BDBM50468224 CHEMBL4278258

SMILES: [#6]-[#8]-c1cc(ccc1-[#8])-[#6@@H]-1-[#6]-[#6](=O)-c2c(-[#8])c3-[#6]=[#6]C([#6])([#6]-[#6]\[#6]=[#6](\[#6])-[#6])[#8]-c3cc2-[#8]-1

InChI Key: InChIKey=NUFMTZZTLFDKAV-DQUNLGLBSA-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 = 50468224   

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))	BDBM50468224 (CHEMBL4278258) Show SMILES [#6]-[#8]-c1cc(ccc1-[#8])-[#6@@H]-1-[#6]-[#6](=O)-c2c(-[#8])c3-[#6]=[#6]C([#6])([#6]-[#6]\[#6]=[#6](\[#6])-[#6])[#8]-c3cc2-[#8]-1 |r,c:18| Show InChI InChI=1S/C26H28O6/c1-15(2)6-5-10-26(3)11-9-17-21(32-26)14-23-24(25(17)29)19(28)13-20(31-23)16-7-8-18(27)22(12-16)30-4/h6-9,11-12,14,20,27,29H,5,10,13H2,1-4H3/t20-,26?/m0/s1	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	9.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 assessed as reduction in PGE2 formation pre-incubated for 5 mins before arachidonic acid addition and measured a...				J Nat Prod 80: 999-1006 (2017) Article DOI: 10.1021/acs.jnatprod.6b01011 BindingDB Entry DOI: 10.7270/Q2668GW1
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM50468224 (CHEMBL4278258) Show SMILES [#6]-[#8]-c1cc(ccc1-[#8])-[#6@@H]-1-[#6]-[#6](=O)-c2c(-[#8])c3-[#6]=[#6]C([#6])([#6]-[#6]\[#6]=[#6](\[#6])-[#6])[#8]-c3cc2-[#8]-1 |r,c:18| Show InChI InChI=1S/C26H28O6/c1-15(2)6-5-10-26(3)11-9-17-21(32-26)14-23-24(25(17)29)19(28)13-20(31-23)16-7-8-18(27)22(12-16)30-4/h6-9,11-12,14,20,27,29H,5,10,13H2,1-4H3/t20-,26?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of ram seminal vesicle COX1 assessed as reduction in PGE2 formation pre-incubated for 5 mins before arachidonic acid addition and measured...				J Nat Prod 80: 999-1006 (2017) Article DOI: 10.1021/acs.jnatprod.6b01011 BindingDB Entry DOI: 10.7270/Q2668GW1
					More data for this Ligand-Target Pair