Compile Data Set for Download or QSAR

Found 352 hits with Last Name = 'pinto' 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
Neuraminidase (Influenza A virus)	BDBM50330326 ((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...) Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H]-1-[#6@H](-[#6]=[#6](-[#8]-[#6@H]-1-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](\[#7])-[#7] |r,c:6| Show InChI InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9+,10+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of influenza A nuraminidase N1				J Med Chem 53: 7377-91 (2010) Article DOI: 10.1021/jm100822f BindingDB Entry DOI: 10.7270/Q2S75K5B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (Influenza A virus)	BDBM50343682 (((1S,5R,6R)-6-acetamido-3-carboxy-5-(pentan-3-ylox...) Show SMILES [#6]-[#6]-[#6](-[#6]-[#6])-[#8]-[#6@@H]-1-[#6]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]-1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O |r,c:8| Show InChI InChI=1S/C15H26N4O4/c1-4-10(5-2)23-12-7-9(14(21)22)6-11(19-15(16)17)13(12)18-8(3)20/h6,10-13H,4-5,7H2,1-3H3,(H,18,20)(H,21,22)(H4,16,17,19)/t11-,12+,13+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of influenza A nuraminidase N1				J Med Chem 53: 7377-91 (2010) Article DOI: 10.1021/jm100822f BindingDB Entry DOI: 10.7270/Q2S75K5B
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50343681 ((3S,4R,5R)-4-Acetamido-3-amino-5-(1-ethylpropoxy)c...) Show SMILES CCC(CC)O[C@@H]1CC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:8| Show InChI InChI=1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h6,10-13H,4-5,7,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12+,13+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of influenza A nuraminidase N1				J Med Chem 53: 7377-91 (2010) Article DOI: 10.1021/jm100822f BindingDB Entry DOI: 10.7270/Q2S75K5B
					More data for this Ligand-Target Pair
Sucrase-isomaltase, intestinal (Homo sapiens (Human))	BDBM50327504 (1,4-Dideoxy-1,4-[[2S,3S,4R,5S]-2,4,5,6-tetrahydrox...) Show SMILES CO[C@H]([C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO)[C@H](O)[C@@H](O)CO |r| Show InChI InChI=1S/C12H25O8S/c1-20-12(11(19)6(15)2-13)8(17)5-21-4-7(16)10(18)9(21)3-14/h6-19H,2-5H2,1H3/q+1/t6-,7+,8+,9+,10-,11+,12+,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal Sucrase-isomaltase by Lineweaver-Burk plot analysis				Bioorg Med Chem Lett 21: 6491-4 (2011) Article DOI: 10.1016/j.bmcl.2011.08.069 BindingDB Entry DOI: 10.7270/Q2Q81DHZ
					More data for this Ligand-Target Pair
Maltase-glucoamylase (Homo sapiens (Human))	BDBM50327503 ((1R,2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)-1-((...) Show SMILES OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r| Show InChI InChI=1S/C11H23O8S/c12-1-5(14)10(18)11(19)7(16)4-20-3-6(15)9(17)8(20)2-13/h5-19H,1-4H2/q+1/t5-,6-,7-,8-,9+,10-,11-,20+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal domain of maltase-glucoamylase after 60 mins by glucose oxidase assay				Bioorg Med Chem Lett 20: 5686-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.020 BindingDB Entry DOI: 10.7270/Q2WQ0411
					More data for this Ligand-Target Pair
Maltase-glucoamylase (Homo sapiens (Human))	BDBM50330961 ((2R,3S,4S)-1-((2S,3S,4R,5R,6S)-2,3,4,5,6,7-hexahyd...) Show SMILES OC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C[Se+]1C[C@@H](O)[C@H](O)[C@H]1CO |r| Show InChI InChI=1S/C12H25O9Se/c13-1-5(15)10(19)12(21)11(20)7(17)4-22-3-6(16)9(18)8(22)2-14/h5-21H,1-4H2/q+1/t5-,6+,7+,8+,9-,10+,11+,12+,22?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal subunit of maltase-glucoamylase after 60 mins by glucose oxidase assay				Bioorg Med Chem 18: 7794-8 (2010) Article DOI: 10.1016/j.bmc.2010.09.059 BindingDB Entry DOI: 10.7270/Q2TT4RZH
					More data for this Ligand-Target Pair
