Compile Data Set for Download or QSAR

Found 30 hits of ph data with Target = 'Beta-mannosidase'   

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
Beta-mannosidase (Homo sapiens (Human))	BDBM50186735 (CHEMBL208021 | D-1,4-dideoxy-4,4-difluoromannonoji...) Show SMILES OC[C@H]1NC[C@@H](O)[C@@H](O)C1(F)F Show InChI InChI=1S/C6H11F2NO3/c7-6(8)4(2-10)9-1-3(11)5(6)12/h3-5,9-12H,1-2H2/t3-,4-,5-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	4.0	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of snail beta mannosidase at pH 4				J Med Chem 49: 2989-97 (2006) Article DOI: 10.1021/jm060066q BindingDB Entry DOI: 10.7270/Q29P318F
					More data for this Ligand-Target Pair
Beta-mannosidase (Homo sapiens (Human))	BDBM50186733 (CHEMBL208152 | L-1,4,6-trideoxy-4,4-difluoronojiri...) Show SMILES C[C@@H]1NC[C@@H](O)[C@H](O)C1(F)F Show InChI InChI=1S/C6H11F2NO2/c1-3-6(7,8)5(11)4(10)2-9-3/h3-5,9-11H,2H2,1H3/t3-,4+,5-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	4.0	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of snail beta mannosidase at pH 4				J Med Chem 49: 2989-97 (2006) Article DOI: 10.1021/jm060066q BindingDB Entry DOI: 10.7270/Q29P318F
					More data for this Ligand-Target Pair
Beta-mannosidase (Homo sapiens (Human))	BDBM50186736 (CHEMBL380311 | L-1,4-dideoxy-4,4-difluorogulonojir...) Show SMILES OC[C@@H]1NC[C@@H](O)[C@@H](O)C1(F)F Show InChI InChI=1S/C6H11F2NO3/c7-6(8)4(2-10)9-1-3(11)5(6)12/h3-5,9-12H,1-2H2/t3-,4+,5-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	4.0	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of snail beta mannosidase at pH 4				J Med Chem 49: 2989-97 (2006) Article DOI: 10.1021/jm060066q BindingDB Entry DOI: 10.7270/Q29P318F
					More data for this Ligand-Target Pair
Beta-mannosidase (Homo sapiens (Human))	BDBM50186732 (CHEMBL206628 | D-1,4,6-trideoxy-4,4-difluoronojiri...) Show SMILES C[C@H]1NC[C@H](O)[C@@H](O)C1(F)F Show InChI InChI=1S/C6H11F2NO2/c1-3-6(7,8)5(11)4(10)2-9-3/h3-5,9-11H,2H2,1H3/t3-,4+,5-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	4.0	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of snail beta mannosidase at pH 4				J Med Chem 49: 2989-97 (2006) Article DOI: 10.1021/jm060066q BindingDB Entry DOI: 10.7270/Q29P318F
					More data for this Ligand-Target Pair
Beta-mannosidase (Homo sapiens (Human))	BDBM50186734 (CHEMBL207910 | D-1,4-dideoxy-4,4-difluoronojirimyc...) Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)C1(F)F Show InChI InChI=1S/C6H11F2NO3/c7-6(8)4(2-10)9-1-3(11)5(6)12/h3-5,9-12H,1-2H2/t3-,4+,5+/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	4.0	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of snail beta mannosidase at pH 4				J Med Chem 49: 2989-97 (2006) Article DOI: 10.1021/jm060066q BindingDB Entry DOI: 10.7270/Q29P318F
					More data for this Ligand-Target Pair
Beta-mannosidase (Bacteroides thetaiotaomicron)	BDBM36374 ((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nc(CCc3ccccc3)cn12 Show InChI InChI=1S/C16H20N2O4/c19-9-12-13(20)14(21)15(22)16-17-11(8-18(12)16)7-6-10-4-2-1-3-5-10/h1-5,8,12-15,19-22H,6-7,9H2/t12-,13-,14+,15+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	57	-43.0	n/a	n/a	n/a	n/a	n/a	5.6	37
The Medical School, Newcastle University					Assay Description Putative mannosidase assay using wild-type protein Btman2A. Enzyme inhibition assay.				Nat Chem Biol 4: 306-12 (2008) Article DOI: 10.1038/nchembio.81 BindingDB Entry DOI: 10.7270/Q2X34VS6
