BDBM50317433 CHEMBL1098729::isoneorautenol

SMILES: CC1(C)Oc2cc3O[C@@H]4[C@@H](COc5cc(O)ccc45)c3cc2C=C1

InChI Key: InChIKey=WTKJOOHYNMPGLE-KXBFYZLASA-N

Data: 1 KI  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 3 hits for monomerid = 50317433   

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
Sialidase (Clostridium perfringens)	BDBM50317433 (CHEMBL1098729 | isoneorautenol) Show SMILES CC1(C)Oc2cc3O[C@@H]4[C@@H](COc5cc(O)ccc45)c3cc2C=C1 |r,c:26| Show InChI InChI=1S/C20H18O4/c1-20(2)6-5-11-7-14-15-10-22-17-8-12(21)3-4-13(17)19(15)23-18(14)9-16(11)24-20/h3-9,15,19,21H,10H2,1-2H3/t15-,19-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chosun University Curated by ChEMBL					Assay Description Noncompetitive inhibition of Clostridium perfringens neuraminidase				Bioorg Med Chem 18: 3335-44 (2010) Article DOI: 10.1016/j.bmc.2010.03.005 BindingDB Entry DOI: 10.7270/Q2MW2HBM
					More data for this Ligand-Target Pair
Sialidase (Vibrio cholerae)	BDBM50317433 (CHEMBL1098729 | isoneorautenol) Show SMILES CC1(C)Oc2cc3O[C@@H]4[C@@H](COc5cc(O)ccc45)c3cc2C=C1 |r,c:26| Show InChI InChI=1S/C20H18O4/c1-20(2)6-5-11-7-14-15-10-22-17-8-12(21)3-4-13(17)19(15)23-18(14)9-16(11)24-20/h3-9,15,19,21H,10H2,1-2H3/t15-,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.48E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chosun University Curated by ChEMBL					Assay Description Inhibition of Vibrio cholerae neuraminidase assessed as inhibition of 4-MU-NANA hydrolysis after 30 mins by spectrofluorometry				Bioorg Med Chem 18: 3335-44 (2010) Article DOI: 10.1016/j.bmc.2010.03.005 BindingDB Entry DOI: 10.7270/Q2MW2HBM
					More data for this Ligand-Target Pair
Sialidase (Clostridium perfringens)	BDBM50317433 (CHEMBL1098729 | isoneorautenol) Show SMILES CC1(C)Oc2cc3O[C@@H]4[C@@H](COc5cc(O)ccc45)c3cc2C=C1 |r,c:26| Show InChI InChI=1S/C20H18O4/c1-20(2)6-5-11-7-14-15-10-22-17-8-12(21)3-4-13(17)19(15)23-18(14)9-16(11)24-20/h3-9,15,19,21H,10H2,1-2H3/t15-,19-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.41E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chosun University Curated by ChEMBL					Assay Description Inhibition of Clostridium perfringens neuraminidase assessed as inhibition of 4-MU-NANA hydrolysis after 10 mins by spectrofluorometry				Bioorg Med Chem 18: 3335-44 (2010) Article DOI: 10.1016/j.bmc.2010.03.005 BindingDB Entry DOI: 10.7270/Q2MW2HBM
					More data for this Ligand-Target Pair