Maltase-glucoamylase (Homo sapiens (Human))	BDBM50330954 (CHEMBL1276973 | de-O-sulfonated kotalanol) Show SMILES OC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C[S+]1C[C@@H](O)[C@H](O)[C@H]1CO |r| Show InChI InChI=1S/C12H25O9S/c13-1-5(15)10(19)12(21)11(20)7(17)4-22-3-6(16)9(18)8(22)2-14/h5-21H,1-4H2/q+1/t5-,6+,7+,8+,9-,10+,11+,12+,22?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal subunit of maltase-glucoamylase after 60 mins by glucose oxidase assay				Bioorg Med Chem 18: 7794-8 (2010) Article DOI: 10.1016/j.bmc.2010.09.059 BindingDB Entry DOI: 10.7270/Q2TT4RZH
					More data for this Ligand-Target Pair
Sucrase-isomaltase, intestinal (Homo sapiens (Human))	BDBM50327504 (1,4-Dideoxy-1,4-[[2S,3S,4R,5S]-2,4,5,6-tetrahydrox...) Show SMILES CO[C@H]([C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO)[C@H](O)[C@@H](O)CO |r| Show InChI InChI=1S/C12H25O8S/c1-20-12(11(19)6(15)2-13)8(17)5-21-4-7(16)10(18)9(21)3-14/h6-19H,2-5H2,1H3/q+1/t6-,7+,8+,9+,10-,11+,12+,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal Sucrase-isomaltase by Lineweaver-Burk plot analysis				Bioorg Med Chem Lett 21: 6491-4 (2011) Article DOI: 10.1016/j.bmcl.2011.08.069 BindingDB Entry DOI: 10.7270/Q2Q81DHZ
					More data for this Ligand-Target Pair
Maltase-glucoamylase (Homo sapiens (Human))	BDBM50327502 ((1R,2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)-1-((...) Show SMILES OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r| Show InChI InChI=1S/C11H23O8S/c12-1-5(14)10(18)11(19)7(16)4-20-3-6(15)9(17)8(20)2-13/h5-19H,1-4H2/q+1/t5-,6+,7+,8+,9-,10+,11+,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of human N-terminal maltase-glucoamylase				Bioorg Med Chem Lett 21: 6491-4 (2011) Article DOI: 10.1016/j.bmcl.2011.08.069 BindingDB Entry DOI: 10.7270/Q2Q81DHZ
					More data for this Ligand-Target Pair
Maltase-glucoamylase (Homo sapiens (Human))	BDBM50327502 ((1R,2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)-1-((...) Show SMILES OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r| Show InChI InChI=1S/C11H23O8S/c12-1-5(14)10(18)11(19)7(16)4-20-3-6(15)9(17)8(20)2-13/h5-19H,1-4H2/q+1/t5-,6+,7+,8+,9-,10+,11+,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal domain of maltase-glucoamylase after 60 mins by glucose oxidase assay				Bioorg Med Chem Lett 20: 5686-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.020 BindingDB Entry DOI: 10.7270/Q2WQ0411
					More data for this Ligand-Target Pair
Maltase-glucoamylase (Homo sapiens (Human))	BDBM50330960 ((2R,3R,4R)-1-((2R,3R,4S,5R,6S)-2,3,4,5,6,7-hexahyd...) Show SMILES OC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CN1C[C@@H](O)[C@H](O)[C@H]1CO |r| Show InChI InChI=1S/C12H25NO9/c14-3-5-9(19)6(16)1-13(5)2-7(17)10(20)12(22)11(21)8(18)4-15/h5-12,14-22H,1-4H2/t5-,6-,7-,8+,9-,10-,11-,12+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal subunit of maltase-glucoamylase after 60 mins by glucose oxidase assay				Bioorg Med Chem 18: 7794-8 (2010) Article DOI: 10.1016/j.bmc.2010.09.059 BindingDB Entry DOI: 10.7270/Q2TT4RZH
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50343684 ((3S,4R,5R)-4-Acetamido-5-(1-ethyl-propoxy)-3-[4-(1...) Show SMILES CCC(CC)O[C@@H]1CC(=C[C@@H]([C@H]1NC(C)=O)n1cc(nn1)C(O)CC)C(O)=O |r,c:8| Show InChI InChI=1S/C19H30N4O5/c1-5-13(6-2)28-17-9-12(19(26)27)8-15(18(17)20-11(4)24)23-10-14(21-22-23)16(25)7-3/h8,10,13,15-18,25H,5-7,9H2,1-4H3,(H,20,24)(H,26,27)/t15-,16?,17+,18+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of influenza A nuraminidase N1				J Med Chem 53: 7377-91 (2010) Article DOI: 10.1021/jm100822f BindingDB Entry DOI: 10.7270/Q2S75K5B
					More data for this Ligand-Target Pair
