BDBM50465991 CHEMBL4277615

SMILES: [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CNC(=O)CCCCNC(=O)c1ccc(NC(C)=O)cc1

InChI Key: InChIKey=SRCDNXUBIYWHLR-DYGHIYBASA-N

Data: 4 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 4 hits for monomerid = 50465991   

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 3 (Homo sapiens (Human))	BDBM50465991 (CHEMBL4277615) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CNC(=O)CCCCNC(=O)c1ccc(NC(C)=O)cc1 |r,c:3| Show InChI InChI=1S/C25H34N4O10/c1-13(30)28-16-8-6-15(7-9-16)24(36)26-10-4-3-5-20(34)27-12-18(33)22(35)23-21(29-14(2)31)17(32)11-19(39-23)25(37)38/h6-9,11,17-18,21-23,32-33,35H,3-5,10,12H2,1-2H3,(H,26,36)(H,27,34)(H,28,30)(H,29,31)(H,37,38)/t17-,18+,21+,22+,23+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of N-terminal MBP-fused human NEU3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 11261-11279 (2018) Article DOI: 10.1021/acs.jmedchem.8b01411 BindingDB Entry DOI: 10.7270/Q2GF0X5V
					More data for this Ligand-Target Pair
Sialidase 1 (Homo sapiens (Human))	BDBM50465991 (CHEMBL4277615) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CNC(=O)CCCCNC(=O)c1ccc(NC(C)=O)cc1 |r,c:3| Show InChI InChI=1S/C25H34N4O10/c1-13(30)28-16-8-6-15(7-9-16)24(36)26-10-4-3-5-20(34)27-12-18(33)22(35)23-21(29-14(2)31)17(32)11-19(39-23)25(37)38/h6-9,11,17-18,21-23,32-33,35H,3-5,10,12H2,1-2H3,(H,26,36)(H,27,34)(H,28,30)(H,29,31)(H,37,38)/t17-,18+,21+,22+,23+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NEU1 expressed in HEK293 cells using 4MU-NANA as substrate preincubated for 15 mins followed by substrate addition an...				J Med Chem 61: 11261-11279 (2018) Article DOI: 10.1021/acs.jmedchem.8b01411 BindingDB Entry DOI: 10.7270/Q2GF0X5V
					More data for this Ligand-Target Pair
Sialidase 2 (Homo sapiens (Human))	BDBM50465991 (CHEMBL4277615) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CNC(=O)CCCCNC(=O)c1ccc(NC(C)=O)cc1 |r,c:3| Show InChI InChI=1S/C25H34N4O10/c1-13(30)28-16-8-6-15(7-9-16)24(36)26-10-4-3-5-20(34)27-12-18(33)22(35)23-21(29-14(2)31)17(32)11-19(39-23)25(37)38/h6-9,11,17-18,21-23,32-33,35H,3-5,10,12H2,1-2H3,(H,26,36)(H,27,34)(H,28,30)(H,29,31)(H,37,38)/t17-,18+,21+,22+,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of N-terminal MBP-fused human NEU2 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 11261-11279 (2018) Article DOI: 10.1021/acs.jmedchem.8b01411 BindingDB Entry DOI: 10.7270/Q2GF0X5V
					More data for this Ligand-Target Pair
Sialidase 4 (Homo sapiens (Human))	BDBM50465991 (CHEMBL4277615) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CNC(=O)CCCCNC(=O)c1ccc(NC(C)=O)cc1 |r,c:3| Show InChI InChI=1S/C25H34N4O10/c1-13(30)28-16-8-6-15(7-9-16)24(36)26-10-4-3-5-20(34)27-12-18(33)22(35)23-21(29-14(2)31)17(32)11-19(39-23)25(37)38/h6-9,11,17-18,21-23,32-33,35H,3-5,10,12H2,1-2H3,(H,26,36)(H,27,34)(H,28,30)(H,29,31)(H,37,38)/t17-,18+,21+,22+,23+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of MBP-fused human NEU4 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrate addition ...				J Med Chem 61: 11261-11279 (2018) Article DOI: 10.1021/acs.jmedchem.8b01411 BindingDB Entry DOI: 10.7270/Q2GF0X5V
					More data for this Ligand-Target Pair