BDBM50383901 CHEMBL2031455

SMILES: COC(=O)c1ccc(OCc2ccc3ccccc3n2)cc1C1(CC(C)(C)C1)c1ccccc1

InChI Key: InChIKey=IOYFPEKFAQUWHT-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 = 50383901   

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))	BDBM50383901 (CHEMBL2031455) Show SMILES COC(=O)c1ccc(OCc2ccc3ccccc3n2)cc1C1(CC(C)(C)C1)c1ccccc1 Show InChI InChI=1S/C30H29NO3/c1-29(2)19-30(20-29,22-10-5-4-6-11-22)26-17-24(15-16-25(26)28(32)33-3)34-18-23-14-13-21-9-7-8-12-27(21)31-23/h4-17H,18-20H2,1-3H3	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	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase-activating protein in human polymorphonuclear cells assessed as inhibition of calcium ionophore-induced LTB4 production ...				Bioorg Med Chem Lett 22: 4133-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.064 BindingDB Entry DOI: 10.7270/Q2348MCB
					More data for this Ligand-Target Pair
5-lipoxygenase/FLAP (Homo sapiens (Human))	BDBM50383901 (CHEMBL2031455) Show SMILES COC(=O)c1ccc(OCc2ccc3ccccc3n2)cc1C1(CC(C)(C)C1)c1ccccc1 Show InChI InChI=1S/C30H29NO3/c1-29(2)19-30(20-29,22-10-5-4-6-11-22)26-17-24(15-16-25(26)28(32)33-3)34-18-23-14-13-21-9-7-8-12-27(21)31-23/h4-17H,18-20H2,1-3H3	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	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]L-691,831 from 5-lipoxygenase-activating protein in human polymorphonuclear cells				Bioorg Med Chem Lett 22: 4133-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.064 BindingDB Entry DOI: 10.7270/Q2348MCB
					More data for this Ligand-Target Pair