BDBM246487 Batatasin III (4)

SMILES: COc1cc(O)cc(CCc2cccc(O)c2)c1

InChI Key: InChIKey=VYQXIUVIYICVCM-UHFFFAOYSA-N

Data: 1 KI  3 IC50  3 EC50

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 6 hits for monomerid = 246487   

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 triacylglycerol lipase (Sus scrofa (Pig))	BDBM246487 (Batatasin III (4)) Show SMILES COc1cc(O)cc(CCc2cccc(O)c2)c1 Show InChI InChI=1S/C15H16O3/c1-18-15-9-12(8-14(17)10-15)6-5-11-3-2-4-13(16)7-11/h2-4,7-10,16-17H,5-6H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	6.79E+3	-7.33	3.23E+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 2 (Ovis aries (Sheep))	BDBM246487 (Batatasin III (4)) Show SMILES COc1cc(O)cc(CCc2cccc(O)c2)c1 Show InChI InChI=1S/C15H16O3/c1-18-15-9-12(8-14(17)10-15)6-5-11-3-2-4-13(16)7-11/h2-4,7-10,16-17H,5-6H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	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
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2 (Homo sapiens (Human))	BDBM246487 (Batatasin III (4)) Show SMILES COc1cc(O)cc(CCc2cccc(O)c2)c1 Show InChI InChI=1S/C15H16O3/c1-18-15-9-12(8-14(17)10-15)6-5-11-3-2-4-13(16)7-11/h2-4,7-10,16-17H,5-6H2,1H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	8.08E+4	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Modulation of GABAA alpha2beta2gamma2S receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as potentiation of EC3 to 10 GABA-induc...				Bioorg Med Chem 22: 1276-84 (2014) Article DOI: 10.1016/j.bmc.2014.01.008 BindingDB Entry DOI: 10.7270/Q2B56NQ0
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM246487 (Batatasin III (4)) Show SMILES COc1cc(O)cc(CCc2cccc(O)c2)c1 Show InChI InChI=1S/C15H16O3/c1-18-15-9-12(8-14(17)10-15)6-5-11-3-2-4-13(16)7-11/h2-4,7-10,16-17H,5-6H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	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
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM246487 (Batatasin III (4)) Show SMILES COc1cc(O)cc(CCc2cccc(O)c2)c1 Show InChI InChI=1S/C15H16O3/c1-18-15-9-12(8-14(17)10-15)6-5-11-3-2-4-13(16)7-11/h2-4,7-10,16-17H,5-6H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	6.72E+4	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Modulation of GABAA alpha1beta3gamma2S receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as potentiation of EC3 to 10 GABA-induc...				Bioorg Med Chem 22: 1276-84 (2014) Article DOI: 10.1016/j.bmc.2014.01.008 BindingDB Entry DOI: 10.7270/Q2B56NQ0
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2 (Homo sapiens (Human))	BDBM246487 (Batatasin III (4)) Show SMILES COc1cc(O)cc(CCc2cccc(O)c2)c1 Show InChI InChI=1S/C15H16O3/c1-18-15-9-12(8-14(17)10-15)6-5-11-3-2-4-13(16)7-11/h2-4,7-10,16-17H,5-6H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	6.73E+4	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Modulation of GABAA alpha3beta2gamma2S receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as potentiation of EC3 to 10 GABA-induc...				Bioorg Med Chem 22: 1276-84 (2014) Article DOI: 10.1016/j.bmc.2014.01.008 BindingDB Entry DOI: 10.7270/Q2B56NQ0
					More data for this Ligand-Target Pair