BDBM50270464 CHEMBL4076203

SMILES: [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)Cn1cc(nn1)-c1ccc(cc1)-c1ccccc1

InChI Key: InChIKey=MOBLYRFFBQZZKA-DGWCAWEPSA-N

Data: 3 KI  6 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 9 hits for monomerid = 50270464   

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 4 (Homo sapiens (Human))	BDBM50270464 (CHEMBL4076203) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)Cn1cc(nn1)-c1ccc(cc1)-c1ccccc1 |r,c:3| Show InChI InChI=1S/C25H26N4O7/c1-14(30)26-22-19(31)11-21(25(34)35)36-24(22)23(33)20(32)13-29-12-18(27-28-29)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-12,19-20,22-24,31-33H,13H2,1H3,(H,26,30)(H,34,35)/t19-,20+,22+,23+,24+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU4 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair
Sialidase 3 (Homo sapiens (Human))	BDBM50270464 (CHEMBL4076203) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)Cn1cc(nn1)-c1ccc(cc1)-c1ccccc1 |r,c:3| Show InChI InChI=1S/C25H26N4O7/c1-14(30)26-22-19(31)11-21(25(34)35)36-24(22)23(33)20(32)13-29-12-18(27-28-29)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-12,19-20,22-24,31-33H,13H2,1H3,(H,26,30)(H,34,35)/t19-,20+,22+,23+,24+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair
Sialidase 2 (Homo sapiens (Human))	BDBM50270464 (CHEMBL4076203) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)Cn1cc(nn1)-c1ccc(cc1)-c1ccccc1 |r,c:3| Show InChI InChI=1S/C25H26N4O7/c1-14(30)26-22-19(31)11-21(25(34)35)36-24(22)23(33)20(32)13-29-12-18(27-28-29)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-12,19-20,22-24,31-33H,13H2,1H3,(H,26,30)(H,34,35)/t19-,20+,22+,23+,24+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU2 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair
Sialidase 4 (Homo sapiens (Human))	BDBM50270464 (CHEMBL4076203) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)Cn1cc(nn1)-c1ccc(cc1)-c1ccccc1 |r,c:3| Show InChI InChI=1S/C25H26N4O7/c1-14(30)26-22-19(31)11-21(25(34)35)36-24(22)23(33)20(32)13-29-12-18(27-28-29)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-12,19-20,22-24,31-33H,13H2,1H3,(H,26,30)(H,34,35)/t19-,20+,22+,23+,24+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU4 expressed in Escherichia coli using GM3 as substrate preincubated for 15 mins followed by substrate add...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair
Sialidase 1 (Homo sapiens (Human))	BDBM50270464 (CHEMBL4076203) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)Cn1cc(nn1)-c1ccc(cc1)-c1ccccc1 |r,c:3| Show InChI InChI=1S/C25H26N4O7/c1-14(30)26-22-19(31)11-21(25(34)35)36-24(22)23(33)20(32)13-29-12-18(27-28-29)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-12,19-20,22-24,31-33H,13H2,1H3,(H,26,30)(H,34,35)/t19-,20+,22+,23+,24+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human CathA-IRES-6His-tagged NEU1 expressed in HEK293T cells using 4MU-NANA as substrate preincubated for 15 mins followed by substrate...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair
Sialidase 2 (Homo sapiens (Human))	BDBM50270464 (CHEMBL4076203) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)Cn1cc(nn1)-c1ccc(cc1)-c1ccccc1 |r,c:3| Show InChI InChI=1S/C25H26N4O7/c1-14(30)26-22-19(31)11-21(25(34)35)36-24(22)23(33)20(32)13-29-12-18(27-28-29)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-12,19-20,22-24,31-33H,13H2,1H3,(H,26,30)(H,34,35)/t19-,20+,22+,23+,24+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU2 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair
Sialidase 3 (Homo sapiens (Human))	BDBM50270464 (CHEMBL4076203) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)Cn1cc(nn1)-c1ccc(cc1)-c1ccccc1 |r,c:3| Show InChI InChI=1S/C25H26N4O7/c1-14(30)26-22-19(31)11-21(25(34)35)36-24(22)23(33)20(32)13-29-12-18(27-28-29)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-12,19-20,22-24,31-33H,13H2,1H3,(H,26,30)(H,34,35)/t19-,20+,22+,23+,24+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair
Sialidase 3 (Homo sapiens (Human))	BDBM50270464 (CHEMBL4076203) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)Cn1cc(nn1)-c1ccc(cc1)-c1ccccc1 |r,c:3| Show InChI InChI=1S/C25H26N4O7/c1-14(30)26-22-19(31)11-21(25(34)35)36-24(22)23(33)20(32)13-29-12-18(27-28-29)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-12,19-20,22-24,31-33H,13H2,1H3,(H,26,30)(H,34,35)/t19-,20+,22+,23+,24+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU3 expressed in Escherichia coli using GM3 as substrate preincubated for 15 mins followed by substrate add...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair
Sialidase 4 (Homo sapiens (Human))	BDBM50270464 (CHEMBL4076203) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)Cn1cc(nn1)-c1ccc(cc1)-c1ccccc1 |r,c:3| Show InChI InChI=1S/C25H26N4O7/c1-14(30)26-22-19(31)11-21(25(34)35)36-24(22)23(33)20(32)13-29-12-18(27-28-29)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-12,19-20,22-24,31-33H,13H2,1H3,(H,26,30)(H,34,35)/t19-,20+,22+,23+,24+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU4 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair