BDBM50269596 3-(gamma,gamma-dimethylallyl)resveratrol::CHEMBL457145

SMILES: [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(\[#6]=[#6]\c2cc(-[#8])cc(-[#8])c2)ccc1-[#8]

InChI Key: InChIKey=BWCJJGGZRYKPID-SNAWJCMRSA-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 = 50269596   

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
Cyclooxygenase (Homo sapiens (Human))	BDBM50269596 (3-(gamma,gamma-dimethylallyl)resveratrol | CHEMBL4...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(\[#6]=[#6]\c2cc(-[#8])cc(-[#8])c2)ccc1-[#8] Show InChI InChI=1S/C19H20O3/c1-13(2)3-7-16-9-14(6-8-19(16)22)4-5-15-10-17(20)12-18(21)11-15/h3-6,8-12,20-22H,7H2,1-2H3/b5-4+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of COX2				J Nat Prod 65: 163-9 (2002) BindingDB Entry DOI: 10.7270/Q2J38TGV
					More data for this Ligand-Target Pair
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM50269596 (3-(gamma,gamma-dimethylallyl)resveratrol | CHEMBL4...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(\[#6]=[#6]\c2cc(-[#8])cc(-[#8])c2)ccc1-[#8] Show InChI InChI=1S/C19H20O3/c1-13(2)3-7-16-9-14(6-8-19(16)22)4-5-15-10-17(20)12-18(21)11-15/h3-6,8-12,20-22H,7H2,1-2H3/b5-4+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of COX1				J Nat Prod 65: 163-9 (2002) BindingDB Entry DOI: 10.7270/Q2J38TGV
					More data for this Ligand-Target Pair