BDBM50510099 CHEMBL4517895

SMILES: [#6]-[#8]-c1ccc(\[#6]=[#6]\c2c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc3-[#8]C([#6])([#6])[#6]-[#6]-c23)cc1-[#8]

InChI Key: InChIKey=IYCGBIASDVDADJ-JXMROGBWSA-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 = 50510099   

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))	BDBM50510099 (CHEMBL4517895) Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#6]\c2c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc3-[#8]C([#6])([#6])[#6]-[#6]-c23)cc1-[#8] Show InChI InChI=1S/C25H30O4/c1-16(2)6-9-19-18(10-7-17-8-11-23(28-5)22(27)14-17)20-12-13-25(3,4)29-24(20)15-21(19)26/h6-8,10-11,14-15,26-27H,9,12-13H2,1-5H3/b10-7+	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	3.55E+4	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))	BDBM50510099 (CHEMBL4517895) Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#6]\c2c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc3-[#8]C([#6])([#6])[#6]-[#6]-c23)cc1-[#8] Show InChI InChI=1S/C25H30O4/c1-16(2)6-9-19-18(10-7-17-8-11-23(28-5)22(27)14-17)20-12-13-25(3,4)29-24(20)15-21(19)26/h6-8,10-11,14-15,26-27H,9,12-13H2,1-5H3/b10-7+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.26E+4	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