Maltase-glucoamylase (Homo sapiens (Human))	BDBM50330959 (CHEMBL1277153) Show SMILES OC[C@H](O)[C@@H](O)[C@@H](O)[C@H](OS([O-])(=O)=O)[C@H](O)C[Se+]1C[C@@H](O)[C@H](O)[C@H]1CO |r| Show InChI InChI=1S/C12H24O12SSe/c13-1-5(15)10(19)11(20)12(24-25(21,22)23)7(17)4-26-3-6(16)9(18)8(26)2-14/h5-20H,1-4H2/t5-,6+,7+,8+,9-,10+,11+,12+,26?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal subunit of maltase-glucoamylase after 60 mins by glucose oxidase assay				Bioorg Med Chem 18: 7794-8 (2010) Article DOI: 10.1016/j.bmc.2010.09.059 BindingDB Entry DOI: 10.7270/Q2TT4RZH
					More data for this Ligand-Target Pair
Maltase-glucoamylase (Homo sapiens (Human))	BDBM50316180 ((1S,2R,3S,4S)-1-{(1S)-2-[(2R,3S,4S)-3,4-dihydroxy-...) Show SMILES OC[C@H](O)[C@H](O)[C@@H](O)[C@H](OS([O-])(=O)=O)[C@H](O)C[S+]1C[C@@H](O)[C@H](O)[C@H]1CO |r| Show InChI InChI=1S/C12H24O12S2/c13-1-5(15)10(19)11(20)12(24-26(21,22)23)7(17)4-25-3-6(16)9(18)8(25)2-14/h5-20H,1-4H2/t5-,6+,7+,8+,9-,10-,11+,12+,25?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of recombinant human maltase glucoamylase N-terminal catalytic domain				Bioorg Med Chem 18: 2829-35 (2010) Article DOI: 10.1016/j.bmc.2010.03.027 BindingDB Entry DOI: 10.7270/Q22B8Z5J
					More data for this Ligand-Target Pair
Sucrase-isomaltase, intestinal (Homo sapiens (Human))	BDBM50327502 ((1R,2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)-1-((...) Show SMILES OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r| Show InChI InChI=1S/C11H23O8S/c12-1-5(14)10(18)11(19)7(16)4-20-3-6(15)9(17)8(20)2-13/h5-19H,1-4H2/q+1/t5-,6+,7+,8+,9-,10+,11+,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	103	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal Sucrase-isomaltase by Lineweaver-Burk plot analysis				Bioorg Med Chem Lett 21: 6491-4 (2011) Article DOI: 10.1016/j.bmcl.2011.08.069 BindingDB Entry DOI: 10.7270/Q2Q81DHZ
					More data for this Ligand-Target Pair
Maltase-glucoamylase (Homo sapiens (Human))	BDBM50316181 ((1S,2R,3S,4R)-1-{(1S)-2-[(2R,3S,4S)-3,4-dihydroxy-...) Show SMILES OC[C@@H](O)[C@H](O)[C@@H](O)[C@H](OS([O-])(=O)=O)[C@H](O)C[S+]1C[C@@H](O)[C@H](O)[C@H]1CO |r| Show InChI InChI=1S/C12H24O12S2/c13-1-5(15)10(19)11(20)12(24-26(21,22)23)7(17)4-25-3-6(16)9(18)8(25)2-14/h5-20H,1-4H2/t5-,6-,7-,8-,9+,10+,11-,12-,25?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of recombinant human maltase glucoamylase N-terminal catalytic domain				Bioorg Med Chem 18: 2829-35 (2010) Article DOI: 10.1016/j.bmc.2010.03.027 BindingDB Entry DOI: 10.7270/Q22B8Z5J
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50343685 ((3S,4R,5R)-4-Acetamido-5-(1-ethylpropoxy)-3-[4-(1-...) Show SMILES CCC(CC)O[C@@H]1CC(=C[C@@H]([C@H]1NC(C)=O)n1cc(nn1)C(C)(C)O)C(O)=O |r,c:8| Show InChI InChI=1S/C19H30N4O5/c1-6-13(7-2)28-15-9-12(18(25)26)8-14(17(15)20-11(3)24)23-10-16(21-22-23)19(4,5)27/h8,10,13-15,17,27H,6-7,9H2,1-5H3,(H,20,24)(H,25,26)/t14-,15+,17+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of influenza A nuraminidase N1				J Med Chem 53: 7377-91 (2010) Article DOI: 10.1021/jm100822f BindingDB Entry DOI: 10.7270/Q2S75K5B
					More data for this Ligand-Target Pair
Maltase-glucoamylase (Homo sapiens (Human))	BDBM50327501 (CHEMBL1258528 | ponkoranol) Show SMILES OC[C@H](O)[C@@H](O)[C@H](OS([O-])(=O)=O)[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r| Show InChI InChI=1S/C11H22O11S2/c12-1-5(14)10(18)11(22-24(19,20)21)7(16)4-23-3-6(15)9(17)8(23)2-13/h5-18H,1-4H2/t5-,6+,7+,8+,9-,10+,11+,23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal domain of maltase-glucoamylase after 60 mins by glucose oxidase assay				Bioorg Med Chem Lett 20: 5686-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.020 BindingDB Entry DOI: 10.7270/Q2WQ0411
					More data for this Ligand-Target Pair
Maltase-glucoamylase (Homo sapiens (Human))	BDBM50316179 ((1S,2R,3R,4S)-1-{(1S)-2-[(2R,3S,4S)-3,4-dihydroxy-...) Show SMILES OC[C@H](O)[C@@H](O)[C@@H](O)[C@H](OS([O-])(=O)=O)[C@H](O)C[S+]1C[C@@H](O)[C@H](O)[C@H]1CO |r| Show InChI InChI=1S/C12H24O12S2/c13-1-5(15)10(19)11(20)12(24-26(21,22)23)7(17)4-25-3-6(16)9(18)8(25)2-14/h5-20H,1-4H2/t5-,6+,7+,8+,9-,10+,11+,12+,25?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of recombinant human maltase glucoamylase N-terminal catalytic domain				Bioorg Med Chem 18: 2829-35 (2010) Article DOI: 10.1016/j.bmc.2010.03.027 BindingDB Entry DOI: 10.7270/Q22B8Z5J
					More data for this Ligand-Target Pair
Maltase-glucoamylase (Homo sapiens (Human))	BDBM50316179 ((1S,2R,3R,4S)-1-{(1S)-2-[(2R,3S,4S)-3,4-dihydroxy-...) Show SMILES OC[C@H](O)[C@@H](O)[C@@H](O)[C@H](OS([O-])(=O)=O)[C@H](O)C[S+]1C[C@@H](O)[C@H](O)[C@H]1CO |r| Show InChI InChI=1S/C12H24O12S2/c13-1-5(15)10(19)11(20)12(24-26(21,22)23)7(17)4-25-3-6(16)9(18)8(25)2-14/h5-20H,1-4H2/t5-,6+,7+,8+,9-,10+,11+,12+,25?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal subunit of maltase-glucoamylase after 60 mins by glucose oxidase assay				Bioorg Med Chem 18: 7794-8 (2010) Article DOI: 10.1016/j.bmc.2010.09.059 BindingDB Entry DOI: 10.7270/Q2TT4RZH
					More data for this Ligand-Target Pair
Maltase-glucoamylase (Homo sapiens (Human))	BDBM50316178 (1,4-Dideoxy-1,4-[[2S,3S,4R,5R,6R-2,4,5,6,7-pentahy...) Show SMILES OC[C@@H](O)[C@@H](O)[C@@H](O)[C@H](OS([O-])(=O)=O)[C@H](O)C[S+]1C[C@@H](O)[C@H](O)[C@H]1CO |r| Show InChI InChI=1S/C12H24O12S2/c13-1-5(15)10(19)11(20)12(24-26(21,22)23)7(17)4-25-3-6(16)9(18)8(25)2-14/h5-20H,1-4H2/t5-,6-,7-,8-,9+,10-,11-,12-,25?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of recombinant human maltase glucoamylase N-terminal catalytic domain				Bioorg Med Chem 18: 2829-35 (2010) Article DOI: 10.1016/j.bmc.2010.03.027 BindingDB Entry DOI: 10.7270/Q22B8Z5J
					More data for this Ligand-Target Pair
Sucrase-isomaltase, intestinal (Homo sapiens (Human))	BDBM50327502 ((1R,2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)-1-((...) Show SMILES OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r| Show InChI InChI=1S/C11H23O8S/c12-1-5(14)10(18)11(19)7(16)4-20-3-6(15)9(17)8(20)2-13/h5-19H,1-4H2/q+1/t5-,6+,7+,8+,9-,10+,11+,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	302	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal Sucrase-isomaltase by Lineweaver-Burk plot analysis				Bioorg Med Chem Lett 21: 6491-4 (2011) Article DOI: 10.1016/j.bmcl.2011.08.069 BindingDB Entry DOI: 10.7270/Q2Q81DHZ
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50343683 ((3S,4R,5R)-4-Acetamido-5-(1-ethylpropoxy)-3-[4-(3-...) Show SMILES CCC(CC)O[C@@H]1CC(=C[C@@H]([C@H]1NC(C)=O)n1cc(CCCO)nn1)C(O)=O |r,c:8| Show InChI InChI=1S/C19H30N4O5/c1-4-15(5-2)28-17-10-13(19(26)27)9-16(18(17)20-12(3)25)23-11-14(21-22-23)7-6-8-24/h9,11,15-18,24H,4-8,10H2,1-3H3,(H,20,25)(H,26,27)/t16-,17+,18+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of influenza A nuraminidase N1				J Med Chem 53: 7377-91 (2010) Article DOI: 10.1021/jm100822f BindingDB Entry DOI: 10.7270/Q2S75K5B
					More data for this Ligand-Target Pair
Maltase-glucoamylase (Homo sapiens (Human))	BDBM50327504 (1,4-Dideoxy-1,4-[[2S,3S,4R,5S]-2,4,5,6-tetrahydrox...) Show SMILES CO[C@H]([C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO)[C@H](O)[C@@H](O)CO |r| Show InChI InChI=1S/C12H25O8S/c1-20-12(11(19)6(15)2-13)8(17)5-21-4-7(16)10(18)9(21)3-14/h6-19H,2-5H2,1H3/q+1/t6-,7+,8+,9+,10-,11+,12+,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of human N-terminal maltase-glucoamylase				Bioorg Med Chem Lett 21: 6491-4 (2011) Article DOI: 10.1016/j.bmcl.2011.08.069 BindingDB Entry DOI: 10.7270/Q2Q81DHZ
					More data for this Ligand-Target Pair
