Compile Data Set for Download or QSAR

Found 16 hits with Last Name = 'spreafico' and Initial = 'm'   

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
Asialoglycoprotein receptor 1 (Homo sapiens (Human))	BDBM50304486 ((3R,4R,5R,6R)-3-acetamido-6-(acetoxymethyl)tetrahy...) Show SMILES CC(=O)N[C@H]1C(OC(C)=O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |r| Show InChI InChI=1S/C16H23NO10/c1-7(18)17-13-15(25-10(4)21)14(24-9(3)20)12(6-23-8(2)19)27-16(13)26-11(5)22/h12-16H,6H2,1-5H3,(H,17,18)/t12-,13-,14+,15-,16?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.13E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of D-GalNAc-PAA binding to human recombinant ASGPR1 carbohydrate recognition domain expressed in Escherichia coli AD494 by competitive sol...				Bioorg Med Chem 17: 7254-64 (2009) Article DOI: 10.1016/j.bmc.2009.08.049 BindingDB Entry DOI: 10.7270/Q2NK3G09
					More data for this Ligand-Target Pair
Asialoglycoprotein receptor 1 (Homo sapiens (Human))	BDBM50077229 (CHEMBL300520 | beta-D-galactopyranose | beta-D-gal...) Show SMILES OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.05E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of D-GalNAc-PAA binding to human recombinant ASGPR1 carbohydrate recognition domain expressed in Escherichia coli AD494 by competitive sol...				Bioorg Med Chem 17: 7254-64 (2009) Article DOI: 10.1016/j.bmc.2009.08.049 BindingDB Entry DOI: 10.7270/Q2NK3G09
					More data for this Ligand-Target Pair				3D Structure (crystal)
Asialoglycoprotein receptor 1 (Homo sapiens (Human))	BDBM50304487 ((2R,3R,4S,5S,6R)-2,3,4,5-tetramethoxy-6-(methoxyme...) Show SMILES COC[C@H]1O[C@@H](OC)[C@H](OC)[C@@H](OC)[C@H]1OC |r| Show InChI InChI=1S/C11H22O6/c1-12-6-7-8(13-2)9(14-3)10(15-4)11(16-5)17-7/h7-11H,6H2,1-5H3/t7-,8+,9+,10-,11-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.83E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of D-GalNAc-PAA binding to human recombinant ASGPR1 carbohydrate recognition domain expressed in Escherichia coli AD494 by competitive sol...				Bioorg Med Chem 17: 7254-64 (2009) Article DOI: 10.1016/j.bmc.2009.08.049 BindingDB Entry DOI: 10.7270/Q2NK3G09
					More data for this Ligand-Target Pair
Asialoglycoprotein receptor 1 (Homo sapiens (Human))	BDBM50304488 ((2S,3R,4S,5S,6R)-2,3,4,5-tetramethoxy-6-(methoxyme...) Show SMILES COC[C@H]1O[C@H](OC)[C@H](OC)[C@@H](OC)[C@H]1OC |r| Show InChI InChI=1S/C11H22O6/c1-12-6-7-8(13-2)9(14-3)10(15-4)11(16-5)17-7/h7-11H,6H2,1-5H3/t7-,8+,9+,10-,11+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.83E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of D-GalNAc-PAA binding to human recombinant ASGPR1 carbohydrate recognition domain expressed in Escherichia coli AD494 by competitive sol...				Bioorg Med Chem 17: 7254-64 (2009) Article DOI: 10.1016/j.bmc.2009.08.049 BindingDB Entry DOI: 10.7270/Q2NK3G09
					More data for this Ligand-Target Pair
