BDBM50045654 CHEMBL96253::N-{4-[1-(4-Chloro-benzyl)-4-methyl-6-(5-phenyl-pyridin-2-ylmethoxy)-4,5-dihydro-1H-3-thia-1-aza-acenaphthylen-2-yl]-3,3-dimethyl-butyryl}-methanesulfonamide

SMILES: CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)CC(=O)NS(C)(=O)=O)c(S1)c23

InChI Key: InChIKey=PMCLXOFWBAQLHI-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 = 50045654   

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)	BDBM50045654 (CHEMBL96253 | N-{4-[1-(4-Chloro-benzyl)-4-methyl-6...) Show SMILES CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)CC(=O)NS(C)(=O)=O)c(S1)c23 Show InChI InChI=1S/C37H38ClN3O4S2/c1-24-18-30-33(45-23-29-15-12-27(21-39-29)26-8-6-5-7-9-26)17-16-31-35(30)36(46-24)32(41(31)22-25-10-13-28(38)14-11-25)19-37(2,3)20-34(42)40-47(4,43)44/h5-17,21,24H,18-20,22-23H2,1-4H3,(H,40,42)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	36	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
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50045654 (CHEMBL96253 | N-{4-[1-(4-Chloro-benzyl)-4-methyl-6...) Show SMILES CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)CC(=O)NS(C)(=O)=O)c(S1)c23 Show InChI InChI=1S/C37H38ClN3O4S2/c1-24-18-30-33(45-23-29-15-12-27(21-39-29)26-8-6-5-7-9-26)17-16-31-35(30)36(46-24)32(41(31)22-25-10-13-28(38)14-11-25)19-37(2,3)20-34(42)40-47(4,43)44/h5-17,21,24H,18-20,22-23H2,1-4H3,(H,40,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	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