					More data for this Ligand-Target Pair
Beta-mannosidase (Bacteroides thetaiotaomicron)	BDBM36375 ((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nc(CNc3ccccc3)cn12 Show InChI InChI=1S/C15H19N3O4/c19-8-11-12(20)13(21)14(22)15-17-10(7-18(11)15)6-16-9-4-2-1-3-5-9/h1-5,7,11-14,16,19-22H,6,8H2/t11-,12-,13+,14+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	72	-42.4	n/a	n/a	n/a	n/a	n/a	5.6	37
The Medical School, Newcastle University					Assay Description Putative mannosidase assay using wild-type protein Btman2A. Enzyme inhibition assay.				Nat Chem Biol 4: 306-12 (2008) Article DOI: 10.1038/nchembio.81 BindingDB Entry DOI: 10.7270/Q2X34VS6
					More data for this Ligand-Target Pair
Beta-mannosidase (Bacteroides thetaiotaomicron)	BDBM36376 ((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nc(COc3ccccc3)cn12 Show InChI InChI=1S/C15H18N2O5/c18-7-11-12(19)13(20)14(21)15-16-9(6-17(11)15)8-22-10-4-2-1-3-5-10/h1-6,11-14,18-21H,7-8H2/t11-,12-,13+,14+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	401	-38.0	n/a	n/a	n/a	n/a	n/a	5.6	37
The Medical School, Newcastle University					Assay Description Putative mannosidase assay using wild-type protein Btman2A. Enzyme inhibition assay.				Nat Chem Biol 4: 306-12 (2008) Article DOI: 10.1038/nchembio.81 BindingDB Entry DOI: 10.7270/Q2X34VS6
					More data for this Ligand-Target Pair
Beta-mannosidase (Bacteroides thetaiotaomicron)	BDBM36384 ((2R/S,3S,4R,5R)-5-(Hydroxymethyl)piperidine-2,3,4-...) Show SMILES OC[C@H]1CNC(O)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C6H13NO4/c8-2-3-1-7-6(11)5(10)4(3)9/h3-11H,1-2H2/t3-,4-,5+,6?/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	975	-35.7	n/a	n/a	n/a	n/a	n/a	5.6	37
The Medical School, Newcastle University					Assay Description Putative mannosidase assay using wild-type protein Btman2A. Enzyme inhibition assay.				Nat Chem Biol 4: 306-12 (2008) Article DOI: 10.1038/nchembio.81 BindingDB Entry DOI: 10.7270/Q2X34VS6
					More data for this Ligand-Target Pair				3D Structure (docked)
Beta-mannosidase (Bacteroides thetaiotaomicron)	BDBM36378 (1-[(2-Aminoethyl)amino]-1,5-anhydro-1-deoxy-1-imin...) Show SMILES [NH3+]CCNC1=N[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |t:4| Show InChI InChI=1S/C8H17N3O4/c9-1-2-10-8-7(15)6(14)5(13)4(3-12)11-8/h4-7,12-15H,1-3,9H2,(H,10,11)/p+1/t4-,5-,6+,7+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	-35.6	n/a	n/a	n/a	n/a	n/a	5.6	37
The Medical School, Newcastle University					Assay Description Putative mannosidase assay using wild-type protein Btman2A. Enzyme inhibition assay.				Nat Chem Biol 4: 306-12 (2008) Article DOI: 10.1038/nchembio.81 BindingDB Entry DOI: 10.7270/Q2X34VS6
					More data for this Ligand-Target Pair
Beta-mannosidase (Bacteroides thetaiotaomicron)	BDBM36373 ((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nccn12 Show InChI InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/t4-,5-,6+,7+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.40E+3	-34.8	n/a	n/a	n/a	n/a	n/a	5.6	37