Maltase-glucoamylase (Homo sapiens (Human))	BDBM50327504 (1,4-Dideoxy-1,4-[[2S,3S,4R,5S]-2,4,5,6-tetrahydrox...) Show SMILES CO[C@H]([C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO)[C@H](O)[C@@H](O)CO |r| Show InChI InChI=1S/C12H25O8S/c1-20-12(11(19)6(15)2-13)8(17)5-21-4-7(16)10(18)9(21)3-14/h6-19H,2-5H2,1H3/q+1/t6-,7+,8+,9+,10-,11+,12+,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal domain of maltase-glucoamylase after 60 mins by glucose oxidase assay				Bioorg Med Chem Lett 20: 5686-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.020 BindingDB Entry DOI: 10.7270/Q2WQ0411
					More data for this Ligand-Target Pair
Maltase-glucoamylase (Homo sapiens (Human))	BDBM50327504 (1,4-Dideoxy-1,4-[[2S,3S,4R,5S]-2,4,5,6-tetrahydrox...) Show SMILES CO[C@H]([C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO)[C@H](O)[C@@H](O)CO |r| Show InChI InChI=1S/C12H25O8S/c1-20-12(11(19)6(15)2-13)8(17)5-21-4-7(16)10(18)9(21)3-14/h6-19H,2-5H2,1H3/q+1/t6-,7+,8+,9+,10-,11+,12+,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal maltase-glucoamylase by Lineweaver-Burk plot analysis				Bioorg Med Chem Lett 21: 6491-4 (2011) Article DOI: 10.1016/j.bmcl.2011.08.069 BindingDB Entry DOI: 10.7270/Q2Q81DHZ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50031612 (CHEMBL3354688) Show SMILES CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 |r,c:22| Show InChI InChI=1S/C24H24N4O3/c1-23(2,3)12-29-17-5-7-21-19(9-17)24(13-30-22(25)28-24)18-8-15(4-6-20(18)31-21)16-10-26-14-27-11-16/h4-11,14H,12-13H2,1-3H3,(H2,25,28)/t24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2020.113085 BindingDB Entry DOI: 10.7270/Q2BC43MB
					More data for this Ligand-Target Pair
Maltase-glucoamylase (Homo sapiens (Human))	BDBM50242271 ((2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)...) Show SMILES OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r| Show InChI InChI=1S/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7-,8-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal subunit of maltase-glucoamylase after 60 mins by glucose oxidase assay				Bioorg Med Chem 18: 7794-8 (2010) Article DOI: 10.1016/j.bmc.2010.09.059 BindingDB Entry DOI: 10.7270/Q2TT4RZH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Maltase-glucoamylase (Homo sapiens (Human))	BDBM50330955 ((1S,2S)-3-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymeth...) Show SMILES OC[C@H](OS([O-])(=O)=O)[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r| Show InChI InChI=1S/C9H18O9S2/c10-1-7(18-20(15,16)17)5(12)3-19-4-6(13)9(14)8(19)2-11/h5-14H,1-4H2/t5-,6-,7+,8-,9+,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal subunit of maltase-glucoamylase after 60 mins by glucose oxidase assay				Bioorg Med Chem 18: 7794-8 (2010) Article DOI: 10.1016/j.bmc.2010.09.059 BindingDB Entry DOI: 10.7270/Q2TT4RZH
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50343686 ((3S,4R,5R)-4-acetamido-5-(pentan-3-yloxy)-3-(4-phe...) Show SMILES CCC(CC)O[C@@H]1CC(=C[C@@H]([C@H]1NC(C)=O)n1cc(CCc2ccccc2)nn1)C(O)=O |r,c:8| Show InChI InChI=1S/C24H32N4O4/c1-4-20(5-2)32-22-14-18(24(30)31)13-21(23(22)25-16(3)29)28-15-19(26-27-28)12-11-17-9-7-6-8-10-17/h6-10,13,15,20-23H,4-5,11-12,14H2,1-3H3,(H,25,29)(H,30,31)/t21-,22+,23+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of influenza A nuraminidase N1				J Med Chem 53: 7377-91 (2010) Article DOI: 10.1021/jm100822f BindingDB Entry DOI: 10.7270/Q2S75K5B
					More data for this Ligand-Target Pair
Maltase-glucoamylase (Homo sapiens (Human))	BDBM50330957 (7'-[(1,5-Dideoxy-1,5-imino-D-glucitol)-5-N-ammoniu...) Show SMILES OC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r| Show InChI InChI=1S/C13H27NO10/c15-3-5-9(20)10(21)6(17)1-14(5)2-7(18)11(22)13(24)12(23)8(19)4-16/h5-13,15-24H,1-4H2/t5-,6+,7-,8+,9-,10-,11-,12-,13+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal subunit of maltase-glucoamylase after 60 mins by glucose oxidase assay				Bioorg Med Chem 18: 7794-8 (2010) Article DOI: 10.1016/j.bmc.2010.09.059 BindingDB Entry DOI: 10.7270/Q2TT4RZH
