BDBM50443830 CHEMBL3091500

SMILES: CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(Br)cc2)n1)C(O)=O

InChI Key: InChIKey=JJSVZPDYZGXUSG-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50443830   

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
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50443830 (CHEMBL3091500) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(Br)cc2)n1)C(O)=O Show InChI InChI=1S/C21H22BrClN4O2S2/c1-2-3-4-5-6-16(19(28)29)31-21-25-17(23)11-18(27-21)26-20-24-15(12-30-20)13-7-9-14(22)10-8-13/h7-12,16H,2-6H2,1H3,(H,28,29)(H,24,25,26,27)	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	800	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of mPGES-1 from human A549 cell microsomal membranes using PGH2 as substrate incubated 15 mins prior to substrate addition measured after ...				J Med Chem 56: 9031-44 (2013) Article DOI: 10.1021/jm401557w BindingDB Entry DOI: 10.7270/Q24B32R4
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50443830 (CHEMBL3091500) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(Br)cc2)n1)C(O)=O Show InChI InChI=1S/C21H22BrClN4O2S2/c1-2-3-4-5-6-16(19(28)29)31-21-25-17(23)11-18(27-21)26-20-24-15(12-30-20)13-7-9-14(22)10-8-13/h7-12,16H,2-6H2,1H3,(H,28,29)(H,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in A23187-stimulated human polymorphonuclear leukocytes using arachidonic acid as substrate incubated 15 mins prior to s...				J Med Chem 56: 9031-44 (2013) Article DOI: 10.1021/jm401557w BindingDB Entry DOI: 10.7270/Q24B32R4
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50443830 (CHEMBL3091500) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(Br)cc2)n1)C(O)=O Show InChI InChI=1S/C21H22BrClN4O2S2/c1-2-3-4-5-6-16(19(28)29)31-21-25-17(23)11-18(27-21)26-20-24-15(12-30-20)13-7-9-14(22)10-8-13/h7-12,16H,2-6H2,1H3,(H,28,29)(H,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-lipoxygenase expressed in Escherichia coli BL21 using arachidonic acid as substrate incubated 5 to 10 mins prior to...				J Med Chem 56: 9031-44 (2013) Article DOI: 10.1021/jm401557w BindingDB Entry DOI: 10.7270/Q24B32R4
					More data for this Ligand-Target Pair