The Medical School, Newcastle University					Assay Description Putative mannosidase assay using wild-type protein Btman2A. Enzyme inhibition assay.				Nat Chem Biol 4: 306-12 (2008) Article DOI: 10.1038/nchembio.81 BindingDB Entry DOI: 10.7270/Q2X34VS6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-mannosidase (Bacteroides thetaiotaomicron)	BDBM36381 (1-[(4-Aminobutyl)amino]-1,5-anhydro-1-deoxy-1-imin...) Show SMILES CCCNC1=N[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |t:4| Show InChI InChI=1S/C9H18N2O4/c1-2-3-10-9-8(15)7(14)6(13)5(4-12)11-9/h5-8,12-15H,2-4H2,1H3,(H,10,11)/t5-,6-,7+,8+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.90E+3	-34.0	n/a	n/a	n/a	n/a	n/a	5.6	37
The Medical School, Newcastle University					Assay Description Putative mannosidase assay using wild-type protein Btman2A. Enzyme inhibition assay.				Nat Chem Biol 4: 306-12 (2008) Article DOI: 10.1038/nchembio.81 BindingDB Entry DOI: 10.7270/Q2X34VS6
					More data for this Ligand-Target Pair
Beta-mannosidase (Bacteroides thetaiotaomicron)	BDBM36393 (1-[(3-Aminopropyl)amino]-1,5-anhydro-1-deoxy-1-imi...) Show SMILES [NH3+]CCCNC1=N[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |t:5| Show InChI InChI=1S/C9H19N3O4/c10-2-1-3-11-9-8(16)7(15)6(14)5(4-13)12-9/h5-8,13-16H,1-4,10H2,(H,11,12)/p+1/t5-,6-,7+,8+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.10E+3	-33.7	n/a	n/a	n/a	n/a	n/a	5.6	37
The Medical School, Newcastle University					Assay Description Putative mannosidase assay using wild-type protein Btman2A. Enzyme inhibition assay.				Nat Chem Biol 4: 306-12 (2008) Article DOI: 10.1038/nchembio.81 BindingDB Entry DOI: 10.7270/Q2X34VS6
					More data for this Ligand-Target Pair
Beta-mannosidase (Bacteroides thetaiotaomicron)	BDBM36379 (1-[(4-Aminobutyl)amino]-1,5-anhydro-1-deoxy-1-imin...) Show SMILES [NH3+]CCCCNC1=N[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |t:6| Show InChI InChI=1S/C10H21N3O4/c11-3-1-2-4-12-10-9(17)8(16)7(15)6(5-14)13-10/h6-9,14-17H,1-5,11H2,(H,12,13)/p+1/t6-,7-,8+,9+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.10E+3	-33.7	n/a	n/a	n/a	n/a	n/a	5.6	37
The Medical School, Newcastle University					Assay Description Putative mannosidase assay using wild-type protein Btman2A. Enzyme inhibition assay.				Nat Chem Biol 4: 306-12 (2008) Article DOI: 10.1038/nchembio.81 BindingDB Entry DOI: 10.7270/Q2X34VS6
					More data for this Ligand-Target Pair
Beta-mannosidase (Bacteroides thetaiotaomicron)	BDBM36380 (1,5-Anhydro-1-deoxy-1-[(3-hydroxypropyl)amino]-1-i...) Show SMILES OCCCNC1=N[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |t:5| Show InChI InChI=1S/C9H18N2O5/c12-3-1-2-10-9-8(16)7(15)6(14)5(4-13)11-9/h5-8,12-16H,1-4H2,(H,10,11)/t5-,6-,7+,8+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.20E+3	-33.6	n/a	n/a	n/a	n/a	n/a	5.6	37
The Medical School, Newcastle University					Assay Description Putative mannosidase assay using wild-type protein Btman2A. Enzyme inhibition assay.				Nat Chem Biol 4: 306-12 (2008) Article DOI: 10.1038/nchembio.81 BindingDB Entry DOI: 10.7270/Q2X34VS6
					More data for this Ligand-Target Pair
Beta-mannosidase (Bacteroides thetaiotaomicron)	BDBM36377 ((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nc(cn12)C#Cc1ccccc1 Show InChI InChI=1S/C16H16N2O4/c19-9-12-13(20)14(21)15(22)16-17-11(8-18(12)16)7-6-10-4-2-1-3-5-10/h1-5,8,12-15,19-22H,9H2/t12-,13-,14+,15+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.40E+3	-33.4	n/a	n/a	n/a	n/a	n/a	5.6	37
The Medical School, Newcastle University					Assay Description Putative mannosidase assay using wild-type protein Btman2A. Enzyme inhibition assay.				Nat Chem Biol 4: 306-12 (2008) Article DOI: 10.1038/nchembio.81 BindingDB Entry DOI: 10.7270/Q2X34VS6