Asialoglycoprotein receptor 1 (Homo sapiens (Human))	BDBM50240803 (CHEMBL1614854 | Glucoside | beta-D-glucopyranose |...) Show SMILES OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of D-GalNAc-PAA binding to human recombinant ASGPR1 carbohydrate recognition domain expressed in Escherichia coli AD494 by competitive sol...				Bioorg Med Chem 17: 7254-64 (2009) Article DOI: 10.1016/j.bmc.2009.08.049 BindingDB Entry DOI: 10.7270/Q2NK3G09
					More data for this Ligand-Target Pair
Asialoglycoprotein receptor 1 (Homo sapiens (Human))	BDBM50304486 ((3R,4R,5R,6R)-3-acetamido-6-(acetoxymethyl)tetrahy...) Show SMILES CC(=O)N[C@H]1C(OC(C)=O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |r| Show InChI InChI=1S/C16H23NO10/c1-7(18)17-13-15(25-10(4)21)14(24-9(3)20)12(6-23-8(2)19)27-16(13)26-11(5)22/h12-16H,6H2,1-5H3,(H,17,18)/t12-,13-,14+,15-,16?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.50E+5	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Binding affinity to human recombinant ASGPR1 carbohydrate recognition domain expressed in Escherichia coli AD494 by surface plasmon resonance spectro...				Bioorg Med Chem 17: 7254-64 (2009) Article DOI: 10.1016/j.bmc.2009.08.049 BindingDB Entry DOI: 10.7270/Q2NK3G09
					More data for this Ligand-Target Pair
Asialoglycoprotein receptor 1 (Homo sapiens (Human))	BDBM50077229 (CHEMBL300520 | beta-D-galactopyranose | beta-D-gal...) Show SMILES OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	1.46E+6	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Binding affinity to human recombinant ASGPR1 carbohydrate recognition domain expressed in Escherichia coli AD494 by surface plasmon resonance spectro...				Bioorg Med Chem 17: 7254-64 (2009) Article DOI: 10.1016/j.bmc.2009.08.049 BindingDB Entry DOI: 10.7270/Q2NK3G09
					More data for this Ligand-Target Pair				3D Structure (crystal)
Asialoglycoprotein receptor 1 (Homo sapiens (Human))	BDBM50304487 ((2R,3R,4S,5S,6R)-2,3,4,5-tetramethoxy-6-(methoxyme...) Show SMILES COC[C@H]1O[C@@H](OC)[C@H](OC)[C@@H](OC)[C@H]1OC |r| Show InChI InChI=1S/C11H22O6/c1-12-6-7-8(13-2)9(14-3)10(15-4)11(16-5)17-7/h7-11H,6H2,1-5H3/t7-,8+,9+,10-,11-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.20E+6	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Binding affinity to human recombinant ASGPR1 carbohydrate recognition domain expressed in Escherichia coli AD494 by surface plasmon resonance spectro...				Bioorg Med Chem 17: 7254-64 (2009) Article DOI: 10.1016/j.bmc.2009.08.049 BindingDB Entry DOI: 10.7270/Q2NK3G09
					More data for this Ligand-Target Pair
Asialoglycoprotein receptor 1 (Homo sapiens (Human))	BDBM50304488 ((2S,3R,4S,5S,6R)-2,3,4,5-tetramethoxy-6-(methoxyme...) Show SMILES COC[C@H]1O[C@H](OC)[C@H](OC)[C@@H](OC)[C@H]1OC |r| Show InChI InChI=1S/C11H22O6/c1-12-6-7-8(13-2)9(14-3)10(15-4)11(16-5)17-7/h7-11H,6H2,1-5H3/t7-,8+,9+,10-,11+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.76E+6	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Binding affinity to human recombinant ASGPR1 carbohydrate recognition domain expressed in Escherichia coli AD494 by surface plasmon resonance spectro...				Bioorg Med Chem 17: 7254-64 (2009) Article DOI: 10.1016/j.bmc.2009.08.049 BindingDB Entry DOI: 10.7270/Q2NK3G09
