BDBM50510097 CHEMBL4553272

SMILES: [#6]-[#8]-c1ccc(\[#6]=[#6]\c2c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc(-[#8])c2-[#6]\[#6]=[#6](\[#6])-[#6])cc1

InChI Key: InChIKey=CWMRILMPPGUTTE-XNTDXEJSSA-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 = 50510097   

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))	BDBM50510097 (CHEMBL4553272) Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#6]\c2c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc(-[#8])c2-[#6]\[#6]=[#6](\[#6])-[#6])cc1 Show InChI InChI=1S/C25H30O3/c1-17(2)6-13-22-21(15-10-19-8-11-20(28-5)12-9-19)23(14-7-18(3)4)25(27)16-24(22)26/h6-12,15-16,26-27H,13-14H2,1-5H3/b15-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-LOX assessed as reduction in leukotriene B4 synthesis using arachidonic acid substrate by ELISA				J Nat Prod 82: 1839-1848 (2019) Article DOI: 10.1021/acs.jnatprod.9b00081
					More data for this Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2 (Homo sapiens (Human))	BDBM50510097 (CHEMBL4553272) Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#6]\c2c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc(-[#8])c2-[#6]\[#6]=[#6](\[#6])-[#6])cc1 Show InChI InChI=1S/C25H30O3/c1-17(2)6-13-22-21(15-10-19-8-11-20(28-5)12-9-19)23(14-7-18(3)4)25(27)16-24(22)26/h6-12,15-16,26-27H,13-14H2,1-5H3/b15-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 assessed as reduction in PGE2 production using arachidonic acid substrate by ELISA				J Nat Prod 82: 1839-1848 (2019) Article DOI: 10.1021/acs.jnatprod.9b00081
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM50510097 (CHEMBL4553272) Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#6]\c2c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc(-[#8])c2-[#6]\[#6]=[#6](\[#6])-[#6])cc1 Show InChI InChI=1S/C25H30O3/c1-17(2)6-13-22-21(15-10-19-8-11-20(28-5)12-9-19)23(14-7-18(3)4)25(27)16-24(22)26/h6-12,15-16,26-27H,13-14H2,1-5H3/b15-10+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of ram seminal vesicle COX1 assessed as reduction in PGE2 production using arachidonic acid substrate by ELISA				J Nat Prod 82: 1839-1848 (2019) Article DOI: 10.1021/acs.jnatprod.9b00081
					More data for this Ligand-Target Pair