BDBM50408422 CHEMBL2113721

SMILES: CCCCN(O)C(=O)Nc1cc(cc(OC)c1OCCSc1ccccc1Br)[C@@H]1CC[C@H](O1)c1cc(OC)c(OC)c(OC)c1

InChI Key: InChIKey=ADGAICNUKKFKGZ-UIOOFZCWSA-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 = 50408422   

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 (Rattus norvegicus)	BDBM50408422 (CHEMBL2113721) Show SMILES CCCCN(O)C(=O)Nc1cc(cc(OC)c1OCCSc1ccccc1Br)[C@@H]1CC[C@H](O1)c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C33H41BrN2O8S/c1-6-7-14-36(38)33(37)35-24-17-21(18-27(39-2)31(24)43-15-16-45-30-11-9-8-10-23(30)34)25-12-13-26(44-25)22-19-28(40-3)32(42-5)29(20-22)41-4/h8-11,17-20,25-26,38H,6-7,12-16H2,1-5H3,(H,35,37)/t25-,26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase mediated conversion of [14C]-arachidonic acid to leukotrienes in RBL-2H3 cells				J Med Chem 41: 1970-9 (1998) Article DOI: 10.1021/jm980046r BindingDB Entry DOI: 10.7270/Q2PV6JH2
					More data for this Ligand-Target Pair
Platelet activating factor receptor (Homo sapiens (Human))	BDBM50408422 (CHEMBL2113721) Show SMILES CCCCN(O)C(=O)Nc1cc(cc(OC)c1OCCSc1ccccc1Br)[C@@H]1CC[C@H](O1)c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C33H41BrN2O8S/c1-6-7-14-36(38)33(37)35-24-17-21(18-27(39-2)31(24)43-15-16-45-30-11-9-8-10-23(30)34)25-12-13-26(44-25)22-19-28(40-3)32(42-5)29(20-22)41-4/h8-11,17-20,25-26,38H,6-7,12-16H2,1-5H3,(H,35,37)/t25-,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Displacement of [3H]-PAF from PAF receptor of human platelet membranes				J Med Chem 41: 1970-9 (1998) Article DOI: 10.1021/jm980046r BindingDB Entry DOI: 10.7270/Q2PV6JH2
					More data for this Ligand-Target Pair