					More data for this Ligand-Target Pair
Asialoglycoprotein receptor 1 (Homo sapiens (Human))	BDBM50240803 (CHEMBL1614854 | Glucoside | beta-D-glucopyranose |...) Show SMILES OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Binding affinity to human recombinant ASGPR1 carbohydrate recognition domain expressed in Escherichia coli AD494 by surface plasmon resonance spectro...				Bioorg Med Chem 17: 7254-64 (2009) Article DOI: 10.1016/j.bmc.2009.08.049 BindingDB Entry DOI: 10.7270/Q2NK3G09
					More data for this Ligand-Target Pair
Myelin-associated glycoprotein (Mus musculus)	BDBM50327100 (CHEMBL1254194 | sodium(1R,3R,4R,5S)-5-acetamido-1-...) Show SMILES CC(=O)N[C@H]1C[C@](C[C@@H](OCCNC(=O)c2ccc(Cl)cc2)[C@@H]1NC(=O)CF)(OCc1ccccc1)C([O-])=O |r| Show InChI InChI=1S/C27H31ClFN3O7/c1-17(33)31-21-13-27(26(36)37,39-16-18-5-3-2-4-6-18)14-22(24(21)32-23(34)15-29)38-12-11-30-25(35)19-7-9-20(28)10-8-19/h2-10,21-22,24H,11-16H2,1H3,(H,30,35)(H,31,33)(H,32,34)(H,36,37)/p-1/t21-,22+,24+,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	>8.00E+5	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Binding affinity to mouse MAGd1-3Fc domain expressed in CHO-Lec1 cells by surface plasmon resonance				Bioorg Med Chem 18: 7239-51 (2010) Article DOI: 10.1016/j.bmc.2010.08.027 BindingDB Entry DOI: 10.7270/Q2CV4J0S
					More data for this Ligand-Target Pair
Myelin-associated glycoprotein (Mus musculus)	BDBM50327099 (CHEMBL1253679 | sodium2R,4S,5R,6R)-6-((1R,2R)-3-(4...) Show SMILES O[C@H](CNC(=O)c1ccc(Cl)cc1)[C@@H](O)[C@@H]1O[C@@](C[C@H](O)[C@H]1NC(=O)CF)(OCc1cccc(F)c1F)C([O-])=O |r| Show InChI InChI=1S/C25H26ClF3N2O9/c26-14-6-4-12(5-7-14)23(36)30-10-17(33)21(35)22-20(31-18(34)9-27)16(32)8-25(40-22,24(37)38)39-11-13-2-1-3-15(28)19(13)29/h1-7,16-17,20-22,32-33,35H,8-11H2,(H,30,36)(H,31,34)(H,37,38)/p-1/t16-,17+,20+,21+,22+,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Binding affinity to mouse MAGd1-3Fc domain expressed in CHO-Lec1 cells by surface plasmon resonance				Bioorg Med Chem 18: 7239-51 (2010) Article DOI: 10.1016/j.bmc.2010.08.027 BindingDB Entry DOI: 10.7270/Q2CV4J0S
					More data for this Ligand-Target Pair
Myelin-associated glycoprotein (Mus musculus)	BDBM50327098 (CHEMBL1254099 | sodium(2R,4S,5R,6R)-5-acetamido-6-...) Show SMILES CC(=O)N[C@@H]1[C@@H](O)C[C@@](OCc2ccccc2)(O[C@H]1[C@H](O)[C@H](O)CNC(=O)c1ccccc1)C([O-])=O |r| Show InChI InChI=1S/C25H30N2O9/c1-15(28)27-20-18(29)12-25(24(33)34,35-14-16-8-4-2-5-9-16)36-22(20)21(31)19(30)13-26-23(32)17-10-6-3-7-11-17/h2-11,18-22,29-31H,12-14H2,1H3,(H,26,32)(H,27,28)(H,33,34)/p-1/t18-,19+,20+,21+,22+,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Binding affinity to mouse MAGd1-3Fc domain expressed in CHO-Lec1 cells by surface plasmon resonance				Bioorg Med Chem 18: 7239-51 (2010) Article DOI: 10.1016/j.bmc.2010.08.027 BindingDB Entry DOI: 10.7270/Q2CV4J0S
					More data for this Ligand-Target Pair