					More data for this Ligand-Target Pair
Maltase-glucoamylase (Homo sapiens (Human))	BDBM50330956 (7'-[(1,5-Dideoxy-1,5-imino-D-glucitol)-5-N-ammoniu...) Show SMILES OC[C@H](O)[C@@H](O)[C@@H](O)[C@H](OS([O-])(=O)=O)[C@H](O)C[NH+]1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r| Show InChI InChI=1S/C13H27NO13S/c15-3-5-9(20)10(21)6(17)1-14(5)2-7(18)13(27-28(24,25)26)12(23)11(22)8(19)4-16/h5-13,15-23H,1-4H2,(H,24,25,26)/t5-,6+,7-,8+,9-,10-,11-,12-,13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal subunit of maltase-glucoamylase after 60 mins by glucose oxidase assay				Bioorg Med Chem 18: 7794-8 (2010) Article DOI: 10.1016/j.bmc.2010.09.059 BindingDB Entry DOI: 10.7270/Q2TT4RZH
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50343689 ((3S,4R,5R)-4-acetamido-3-(4-((8R,9S,13S,14S,17S)-3...) Show SMILES CCC(CC)O[C@@H]1CC(=C[C@@H]([C@H]1NC(C)=O)n1cc(nn1)[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C)C(O)=O |r,c:8| Show InChI InChI=1S/C34H46N4O6/c1-5-23(6-2)44-29-17-21(32(41)42)16-28(31(29)35-19(3)39)38-18-30(36-37-38)34(43)14-12-27-26-9-7-20-15-22(40)8-10-24(20)25(26)11-13-33(27,34)4/h8,10,15-16,18,23,25-29,31,40,43H,5-7,9,11-14,17H2,1-4H3,(H,35,39)(H,41,42)/t25-,26-,27+,28+,29-,31-,33+,34-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of influenza A nuraminidase N1				J Med Chem 53: 7377-91 (2010) Article DOI: 10.1021/jm100822f BindingDB Entry DOI: 10.7270/Q2S75K5B
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM4706 ((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...) Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |r,c:7| Show InChI InChI=1S/C11H17NO8/c1-4(14)12-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-13/h2,5-6,8-10,13,15-17H,3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,8+,9+,10+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of influenza A nuraminidase N1				J Med Chem 53: 7377-91 (2010) Article DOI: 10.1021/jm100822f BindingDB Entry DOI: 10.7270/Q2S75K5B
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50343690 ((4R,5R)-4-acetamido-3-(4-(2-hydroxypropan-2-yl)-1H...) Show SMILES CCC(CC)O[C@@H]1CC(C=C([C@H]1NC(C)=O)n1cc(nn1)C(C)(C)O)C(O)=O |r,c:9| Show InChI InChI=1S/C19H30N4O5/c1-6-13(7-2)28-15-9-12(18(25)26)8-14(17(15)20-11(3)24)23-10-16(21-22-23)19(4,5)27/h8,10,12-13,15,17,27H,6-7,9H2,1-5H3,(H,20,24)(H,25,26)/t12?,15-,17-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of influenza A nuraminidase N1				J Med Chem 53: 7377-91 (2010) Article DOI: 10.1021/jm100822f BindingDB Entry DOI: 10.7270/Q2S75K5B
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50343680 ((4R,5R)-4-acetamido-5-(pentan-3-yloxy)-3-(4-phenet...) Show SMILES CCC(CC)O[C@@H]1CC(C=C([C@H]1NC(C)=O)n1cc(CCc2ccccc2)nn1)C(O)=O |r,c:9| Show InChI InChI=1S/C24H32N4O4/c1-4-20(5-2)32-22-14-18(24(30)31)13-21(23(22)25-16(3)29)28-15-19(26-27-28)12-11-17-9-7-6-8-10-17/h6-10,13,15,18,20,22-23H,4-5,11-12,14H2,1-3H3,(H,25,29)(H,30,31)/t18?,22-,23-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of influenza A nuraminidase N1				J Med Chem 53: 7377-91 (2010) Article DOI: 10.1021/jm100822f BindingDB Entry DOI: 10.7270/Q2S75K5B
					More data for this Ligand-Target Pair
Maltase-glucoamylase (Homo sapiens (Human))	BDBM50330958 ((2R,3R,4R,5R,6S)-1-((2R,3R,4R)-3,4-dihydroxy-2-(hy...) Show SMILES OC[C@H](O)[C@@H](O)[C@@H](O)[C@H](OS([O-])(=O)=O)[C@H](O)C[NH+]1C[C@@H](O)[C@H](O)[C@H]1CO |r| Show InChI InChI=1S/C12H25NO12S/c14-3-5-9(19)6(16)1-13(5)2-7(17)12(25-26(22,23)24)11(21)10(20)8(18)4-15/h5-12,14-21H,1-4H2,(H,22,23,24)/t5-,6-,7-,8+,9-,10-,11-,12-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	9.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal subunit of maltase-glucoamylase after 60 mins by glucose oxidase assay				Bioorg Med Chem 18: 7794-8 (2010) Article DOI: 10.1016/j.bmc.2010.09.059 BindingDB Entry DOI: 10.7270/Q2TT4RZH