					More data for this Ligand-Target Pair
Beta-mannosidase (Bacteroides thetaiotaomicron)	BDBM36385 ((3S,4R,5R)-3,4-Dihydroxy-5-(hydroxymethyl)piperidi...) Show SMILES OC[C@H]1CNC(=O)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C6H11NO4/c8-2-3-1-7-6(11)5(10)4(3)9/h3-5,8-10H,1-2H2,(H,7,11)/t3-,4-,5+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	1.10E+4	-29.4	n/a	n/a	n/a	n/a	n/a	5.6	37
The Medical School, Newcastle University					Assay Description Putative mannosidase assay using wild-type protein Btman2A. Enzyme inhibition assay.				Nat Chem Biol 4: 306-12 (2008) Article DOI: 10.1038/nchembio.81 BindingDB Entry DOI: 10.7270/Q2X34VS6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-mannosidase (Bacteroides thetaiotaomicron)	BDBM36392 ((1R,4R,5R,7R,8R)-2-Benzyl-5-(hydroxymethyl)-2-azab...) Show SMILES OC[C@H]1C[C@@H]2[C@@H](O)[C@@H](O)[C@@]1(O)CN2Cc1ccccc1 |THB:13:12:7.5:2.3| Show InChI InChI=1S/C15H21NO4/c17-8-11-6-12-13(18)14(19)15(11,20)9-16(12)7-10-4-2-1-3-5-10/h1-5,11-14,17-20H,6-9H2/t11-,12-,13-,14-,15-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	1.30E+4	-29.0	n/a	n/a	n/a	n/a	n/a	5.6	37
The Medical School, Newcastle University					Assay Description Putative mannosidase assay using wild-type protein Btman2A. Enzyme inhibition assay.				Nat Chem Biol 4: 306-12 (2008) Article DOI: 10.1038/nchembio.81 BindingDB Entry DOI: 10.7270/Q2X34VS6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-mannosidase (Bacteroides thetaiotaomicron)	BDBM36382 (CID24752823 | N,N-(4-aminobutyl)-D-glucoamidine, 3) Show SMILES [NH3+]CCCCNC1=N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |t:6| Show InChI InChI=1S/C10H21N3O4/c11-3-1-2-4-12-10-9(17)8(16)7(15)6(5-14)13-10/h6-9,14-17H,1-5,11H2,(H,12,13)/p+1/t6-,7-,8+,9-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.20E+4	-27.7	n/a	n/a	n/a	n/a	n/a	5.6	37
The Medical School, Newcastle University					Assay Description Putative mannosidase assay using wild-type protein Btman2A. Enzyme inhibition assay.				Nat Chem Biol 4: 306-12 (2008) Article DOI: 10.1038/nchembio.81 BindingDB Entry DOI: 10.7270/Q2X34VS6
					More data for this Ligand-Target Pair
Beta-mannosidase (Bacteroides thetaiotaomicron)	BDBM36383 ((1R,4R,5R,7R,8R)-5-(Hydroxymethyl)-2-azabicyclo[2....) Show SMILES OC[C@H]1C[C@H]2NC[C@]1(O)[C@H](O)[C@@H]2O Show InChI InChI=1S/C8H15NO4/c10-2-4-1-5-6(11)7(12)8(4,13)3-9-5/h4-7,9-13H,1-3H2/t4-,5-,6-,7-,8-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.00E+5	-19.6	n/a	n/a	n/a	n/a	n/a	5.6	37
The Medical School, Newcastle University					Assay Description Putative mannosidase assay using wild-type protein Btman2A. Enzyme inhibition assay.				Nat Chem Biol 4: 306-12 (2008) Article DOI: 10.1038/nchembio.81 BindingDB Entry DOI: 10.7270/Q2X34VS6
					More data for this Ligand-Target Pair				3D Structure (docked)
Beta-mannosidase (Bacteroides thetaiotaomicron)	BDBM36386 ((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nnnn12 Show InChI InChI=1S/C6H10N4O4/c11-1-2-3(12)4(13)5(14)6-7-8-9-10(2)6/h2-5,11-14H,1H2/t2-,3-,4+,5+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+6	-17.8	n/a	n/a	n/a	n/a	n/a	5.6	37
