BDBM50080240 3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(2-quinolin-2-yl-ethyl)-1H-indol-2-yl]-2,2-dimethyl-propionic acid::CHEMBL81904

SMILES: CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(CCc3ccc4ccccc4n3)cc12

InChI Key: InChIKey=MNIOAJOGMPCWHE-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50080240   

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
5-lipoxygenase/FLAP (Homo sapiens (Human))	BDBM50080240 (3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(2-q...) Show SMILES CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(CCc3ccc4ccccc4n3)cc12 Show InChI InChI=1S/C35H37ClN2O2S/c1-34(2,3)41-32-28-20-23(12-17-27-18-14-25-8-6-7-9-29(25)37-27)13-19-30(28)38(22-24-10-15-26(36)16-11-24)31(32)21-35(4,5)33(39)40/h6-11,13-16,18-20H,12,17,21-22H2,1-5H3,(H,39,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Center for Therapeutic Research Curated by ChEMBL					Assay Description Measuring the affinity of leukotriene synthesis inhibitor for 5-lipoxygenase activating protein by using [125I]-L-691,831 as radioligand.				Bioorg Med Chem Lett 9: 2391-6 (1999) BindingDB Entry DOI: 10.7270/Q26T0KTJ
					More data for this Ligand-Target Pair