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM8611 (4-{5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl}benzonit...) Show SMILES N#Cc1ccc(cc1)C1CCCc2cncn12 Show InChI InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University& Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate				J Med Chem 56: 6101-7 (2013) Article DOI: 10.1021/jm400484p BindingDB Entry DOI: 10.7270/Q2CJ8FX2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM50601401 (CHEMBL5201184) Show SMILES [H][C@]12CC[C@@H](C[C@]1([H])C1(CSC(N)=N1)c1cc(ccc1O2)-c1cncc(F)c1)NC(=O)C(C)(C)C |r,c:13| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2020.113085 BindingDB Entry DOI: 10.7270/Q2BC43MB
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50451624 (CHEMBL331897) Show SMILES CC[N+]1(C\C2=C\CCCCCC2)CCC(CC1)NC(=O)C1c2cc(Cl)ccc2Oc2ccc(Cl)cc12 |t:4| Show InChI InChI=1S/C30H36Cl2N2O2/c1-2-34(20-21-8-6-4-3-5-7-9-21)16-14-24(15-17-34)33-30(35)29-25-18-22(31)10-12-27(25)36-28-13-11-23(32)19-26(28)29/h8,10-13,18-19,24,29H,2-7,9,14-17,20H2,1H3/p+1/b21-8+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2020.113085 BindingDB Entry DOI: 10.7270/Q2BC43MB
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50031612 (CHEMBL3354688) Show SMILES CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 |r,c:22| Show InChI InChI=1S/C24H24N4O3/c1-23(2,3)12-29-17-5-7-21-19(9-17)24(13-30-22(25)28-24)18-8-15(4-6-20(18)31-21)16-10-26-14-27-11-16/h4-11,14H,12-13H2,1-3H3,(H2,25,28)/t24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2020.113085 BindingDB Entry DOI: 10.7270/Q2BC43MB
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50098641 (1-Cyclooct-1-enylmethyl-1-ethyl-4-[(9H-xanthene-9-...) Show SMILES CC[N+]1(C\C2=C\CCCCCC2)CCC(CC1)NC(=O)C1c2ccccc2Oc2ccccc12 |t:4,(7.65,-27.47,;6.33,-28.27,;6.35,-29.81,;7.68,-30.58,;9.25,-29.88,;10.66,-30.48,;12.1,-29.88,;12.68,-28.47,;12.1,-27.02,;10.66,-26.45,;9.25,-27.05,;8.66,-28.47,;5,-29.05,;3.67,-29.81,;3.57,-31.55,;5.04,-32.12,;6.38,-31.32,;2.22,-32.32,;1.03,-31.32,;1.01,-29.81,;-.31,-32.12,;-.31,-33.66,;1.01,-34.44,;1.01,-35.97,;-.34,-36.71,;-1.66,-35.94,;-1.66,-34.43,;-3,-33.66,;-2.97,-32.12,;-4.29,-31.36,;-4.32,-29.81,;-2.97,-29.04,;-1.63,-29.81,;-1.63,-31.32,)| Show InChI InChI=1S/C30H38N2O2/c1-2-32(22-23-12-6-4-3-5-7-13-23)20-18-24(19-21-32)31-30(33)29-25-14-8-10-16-27(25)34-28-17-11-9-15-26(28)29/h8-12,14-17,24,29H,2-7,13,18-22H2,1H3/p+1/b23-12+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2020.113085 BindingDB Entry DOI: 10.7270/Q2BC43MB
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM7840 (RIVAROXABAN | US8822458, 44 | US8822458, 97) Show SMILES Clc1ccc(s1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O |r| Show InChI InChI=1S/C19H18ClN3O5S/c20-16-6-5-15(29-16)18(25)21-9-14-10-23(19(26)28-14)13-3-1-12(2-4-13)22-7-8-27-11-17(22)24/h1-6,14H,7-11H2,(H,21,25)/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	4.59	n/a	n/a	n/a	n/a	n/a	n/a
Universidade do Porto (CEQUIMED-UP) Curated by ChEMBL					Assay Description Inhibition of human factor 10a assessed as CBS 31.39 substrate hydrolysis by spectrophotometric analysis				J Med Chem 54: 5373-84 (2011) Article DOI: 10.1021/jm2006589 BindingDB Entry DOI: 10.7270/Q27P90HT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM8611 (4-{5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl}benzonit...) Show SMILES N#Cc1ccc(cc1)C1CCCc2cncn12 Show InChI InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University& Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) Curated by ChEMBL					Assay Description Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate				J Med Chem 56: 6101-7 (2013) Article DOI: 