BDBM50510095 CHEMBL4465694

SMILES: [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c1\[#6]=[#6]\c1ccc(-[#8])cc1

InChI Key: InChIKey=MTVXRRAAXZXGQT-NTEUORMPSA-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 = 50510095   

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/G/H synthase 2 (Homo sapiens (Human))	BDBM50510095 (CHEMBL4465694) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c1\[#6]=[#6]\c1ccc(-[#8])cc1 Show InChI InChI=1S/C24H28O3/c1-16(2)5-12-21-20(14-9-18-7-10-19(25)11-8-18)22(13-6-17(3)4)24(27)15-23(21)26/h5-11,14-15,25-27H,12-13H2,1-4H3/b14-9+	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	5.70E+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))	BDBM50510095 (CHEMBL4465694) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c1\[#6]=[#6]\c1ccc(-[#8])cc1 Show InChI InChI=1S/C24H28O3/c1-16(2)5-12-21-20(14-9-18-7-10-19(25)11-8-18)22(13-6-17(3)4)24(27)15-23(21)26/h5-11,14-15,25-27H,12-13H2,1-4H3/b14-9+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	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
5-lipoxygenase/FLAP (Homo sapiens (Human))	BDBM50510095 (CHEMBL4465694) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c1\[#6]=[#6]\c1ccc(-[#8])cc1 Show InChI InChI=1S/C24H28O3/c1-16(2)5-12-21-20(14-9-18-7-10-19(25)11-8-18)22(13-6-17(3)4)24(27)15-23(21)26/h5-11,14-15,25-27H,12-13H2,1-4H3/b14-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	900	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