Myelin-associated glycoprotein (Homo sapiens (Human))	BDBM50292880 (2-(Trimethylsilyl)ethyl (Sodium 5-Acetamido-9-benz...) Show SMILES CC(=O)N[C@@H]1[C@@H](O)C[C@@](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](OCC[Si](C)(C)C)[C@@H]3O)[C@@H]2O)(O[C@H]1[C@@H](O)[C@H](O)CNC(=O)c1ccccc1)C([O-])=O |r| Show InChI InChI=1S/C35H56N2O19Si/c1-16(40)37-22-18(41)12-35(34(49)50,55-28(22)23(43)19(42)13-36-31(48)17-8-6-5-7-9-17)56-30-25(45)21(15-39)53-33(27(30)47)54-29-24(44)20(14-38)52-32(26(29)46)51-10-11-57(2,3)4/h5-9,18-30,32-33,38-39,41-47H,10-15H2,1-4H3,(H,36,48)(H,37,40)(H,49,50)/p-1/t18-,19+,20+,21+,22+,23-,24-,25-,26+,27+,28+,29-,30-,32+,33-,35-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.26E+4	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Binding affinity to human IgG Fc-domain tagged MAG N-terminal domain expressed in CHO cells by surface plasmon resonance				J Med Chem 52: 989-1004 (2009) Article DOI: 10.1021/jm801058n BindingDB Entry DOI: 10.7270/Q2QV3MH2
					More data for this Ligand-Target Pair
Myelin-associated glycoprotein (Homo sapiens (Human))	BDBM50292878 ((Sodium 5-Acetamido-9-(4-chlorobenzamido)-3,5,9-tr...) Show SMILES CC(=O)N[C@@H]1[C@@H](O)C[C@@](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]3CCO[C@H](COc4ccc(cc4)-c4ccccc4)[C@@H]3O)[C@@H]2O)(O[C@H]1[C@@H](O)[C@H](O)CNC(=O)c1ccc(Cl)cc1)C([O-])=O |r| Show InChI InChI=1S/C42H51ClN2O17/c1-21(47)45-32-27(48)17-42(41(55)56,61-37(32)33(50)28(49)18-44-39(54)24-7-11-25(43)12-8-24)62-38-35(52)30(19-46)60-40(36(38)53)59-29-15-16-57-31(34(29)51)20-58-26-13-9-23(10-14-26)22-5-3-2-4-6-22/h2-14,27-38,40,46,48-53H,15-20H2,1H3,(H,44,54)(H,45,47)(H,55,56)/p-1/t27-,28+,29+,30+,31+,32+,33-,34+,35-,36+,37+,38-,40+,42-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.83E+3	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Binding affinity to human IgG Fc-domain tagged MAG N-terminal domain expressed in CHO cells by surface plasmon resonance				J Med Chem 52: 989-1004 (2009) Article DOI: 10.1021/jm801058n BindingDB Entry DOI: 10.7270/Q2QV3MH2
					More data for this Ligand-Target Pair
Myelin-associated glycoprotein (Homo sapiens (Human))	BDBM50292879 ((Sodium 5-Acetamido-9-benzamido-3,5,9-trideoxy-D-g...) Show SMILES CC(=O)N[C@@H]1[C@@H](O)C[C@@](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]3CCO[C@H](COc4ccc(cc4)-c4ccccc4)[C@@H]3O)[C@@H]2O)(O[C@H]1[C@@H](O)[C@H](O)CNC(=O)c1ccccc1)C([O-])=O |r| Show InChI InChI=1S/C42H52N2O17/c1-22(46)44-32-27(47)18-42(41(54)55,60-37(32)33(49)28(48)19-43-39(53)25-10-6-3-7-11-25)61-38-35(51)30(20-45)59-40(36(38)52)58-29-16-17-56-31(34(29)50)21-57-26-14-12-24(13-15-26)23-8-4-2-5-9-23/h2-15,27-38,40,45,47-52H,16-21H2,1H3,(H,43,53)(H,44,46)(H,54,55)/p-1/t27-,28+,29+,30+,31+,32+,33-,34+,35-,36+,37+,38-,40+,42-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Binding affinity to human IgG Fc-domain tagged MAG N-terminal domain expressed in CHO cells by surface plasmon resonance				J Med Chem 52: 989-1004 (2009) Article DOI: 10.1021/jm801058n BindingDB Entry DOI: 10.7270/Q2QV3MH2
					More data for this Ligand-Target Pair