear leukocytes				J Med Chem 36: 2771-87 (1993) BindingDB Entry DOI: 10.7270/Q28914XB
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Rattus norvegicus)	BDBM50045642 (3-[1-(4-Chloro-benzyl)-3-methylsulfanyl-5-(5-pheny...) Show SMILES CSc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc(cn3)-c3ccccc3)cc12 Show InChI InChI=1S/C33H31ClN2O3S/c1-33(2,32(37)38)18-30-31(40-3)28-17-27(15-16-29(28)36(30)20-22-9-12-25(34)13-10-22)39-21-26-14-11-24(19-35-26)23-7-5-4-6-8-23/h4-17,19H,18,20-21H2,1-3H3,(H,37,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description In vitro test for inhibition of 5-lipoxygenase in cell-free preparations from rat PMN leukocytes				J Med Chem 36: 2771-87 (1993) BindingDB Entry DOI: 10.7270/Q28914XB
					More data for this Ligand-Target Pair