BDBM50269153 (-)-(R)-5-methoxy-2,3-dihydrofuro[2,3-g][3]-benzoxepin::CHEMBL522898

SMILES: COc1cc2C[C@@H](Oc2c2C=COC=Cc12)C(C)(C)O

InChI Key: InChIKey=SOTPZHKVANVGAN-CQSZACIVSA-N

Data: 1 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 1 hit for monomerid = 50269153   

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 G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM50269153 ((-)-(R)-5-methoxy-2,3-dihydrofuro[2,3-g][3]-benzox...) Show SMILES COc1cc2C[C@@H](Oc2c2C=COC=Cc12)C(C)(C)O |r,c:11,14| Show InChI InChI=1S/C16H18O4/c1-16(2,17)14-9-10-8-13(18-3)11-4-6-19-7-5-12(11)15(10)20-14/h4-8,14,17H,9H2,1-3H3/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.32E+4	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Inhibition of COX1 in ram seminal vesicle microsomes assessed as reduction of PGE2 formation				J Nat Prod 63: 403-5 (2000) BindingDB Entry DOI: 10.7270/Q22R3RDF
					More data for this Ligand-Target Pair