10.1021/jm400484p BindingDB Entry DOI: 10.7270/Q2CJ8FX2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50554438 (CHEMBL4796244) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]4CCCN4C(=O)[C@@H](NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc4ccccc4)NC1=O)C(C)C)C(=O)N[C@@H](C)C(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC3=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N2)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)C(C)C |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of full length recombinant human POP expressed in Escherichia coli BL21 cells using Z-Gly-Pro-AMC as substrate measured for 5 mins				Citation and Details Article DOI: 10.1021/acs.jnatprod.0c00648 BindingDB Entry DOI: 10.7270/Q2JS9V3M
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50438994 (CHEMBL2420683) Show SMILES COc1ccc2ccc(-c3cncc(O)c3)c(Cl)c2c1 Show InChI InChI=1S/C16H12ClNO2/c1-20-13-4-2-10-3-5-14(16(17)15(10)7-13)11-6-12(19)9-18-8-11/h2-9,19H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University& Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) Curated by ChEMBL					Assay Description Inhibition of human CYP17 expressed in Escherichia coli using 1,2[3H]-progesterone as substrate in presence of NADPH				J Med Chem 56: 6101-7 (2013) Article DOI: 10.1021/jm400484p BindingDB Entry DOI: 10.7270/Q2CJ8FX2
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50438994 (CHEMBL2420683) Show SMILES COc1ccc2ccc(-c3cncc(O)c3)c(Cl)c2c1 Show InChI InChI=1S/C16H12ClNO2/c1-20-13-4-2-10-3-5-14(16(17)15(10)7-13)11-6-12(19)9-18-8-11/h2-9,19H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University& Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate				J Med Chem 56: 6101-7 (2013) Article DOI: 10.1021/jm400484p BindingDB Entry DOI: 10.7270/Q2CJ8FX2
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50098634 (1-Cyclooctylmethyl-1-methyl-4-[(9H-xanthene-9-carb...) Show SMILES C[N+]1(CC2CCCCCCC2)CCC(CC1)NC(=O)C1c2ccccc2Oc2ccccc12 |(5.5,2.52,;5.66,.6,;7.01,-.17,;8.57,.51,;7.97,1.93,;8.57,3.36,;9.99,3.95,;11.4,3.36,;12,1.95,;11.4,.51,;9.99,-.08,;4.31,1.35,;2.99,.6,;2.99,-.94,;4.34,-1.71,;5.69,-.94,;1.68,-1.73,;.36,-.96,;.33,.58,;-.98,-1.73,;-.98,-3.27,;.33,-4.05,;.33,-5.58,;-1.02,-6.35,;-2.33,-5.56,;-2.33,-4.04,;-3.65,-3.27,;-3.65,-1.73,;-4.96,-.97,;-4.99,.58,;-3.65,1.35,;-2.3,.58,;-2.3,-.96,)| Show InChI InChI=1S/C29H38N2O2/c1-31(21-22-11-5-3-2-4-6-12-22)19-17-23(18-20-31)30-29(32)28-24-13-7-9-15-26(24)33-27-16-10-8-14-25(27)28/h7-10,13-16,22-23,28H,2-6,11-12,17-21H2,1H3/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2020.113085 BindingDB Entry DOI: 10.7270/Q2BC43MB
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50438995 (CHEMBL2420682) Show SMILES COc1cncc(c1)-c1ccc2ccc(O)cc2c1Cl Show InChI InChI=1S/C16H12ClNO2/c1-20-13-6-11(8-18-9-13)14-5-3-10-2-4-12(19)7-15(10)16(14)17/h2-9,19H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University& Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate				J Med Chem 56: 6101-7 (2013) Article DOI: 10.1021/jm400484p BindingDB Entry DOI: 10.7270/Q2CJ8FX2
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50438993 (CHEMBL2420684) Show SMILES Oc1ccc2ccc(-c3cncc(O)c3)c(Cl)c2c1 Show InChI InChI=1S/C15H10ClNO2/c16-15-13(10-5-12(19)8-17-7-10)4-2-9-1-3-11(18)6-14(9)15/h1-8,18-19H	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University& Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) Curated by ChEMBL					Assay Description Inhibition of human CYP17 expressed in Escherichia coli using 1,2[3H]-progesterone as substrate in presence of NADPH				J Med Chem 56: 6101-7 (2013) Article DOI: 10.1021/jm400484p BindingDB Entry DOI: 10.7270/Q2CJ8FX2
					More data for this Ligand-Target Pair

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