BDBM50441624 GLABRONE

SMILES: CC1(C)Oc2ccc(c(O)c2C=C1)-c1coc2cc(O)ccc2c1=O

InChI Key: InChIKey=COLMVFWKLOZOOP-UHFFFAOYSA-N

Data: 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 5 hits for monomerid = 50441624   

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
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50441624 (GLABRONE) Show SMILES CC1(C)Oc2ccc(c(O)c2C=C1)-c1coc2cc(O)ccc2c1=O |c:12| Show InChI InChI=1S/C20H16O5/c1-20(2)8-7-14-16(25-20)6-5-12(18(14)22)15-10-24-17-9-11(21)3-4-13(17)19(15)23/h3-10,21-22H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
Toho University Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin) using p-nitrophenyl phosphate as substrate				Bioorg Med Chem Lett 23: 5836-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.102 BindingDB Entry DOI: 10.7270/Q28W3FQ0
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50441624 (GLABRONE) Show SMILES CC1(C)Oc2ccc(c(O)c2C=C1)-c1coc2cc(O)ccc2c1=O |c:12| Show InChI InChI=1S/C20H16O5/c1-20(2)8-7-14-16(25-20)6-5-12(18(14)22)15-10-24-17-9-11(21)3-4-13(17)19(15)23/h3-10,21-22H,1-2H3	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of Influenza A virus J/8178/09 neuraminidase by chemiluminescence based assay				J Nat Prod 77: 563-70 (2014) Article DOI: 10.1021/np400817j BindingDB Entry DOI: 10.7270/Q23J3GZJ
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50441624 (GLABRONE) Show SMILES CC1(C)Oc2ccc(c(O)c2C=C1)-c1coc2cc(O)ccc2c1=O |c:12| Show InChI InChI=1S/C20H16O5/c1-20(2)8-7-14-16(25-20)6-5-12(18(14)22)15-10-24-17-9-11(21)3-4-13(17)19(15)23/h3-10,21-22H,1-2H3	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Hong Kong/1/1968(H3N2)) neuraminidase by chemiluminescence based assay				J Nat Prod 77: 563-70 (2014) Article DOI: 10.1021/np400817j BindingDB Entry DOI: 10.7270/Q23J3GZJ
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50441624 (GLABRONE) Show SMILES CC1(C)Oc2ccc(c(O)c2C=C1)-c1coc2cc(O)ccc2c1=O |c:12| Show InChI InChI=1S/C20H16O5/c1-20(2)8-7-14-16(25-20)6-5-12(18(14)22)15-10-24-17-9-11(21)3-4-13(17)19(15)23/h3-10,21-22H,1-2H3	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Puerto Rico/8/1934(H1N1)) neuraminidase by chemiluminescence based assay				J Nat Prod 77: 563-70 (2014) Article DOI: 10.1021/np400817j BindingDB Entry DOI: 10.7270/Q23J3GZJ
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50441624 (GLABRONE) Show SMILES CC1(C)Oc2ccc(c(O)c2C=C1)-c1coc2cc(O)ccc2c1=O |c:12| Show InChI InChI=1S/C20H16O5/c1-20(2)8-7-14-16(25-20)6-5-12(18(14)22)15-10-24-17-9-11(21)3-4-13(17)19(15)23/h3-10,21-22H,1-2H3	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.42E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of oseltamivir-resistant Influenza A virus H1N1 B/55/08 neuraminidase by chemiluminescence based assay				J Nat Prod 77: 563-70 (2014) Article DOI: 10.1021/np400817j BindingDB Entry DOI: 10.7270/Q23J3GZJ
					More data for this Ligand-Target Pair