Marvin 2D Structure

Wt: 258.2 BDBM50293266	Wt: 271.2 BDBM50293267	Wt: 259.1 BDBM50275807	Wt: 268.1 BDBM50275808	Wt: 269.2 BDBM50275809
Wt: 473.4 BDBM582005	Wt: 530.4 BDBM582006	Wt: 494.4 BDBM582007	Wt: 590.5 BDBM582008	Wt: 608.6 BDBM582009
Wt: 608.6 BDBM582010	Wt: 592.5 BDBM582011	Wt: 592.5 BDBM582012	Wt: 948.9 BDBM582014	Wt: 1518.4 BDBM582016

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 16 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cation-dependent mannose-6-phosphate receptor (Homo sapiens (Human))	BDBM582014 (WO2023288015, Compound Table12B.771) Show SMILES CC(=O)NN[C@@H](CCCCn1cc(CCCCNC(=O)Nc2ccc(O[C@H]3O[C@H](CCP(O)(O)=O)[C@@H](O)[C@H](O)[C@@H]3O)cc2)nn1)C(=O)NCCOCCOCCOCCOCCC(O)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2023288015	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description M6PR binding was measured in black 96-well plates using a fluorescence polarization assay. A fluorescent probe consisting of a reference M6Pn ligand ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2TX3K67
					More data for this Ligand-Target Pair
Cation-dependent mannose-6-phosphate receptor (Homo sapiens (Human))	BDBM582012 (WO2023288015, Compound P1) Show SMILES O[C@@H]1[C@@H](CCP(O)(O)=O)O[C@@H](Oc2ccc(NC(=O)NCCCCc3cn(nn3)-c3cccnc3)cc2)[C@@H](O)[C@H]1O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2023288015	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description M6PR binding was measured in black 96-well plates using a fluorescence polarization assay. A fluorescent probe consisting of a reference M6Pn ligand ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2TX3K67
					More data for this Ligand-Target Pair
Cation-dependent mannose-6-phosphate receptor (Homo sapiens (Human))	BDBM582011 (WO2023288015, Compound P2) Show SMILES O[C@@H]1[C@@H](CCP(O)(O)=O)O[C@H](Oc2ccc(NC(=O)NCCCCc3cn(nn3)-c3cccnc3)cc2)[C@@H](O)[C@H]1O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2023288015	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description M6PR binding was measured in black 96-well plates using a fluorescence polarization assay. A fluorescent probe consisting of a reference M6Pn ligand ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2TX3K67
					More data for this Ligand-Target Pair
Cation-dependent mannose-6-phosphate receptor (Homo sapiens (Human))	BDBM582010 (WO2023288015, Compound P3) Show SMILES O[C@@H]1[C@@H](CCP(O)(O)=O)O[C@@H](Sc2ccc(NC(=O)NCCCCc3cn(nn3)-c3cccnc3)cc2)[C@@H](O)[C@H]1O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2023288015	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description M6PR binding was measured in black 96-well plates using a fluorescence polarization assay. A fluorescent probe consisting of a reference M6Pn ligand ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2TX3K67
					More data for this Ligand-Target Pair
Cation-dependent mannose-6-phosphate receptor (Homo sapiens (Human))	BDBM582007 (WO2023288015, Compound I-68) Show SMILES O[C@H]1[C@H](O)[C@@H](CCP(O)(O)=O)O[C@H](Oc2ccc3cc(NC(=O)CCCC#N)ccc3c2)[C@H]1O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2023288015	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description M6PR binding was measured in black 96-well plates using a fluorescence polarization assay. A fluorescent probe consisting of a reference M6Pn ligand ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2TX3K67
					More data for this Ligand-Target Pair
Cation-dependent mannose-6-phosphate receptor (Homo sapiens (Human))	BDBM582008 (WO2023288015, Compound P5) Show SMILES O[C@@H]1[C@@H](CCP(O)(O)=O)O[C@H](Cc2ccc(NC(=O)NCCCCc3cn(nn3)-c3cccnc3)cc2)[C@@H](O)[C@H]1O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2023288015	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description M6PR binding was measured in black 96-well plates using a fluorescence polarization assay. A fluorescent probe consisting of a reference M6Pn ligand ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2TX3K67
					More data for this Ligand-Target Pair
Cation-dependent mannose-6-phosphate receptor (Homo sapiens (Human))	BDBM582005 (WO2023288015, Compound 38C) Show SMILES O[C@H]1[C@H](O)[C@@H](CCP(O)(O)=O)O[C@H](Oc2ccc(NC(=O)NCCCCC#N)cc2)[C@H]1O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2023288015	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description M6PR binding was measured in black 96-well plates using a fluorescence polarization assay. A fluorescent probe consisting of a reference M6Pn ligand ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2TX3K67
					More data for this Ligand-Target Pair
Cation-dependent mannose-6-phosphate receptor (Homo sapiens (Human))	BDBM582016 (WO2023288015, Compound Table12B.769) Show SMILES CC(=O)NN(CCCCn1cc(CCCCNC(=O)Nc2ccc(O[C@H]3O[C@H](CCP(O)(O)=O)[C@@H](O)[C@H](O)[C@@H]3O)cc2)nn1)[C@@H](CCCCn1cc(CCCCNC(=O)Nc2ccc(O[C@H]3O[C@H](CCP(O)(O)=O)[C@@H](O)[C@H](O)[C@@H]3O)cc2)nn1)C(=O)NCCOCCOCCOCCOCCC(O)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2023288015	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description M6PR binding was measured in black 96-well plates using a fluorescence polarization assay. A fluorescent probe consisting of a reference M6Pn ligand ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2TX3K67
					More data for this Ligand-Target Pair
Cation-dependent mannose-6-phosphate receptor (Homo sapiens (Human))	BDBM582009 (WO2023288015, Compound P4) Show SMILES O[C@@H]1[C@@H](CCP(O)(O)=O)O[C@H](Sc2ccc(NC(=O)NCCCCc3cn(nn3)-c3cccnc3)cc2)[C@@H](O)[C@H]1O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2023288015	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description M6PR binding was measured in black 96-well plates using a fluorescence polarization assay. A fluorescent probe consisting of a reference M6Pn ligand ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2TX3K67
					More data for this Ligand-Target Pair
Cation-dependent mannose-6-phosphate receptor (Homo sapiens (Human))	BDBM582006 (WO2023288015, Compound I-108) Show SMILES CO[C@H]1O[C@H](CONCCCCC#N)[C@@H](O)[C@H](O)C1O[C@H]1O[C@H](CCP(O)(O)=O)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2023288015	n/a	n/a	>500	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description M6PR binding was measured in black 96-well plates using a fluorescence polarization assay. A fluorescent probe consisting of a reference M6Pn ligand ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2TX3K67
					More data for this Ligand-Target Pair
Cation-independent mannose-6-phosphate receptor (Homo sapiens (Human))	BDBM50275807 (mannose 6-phosphate) Show SMILES O[C@H]1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/p-1/t2-,3-,4+,5+,6+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.15E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Curated by ChEMBL					Assay Description Displacement of pentamannosyl phosphate bovine serum albumin from M6P/IGF2R				Bioorg Med Chem Lett 18: 3085-9 (2008) Article DOI: 10.1016/j.bmcl.2007.11.094 BindingDB Entry DOI: 10.7270/Q28G8MJK
					More data for this Ligand-Target Pair
Cation-dependent mannose-6-phosphate receptor (Homo sapiens (Human))	BDBM50275808 (CHEMBL470777 | sodium-2-((2R,3S,4S,5S,6S)-3,4,5-tr...) Show SMILES CO[C@H]1O[C@H](\C=C\P([O-])([O-])=O)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C8H15O8P/c1-15-8-7(11)6(10)5(9)4(16-8)2-3-17(12,13)14/h2-11H,1H3,(H2,12,13,14)/p-2/b3-2+/t4-,5-,6+,7+,8+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Montpellier 2 et 1 Curated by ChEMBL					Assay Description Binding affinity to CI-M6PR				Bioorg Med Chem Lett 18: 6240-3 (2008) Article DOI: 10.1016/j.bmcl.2008.09.101 BindingDB Entry DOI: 10.7270/Q2WD41HG
					More data for this Ligand-Target Pair
Cation-dependent mannose-6-phosphate receptor (Homo sapiens (Human))	BDBM50275807 (mannose 6-phosphate) Show SMILES O[C@H]1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/p-1/t2-,3-,4+,5+,6+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Montpellier 2 et 1 Curated by ChEMBL					Assay Description Binding affinity to CI-M6PR				Bioorg Med Chem Lett 18: 6240-3 (2008) Article DOI: 10.1016/j.bmcl.2008.09.101 BindingDB Entry DOI: 10.7270/Q2WD41HG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cation-dependent mannose-6-phosphate receptor (Homo sapiens (Human))	BDBM50275809 (CHEMBL470778 | sodium 2-((2R,3S,4S,5S,6S)-3,4,5-tr...) Show SMILES CO[C@H]1O[C@H](\C=C\S([O-])(=O)=O)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C8H14O8S/c1-15-8-7(11)6(10)5(9)4(16-8)2-3-17(12,13)14/h2-11H,1H3,(H,12,13,14)/p-1/b3-2+/t4-,5-,6+,7+,8+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Montpellier 2 et 1 Curated by ChEMBL					Assay Description Binding affinity to CI-M6PR				Bioorg Med Chem Lett 18: 6240-3 (2008) Article DOI: 10.1016/j.bmcl.2008.09.101 BindingDB Entry DOI: 10.7270/Q2WD41HG
					More data for this Ligand-Target Pair
Cation-dependent mannose-6-phosphate receptor (Homo sapiens (Human))	BDBM50293267 (CHEMBL469556 | sodium 2-((2R,3S,4S,5S,6S)-3,4,5-tr...) Show SMILES CO[C@H]1O[C@H](CCS([O-])(=O)=O)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C8H16O8S/c1-15-8-7(11)6(10)5(9)4(16-8)2-3-17(12,13)14/h4-11H,2-3H2,1H3,(H,12,13,14)/p-1/t4-,5-,6+,7+,8+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Montpellier 2 et 1 Curated by ChEMBL					Assay Description Binding affinity to CI-M6PR				Bioorg Med Chem Lett 18: 6240-3 (2008) Article DOI: 10.1016/j.bmcl.2008.09.101 BindingDB Entry DOI: 10.7270/Q2WD41HG
					More data for this Ligand-Target Pair
Cation-dependent mannose-6-phosphate receptor (Homo sapiens (Human))	BDBM50293266 (CHEMBL510805 | mannose 6-sulfonate) Show SMILES O[C@H]1O[C@H](CCS(O)(=O)=O)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C7H14O8S/c8-4-3(1-2-16(12,13)14)15-7(11)6(10)5(4)9/h3-11H,1-2H2,(H,12,13,14)/t3-,4-,5+,6+,7+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Montpellier 2 et 1 Curated by ChEMBL					Assay Description Binding affinity to CI-M6PR				Bioorg Med Chem Lett 18: 6240-3 (2008) Article DOI: 10.1016/j.bmcl.2008.09.101 BindingDB Entry DOI: 10.7270/Q2WD41HG
					More data for this Ligand-Target Pair