BDBM50304901 (S)-3-(5-((1-acetylindolin-2-yl)methoxy)-3-(tert-butylthio)-1-(4-(5-methoxypyridin-2-yl)benzyl)-1H-indol-2-yl)-2,2-dimethylpropanoic acid::CHEMBL610474

SMILES: COc1ccc(nc1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OC[C@@H]4Cc5ccccc5N4C(C)=O)ccc23)cc1

InChI Key: InChIKey=PNRYTEARGINAOS-PMERELPUSA-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 = 50304901   

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))	BDBM50304901 ((S)-3-(5-((1-acetylindolin-2-yl)methoxy)-3-(tert-b...) Show SMILES COc1ccc(nc1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OC[C@@H]4Cc5ccccc5N4C(C)=O)ccc23)cc1 |r| Show InChI InChI=1S/C41H45N3O5S/c1-26(45)44-30(20-29-10-8-9-11-35(29)44)25-49-31-17-19-36-33(21-31)38(50-40(2,3)4)37(22-41(5,6)39(46)47)43(36)24-27-12-14-28(15-13-27)34-18-16-32(48-7)23-42-34/h8-19,21,23,30H,20,22,24-25H2,1-7H3,(H,46,47)/t30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Amira Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to FLAP in human PMN derived membrane				Bioorg Med Chem Lett 20: 213-7 (2010) Article DOI: 10.1016/j.bmcl.2009.10.131 BindingDB Entry DOI: 10.7270/Q2MW2H78
					More data for this Ligand-Target Pair