BDBM50482882 CHEBI:70658::CHEMBL463095

SMILES: COc1c(C)c(O)c(C)c(O)c1C(=O)\C=C\c1ccccc1

InChI Key: InChIKey=TZEQDSMFACWASC-MDZDMXLPSA-N

Data: 1 KI  5 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 6 hits for monomerid = 50482882   

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
Neuraminidase (Influenza A virus)	BDBM50482882 (CHEBI:70658 | CHEMBL463095) Show SMILES COc1c(C)c(O)c(C)c(O)c1C(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C18H18O4/c1-11-16(20)12(2)18(22-3)15(17(11)21)14(19)10-9-13-7-5-4-6-8-13/h4-10,20-21H,1-3H3/b10-9+	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.14E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chosun University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/California/08/2009(H1N1)) neuraminidase expressed in human 293T cells by Dixon plot analysis				J Nat Prod 73: 1636-42 (2010) Article DOI: 10.1021/np1002753 BindingDB Entry DOI: 10.7270/Q2DZ0C4B
					More data for this Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM50482882 (CHEBI:70658 | CHEMBL463095) Show SMILES COc1c(C)c(O)c(C)c(O)c1C(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C18H18O4/c1-11-16(20)12(2)18(22-3)15(17(11)21)14(19)10-9-13-7-5-4-6-8-13/h4-10,20-21H,1-3H3/b10-9+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Reversal of P-gp-mediated multidrug resistance in human MCF7/Dox cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxo...				Eur J Med Chem 180: 350-366 (2019) Article DOI: 10.1016/j.ejmech.2019.05.053
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50482882 (CHEBI:70658 | CHEMBL463095) Show SMILES COc1c(C)c(O)c(C)c(O)c1C(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C18H18O4/c1-11-16(20)12(2)18(22-3)15(17(11)21)14(19)10-9-13-7-5-4-6-8-13/h4-10,20-21H,1-3H3/b10-9+	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chosun University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Sw/Kor/CAH1/04 (H1N1) KCTC 11165BP neuraminidase after 30 mins by spectrofluorimetric analysis				J Nat Prod 73: 1636-42 (2010) Article DOI: 10.1021/np1002753 BindingDB Entry DOI: 10.7270/Q2DZ0C4B
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50482882 (CHEBI:70658 | CHEMBL463095) Show SMILES COc1c(C)c(O)c(C)c(O)c1C(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C18H18O4/c1-11-16(20)12(2)18(22-3)15(17(11)21)14(19)10-9-13-7-5-4-6-8-13/h4-10,20-21H,1-3H3/b10-9+	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.52E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chosun University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/California/08/2009(H1N1)) wild type neuraminidase expressed in human 293T cells after 30 mins by spectrofluorimetr...				J Nat Prod 73: 1636-42 (2010) Article DOI: 10.1021/np1002753 BindingDB Entry DOI: 10.7270/Q2DZ0C4B
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50482882 (CHEBI:70658 | CHEMBL463095) Show SMILES COc1c(C)c(O)c(C)c(O)c1C(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C18H18O4/c1-11-16(20)12(2)18(22-3)15(17(11)21)14(19)10-9-13-7-5-4-6-8-13/h4-10,20-21H,1-3H3/b10-9+	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chosun University Curated by ChEMBL					Assay Description Inhibition of oseltamivir-resistant Influenza A virus (A/California/08/2009(H1N1)) neuraminidase H274Y mutant expressed in human 293T cells after 30 ...				J Nat Prod 73: 1636-42 (2010) Article DOI: 10.1021/np1002753 BindingDB Entry DOI: 10.7270/Q2DZ0C4B
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50482882 (CHEBI:70658 | CHEMBL463095) Show SMILES COc1c(C)c(O)c(C)c(O)c1C(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C18H18O4/c1-11-16(20)12(2)18(22-3)15(17(11)21)14(19)10-9-13-7-5-4-6-8-13/h4-10,20-21H,1-3H3/b10-9+	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.17E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chosun University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/chicken/Korea/01310/2001 (H9N2)) neuraminidase after 30 mins by spectrofluorimetric analysis				J Nat Prod 73: 1636-42 (2010) Article DOI: 10.1021/np1002753 BindingDB Entry DOI: 10.7270/Q2DZ0C4B
					More data for this Ligand-Target Pair