BDBM50211956 2-(3-hydroxy-5-methoxyphenethyl)phenol::Batatasin IV (5)::CHEMBL228126::batatasin IV

SMILES: COc1cc(O)cc(CCc2ccccc2O)c1

InChI Key: InChIKey=IUMFLNFLJUUODE-UHFFFAOYSA-N

Data: 1 KI  5 IC50

PDB links: 1 PDB ID matches this monomer.

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 5 hits for monomerid = 50211956   

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
Pancreatic lipase (Sus scrofa (Pig))	BDBM50211956 (2-(3-hydroxy-5-methoxyphenethyl)phenol | Batatasin...) Show SMILES COc1cc(O)cc(CCc2ccccc2O)c1 Show InChI InChI=1S/C15H16O3/c1-18-14-9-11(8-13(16)10-14)6-7-12-4-2-3-5-15(12)17/h2-5,8-10,16-17H,6-7H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	6.28E+3	-7.38	3.01E+4	n/a	n/a	n/a	n/a	7.4	37
Seoul National University					Assay Description Various concentrations of test compound (5, 10, 25, 50 and 100 mM) were dissolved in DMSO (final culture concentration 0.1%) and 4-MU oleate and lipa...				J Enzyme Inhib Med Chem 29: 1-6 (2014) Article DOI: 10.3109/14756366.2012.742517 BindingDB Entry DOI: 10.7270/Q2DJ5DKB
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM50211956 (2-(3-hydroxy-5-methoxyphenethyl)phenol | Batatasin...) Show SMILES COc1cc(O)cc(CCc2ccccc2O)c1 Show InChI InChI=1S/C15H16O3/c1-18-14-9-11(8-13(16)10-14)6-7-12-4-2-3-5-15(12)17/h2-5,8-10,16-17H,6-7H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>4.09E+5	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of ovine COX1 by colorimetric assay				Bioorg Med Chem 17: 2689-94 (2009) Article DOI: 10.1016/j.bmc.2009.02.057 BindingDB Entry DOI: 10.7270/Q2RF5XTR
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM50211956 (2-(3-hydroxy-5-methoxyphenethyl)phenol | Batatasin...) Show SMILES COc1cc(O)cc(CCc2ccccc2O)c1 Show InChI InChI=1S/C15H16O3/c1-18-14-9-11(8-13(16)10-14)6-7-12-4-2-3-5-15(12)17/h2-5,8-10,16-17H,6-7H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>4.09E+5	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of ovine COX2 by colorimetric assay				Bioorg Med Chem 17: 2689-94 (2009) Article DOI: 10.1016/j.bmc.2009.02.057 BindingDB Entry DOI: 10.7270/Q2RF5XTR
					More data for this Ligand-Target Pair
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM50211956 (2-(3-hydroxy-5-methoxyphenethyl)phenol | Batatasin...) Show SMILES COc1cc(O)cc(CCc2ccccc2O)c1 Show InChI InChI=1S/C15H16O3/c1-18-14-9-11(8-13(16)10-14)6-7-12-4-2-3-5-15(12)17/h2-5,8-10,16-17H,6-7H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>4.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chiang Mai University Curated by ChEMBL					Assay Description Inhibition of COX1 by radioimmunoassay method				J Nat Prod 70: 795-801 (2007) Article DOI: 10.1021/np070010e BindingDB Entry DOI: 10.7270/Q2R78DXZ
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50211956 (2-(3-hydroxy-5-methoxyphenethyl)phenol | Batatasin...) Show SMILES COc1cc(O)cc(CCc2ccccc2O)c1 Show InChI InChI=1S/C15H16O3/c1-18-14-9-11(8-13(16)10-14)6-7-12-4-2-3-5-15(12)17/h2-5,8-10,16-17H,6-7H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>4.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chiang Mai University Curated by ChEMBL					Assay Description Inhibition of COX2 by radioimmunoassay method				J Nat Prod 70: 795-801 (2007) Article DOI: 10.1021/np070010e BindingDB Entry DOI: 10.7270/Q2R78DXZ
					More data for this Ligand-Target Pair