BDBM50501640 CHEMBL4102509

SMILES: [Na;v0+].[Na;v0+].[Na;v0+].[#7]-c1ccn(-[#6@@H]-2-[#8]-[#6@H](-[#6]-[#8]P([#8-])(=O)[#8]-[#6@@H](-c3cccc(-[#8]-c4ccccc4)c3)P([#8-])([#8-])=O)-[#6@@H](-[#8])-[#6@H]-2-[#8])c(=O)n1

InChI Key: InChIKey=SHDOSRBONQBOED-GYKYLPKRSA-K

Data: 1 KI

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 2 hits for monomerid = 50501640   

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
Beta-galactoside alpha-2,6-sialyltransferase 1 (Homo sapiens (Human))	BDBM50501640 (CHEMBL4102509) Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[#7]-c1ccn(-[#6@@H]-2-[#8]-[#6@H](-[#6]-[#8]P([#8-])(=O)[#8]-[#6@@H](-c3cccc(-[#8]-c4ccccc4)c3)P([#8-])([#8-])=O)-[#6@@H](-[#8])-[#6@H]-2-[#8])c(=O)n1 |r| Show InChI InChI=1S/C22H25N3O12P2.3Na/c23-17-9-10-25(22(28)24-17)20-19(27)18(26)16(36-20)12-34-39(32,33)37-21(38(29,30)31)13-5-4-8-15(11-13)35-14-6-2-1-3-7-14;;;/h1-11,16,18-21,26-27H,12H2,(H,32,33)(H2,23,24,28)(H2,29,30,31);;;/q;3*+1/p-3/t16-,18-,19-,20-,21-;;;/m1.../s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged ST6Gal-1 (44 to 406 residues) using CMP-Neu5Ac as substrate after 20 mins by UV/RP-HPLC method				J Med Chem 60: 2135-2141 (2017) Article DOI: 10.1021/acs.jmedchem.6b01644 BindingDB Entry DOI: 10.7270/Q2XP77Z0
					More data for this Ligand-Target Pair
Beta-galactoside alpha-2,6-sialyltransferase 1 (Rattus norvegicus)	BDBM50501640 (CHEMBL4102509) Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[#7]-c1ccn(-[#6@@H]-2-[#8]-[#6@H](-[#6]-[#8]P([#8-])(=O)[#8]-[#6@@H](-c3cccc(-[#8]-c4ccccc4)c3)P([#8-])([#8-])=O)-[#6@@H](-[#8])-[#6@H]-2-[#8])c(=O)n1 |r| Show InChI InChI=1S/C22H25N3O12P2.3Na/c23-17-9-10-25(22(28)24-17)20-19(27)18(26)16(36-20)12-34-39(32,33)37-21(38(29,30)31)13-5-4-8-15(11-13)35-14-6-2-1-3-7-14;;;/h1-11,16,18-21,26-27H,12H2,(H,32,33)(H2,23,24,28)(H2,29,30,31);;;/q;3*+1/p-3/t16-,18-,19-,20-,21-;;;/m1.../s1	NCI pathway Reactome pathway KEGG DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair