BDBM125937 6-Methoxy-N,9-bis[(1-{[(2R,3R,4S,5R,6S)-3,4,5-tris(benzyloxy)-tetrahydro-6-methoxy-2H-pyran-2- yl]methyl}-1H-1,2,3-triazol-4-yl)methyl]-9H-purin-2-amine (15)

SMILES: CO[C@H]1O[C@H](Cn2cc(CNc3nc(OC)c4ncn(Cc5cn(C[C@H]6O[C@H](OC)[C@H](OCc7ccccc7)[C@@H](OCc7ccccc7)[C@@H]6OCc6ccccc6)nn5)c4n3)nn2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1

InChI Key: InChIKey=VKFAGBJIKPAJGL-UQTHDBSGSA-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 = 125937   

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))	BDBM125937 (6-Methoxy-N,9-bis[(1-{[(2R,3R,4S,5R,6S)-3,4,5-tris...) Show SMILES CO[C@H]1O[C@H](Cn2cc(CNc3nc(OC)c4ncn(Cc5cn(C[C@H]6O[C@H](OC)[C@H](OCc7ccccc7)[C@@H](OCc7ccccc7)[C@@H]6OCc6ccccc6)nn5)c4n3)nn2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 Show InChI InChI=1S/C68H73N11O11/c1-80-65-57-64(77(46-70-57)35-54-37-79(76-74-54)39-56-59(84-41-48-24-12-5-13-25-48)61(86-43-50-28-16-7-17-29-50)63(67(82-3)90-56)88-45-52-32-20-9-21-33-52)71-68(72-65)69-34-53-36-78(75-73-53)38-55-58(83-40-47-22-10-4-11-23-47)60(85-42-49-26-14-6-15-27-49)62(66(81-2)89-55)87-44-51-30-18-8-19-31-51/h4-33,36-37,46,55-56,58-63,66-67H,34-35,38-45H2,1-3H3,(H,69,71,72)/t55-,56-,58-,59-,60+,61+,62-,63-,66+,67+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a	6.5	n/a
East China University of Science and Technology					Assay Description Enzymatic activity of enzyme was evaluated using pNPP assay. Briefly, a reaction mixture (100 µL) containing 50 mM MOPS (pH 6.5), 2 mM pNPP and recom...				Chem Biodivers 8: 2035-44 (2011) Article DOI: 10.1002/cbdv.201000242 BindingDB Entry DOI: 10.7270/Q2668BVX
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human))	BDBM125937 (6-Methoxy-N,9-bis[(1-{[(2R,3R,4S,5R,6S)-3,4,5-tris...) Show SMILES CO[C@H]1O[C@H](Cn2cc(CNc3nc(OC)c4ncn(Cc5cn(C[C@H]6O[C@H](OC)[C@H](OCc7ccccc7)[C@@H](OCc7ccccc7)[C@@H]6OCc6ccccc6)nn5)c4n3)nn2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 Show InChI InChI=1S/C68H73N11O11/c1-80-65-57-64(77(46-70-57)35-54-37-79(76-74-54)39-56-59(84-41-48-24-12-5-13-25-48)61(86-43-50-28-16-7-17-29-50)63(67(82-3)90-56)88-45-52-32-20-9-21-33-52)71-68(72-65)69-34-53-36-78(75-73-53)38-55-58(83-40-47-22-10-4-11-23-47)60(85-42-49-26-14-6-15-27-49)62(66(81-2)89-55)87-44-51-30-18-8-19-31-51/h4-33,36-37,46,55-56,58-63,66-67H,34-35,38-45H2,1-3H3,(H,69,71,72)/t55-,56-,58-,59-,60+,61+,62-,63-,66+,67+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.62E+4	n/a	n/a	n/a	n/a	6.5	n/a
East China University of Science and Technology					Assay Description Enzymatic activity of enzyme was evaluated using pNPP assay. Briefly, a reaction mixture (100 µL) containing 50 mM MOPS (pH 6.5), 2 mM pNPP and recom...				Chem Biodivers 8: 2035-44 (2011) Article DOI: 10.1002/cbdv.201000242 BindingDB Entry DOI: 10.7270/Q2668BVX
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM125937 (6-Methoxy-N,9-bis[(1-{[(2R,3R,4S,5R,6S)-3,4,5-tris...) Show SMILES CO[C@H]1O[C@H](Cn2cc(CNc3nc(OC)c4ncn(Cc5cn(C[C@H]6O[C@H](OC)[C@H](OCc7ccccc7)[C@@H](OCc7ccccc7)[C@@H]6OCc6ccccc6)nn5)c4n3)nn2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 Show InChI InChI=1S/C68H73N11O11/c1-80-65-57-64(77(46-70-57)35-54-37-79(76-74-54)39-56-59(84-41-48-24-12-5-13-25-48)61(86-43-50-28-16-7-17-29-50)63(67(82-3)90-56)88-45-52-32-20-9-21-33-52)71-68(72-65)69-34-53-36-78(75-73-53)38-55-58(83-40-47-22-10-4-11-23-47)60(85-42-49-26-14-6-15-27-49)62(66(81-2)89-55)87-44-51-30-18-8-19-31-51/h4-33,36-37,46,55-56,58-63,66-67H,34-35,38-45H2,1-3H3,(H,69,71,72)/t55-,56-,58-,59-,60+,61+,62-,63-,66+,67+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	6.5	n/a
East China University of Science and Technology					Assay Description Enzymatic activity of enzyme was evaluated using pNPP assay. Briefly, a reaction mixture (100 µL) containing 50 mM MOPS (pH 6.5), 2 mM pNPP and recom...				Chem Biodivers 8: 2035-44 (2011) Article DOI: 10.1002/cbdv.201000242 BindingDB Entry DOI: 10.7270/Q2668BVX
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1C (Homo sapiens (Human))	BDBM125937 (6-Methoxy-N,9-bis[(1-{[(2R,3R,4S,5R,6S)-3,4,5-tris...) Show SMILES CO[C@H]1O[C@H](Cn2cc(CNc3nc(OC)c4ncn(Cc5cn(C[C@H]6O[C@H](OC)[C@H](OCc7ccccc7)[C@@H](OCc7ccccc7)[C@@H]6OCc6ccccc6)nn5)c4n3)nn2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 Show InChI InChI=1S/C68H73N11O11/c1-80-65-57-64(77(46-70-57)35-54-37-79(76-74-54)39-56-59(84-41-48-24-12-5-13-25-48)61(86-43-50-28-16-7-17-29-50)63(67(82-3)90-56)88-45-52-32-20-9-21-33-52)71-68(72-65)69-34-53-36-78(75-73-53)38-55-58(83-40-47-22-10-4-11-23-47)60(85-42-49-26-14-6-15-27-49)62(66(81-2)89-55)87-44-51-30-18-8-19-31-51/h4-33,36-37,46,55-56,58-63,66-67H,34-35,38-45H2,1-3H3,(H,69,71,72)/t55-,56-,58-,59-,60+,61+,62-,63-,66+,67+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	6.5	n/a
East China University of Science and Technology					Assay Description Enzymatic activity of enzyme was evaluated using pNPP assay. Briefly, a reaction mixture (100 µL) containing 50 mM MOPS (pH 6.5), 2 mM pNPP and recom...				Chem Biodivers 8: 2035-44 (2011) Article DOI: 10.1002/cbdv.201000242 BindingDB Entry DOI: 10.7270/Q2668BVX
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase F (LAR) (Homo sapiens (Human))	BDBM125937 (6-Methoxy-N,9-bis[(1-{[(2R,3R,4S,5R,6S)-3,4,5-tris...) Show SMILES CO[C@H]1O[C@H](Cn2cc(CNc3nc(OC)c4ncn(Cc5cn(C[C@H]6O[C@H](OC)[C@H](OCc7ccccc7)[C@@H](OCc7ccccc7)[C@@H]6OCc6ccccc6)nn5)c4n3)nn2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 Show InChI InChI=1S/C68H73N11O11/c1-80-65-57-64(77(46-70-57)35-54-37-79(76-74-54)39-56-59(84-41-48-24-12-5-13-25-48)61(86-43-50-28-16-7-17-29-50)63(67(82-3)90-56)88-45-52-32-20-9-21-33-52)71-68(72-65)69-34-53-36-78(75-73-53)38-55-58(83-40-47-22-10-4-11-23-47)60(85-42-49-26-14-6-15-27-49)62(66(81-2)89-55)87-44-51-30-18-8-19-31-51/h4-33,36-37,46,55-56,58-63,66-67H,34-35,38-45H2,1-3H3,(H,69,71,72)/t55-,56-,58-,59-,60+,61+,62-,63-,66+,67+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	6.5	n/a
East China University of Science and Technology					Assay Description Enzymatic activity of enzyme was evaluated using pNPP assay. Briefly, a reaction mixture (100 µL) containing 50 mM MOPS (pH 6.5), 2 mM pNPP and recom...				Chem Biodivers 8: 2035-44 (2011) Article DOI: 10.1002/cbdv.201000242 BindingDB Entry DOI: 10.7270/Q2668BVX
					More data for this Ligand-Target Pair