The Medical School, Newcastle University					Assay Description Putative mannosidase assay using wild-type protein Btman2A. Enzyme inhibition assay.				Nat Chem Biol 4: 306-12 (2008) Article DOI: 10.1038/nchembio.81 BindingDB Entry DOI: 10.7270/Q2X34VS6
					More data for this Ligand-Target Pair
Beta-mannosidase (Bacteroides thetaiotaomicron)	BDBM36390 ((Z)-D-Gluconhydroximo-1,5-lactam, 15 | CID445248) Show SMILES OC[C@H]1N=C(NO)[C@H](O)[C@@H](O)[C@@H]1O |t:3| Show InChI InChI=1S/C6H12N2O5/c9-1-2-3(10)4(11)5(12)6(7-2)8-13/h2-5,9-13H,1H2,(H,7,8)/t2-,3-,4+,5-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid UniChem	Article PubMed	2.00E+6	-16.0	n/a	n/a	n/a	n/a	n/a	5.6	37
The Medical School, Newcastle University					Assay Description Putative mannosidase assay using wild-type protein Btman2A. Enzyme inhibition assay.				Nat Chem Biol 4: 306-12 (2008) Article DOI: 10.1038/nchembio.81 BindingDB Entry DOI: 10.7270/Q2X34VS6
					More data for this Ligand-Target Pair
Beta-mannosidase (Bacteroides thetaiotaomicron)	BDBM18355 ((2R,3R,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-...) Show SMILES CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO Show InChI InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9-,10-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	6.00E+6	-13.2	n/a	n/a	n/a	n/a	n/a	5.6	37
The Medical School, Newcastle University					Assay Description Putative mannosidase assay using wild-type protein Btman2A. Enzyme inhibition assay.				Nat Chem Biol 4: 306-12 (2008) Article DOI: 10.1038/nchembio.81 BindingDB Entry DOI: 10.7270/Q2X34VS6
					More data for this Ligand-Target Pair
Beta-mannosidase (Bacteroides thetaiotaomicron)	BDBM50182801 ((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...) Show SMILES OC[C@H]1CNC[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	9.00E+6	-12.1	n/a	n/a	n/a	n/a	n/a	5.6	37
The Medical School, Newcastle University					Assay Description Putative mannosidase assay using wild-type protein Btman2A. Enzyme inhibition assay.				Nat Chem Biol 4: 306-12 (2008) Article DOI: 10.1038/nchembio.81 BindingDB Entry DOI: 10.7270/Q2X34VS6
					More data for this Ligand-Target Pair				3D Structure (docked)
Beta-mannosidase (Bacteroides thetaiotaomicron)	BDBM36389 (8-Aza-bicyclo[3.2.1]octane-1,2,3,4-tetraol, 14 | C...) Show SMILES O[C@H]1[C@H]2CC[C@](O)(N2)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C7H13NO4/c9-4-3-1-2-7(12,8-3)6(11)5(4)10/h3-6,8-12H,1-2H2/t3-,4+,5-,6+,7-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.10E+7	-11.6	n/a	n/a	n/a	n/a	n/a	5.6	37
The Medical School, Newcastle University					Assay Description Putative mannosidase assay using wild-type protein Btman2A. Enzyme inhibition assay.				Nat Chem Biol 4: 306-12 (2008) Article DOI: 10.1038/nchembio.81 BindingDB Entry DOI: 10.7270/Q2X34VS6
					More data for this Ligand-Target Pair
Beta-mannosidase (Bacteroides thetaiotaomicron)	BDBM18351 ((2R,3R,4R,5S)-2-(Hydroxymethyl)piperidine-3,4,5-tr...) Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.40E+7	-11.0	n/a	n/a	n/a	n/a	n/a	5.6	37
The Medical School, Newcastle University					Assay Description Putative mannosidase assay using wild-type protein Btman2A. Enzyme inhibition assay.				Nat Chem Biol 4: 306-12 (2008) Article DOI: 10.1038/nchembio.81 BindingDB Entry DOI: 10.7270/Q2X34VS6
					More data for this Ligand-Target Pair
Beta-mannosidase (Bacteroides thetaiotaomicron)	BDBM36387 ((4R,5S,6R)-6-Hydroxymethyl-[1,2]oxazinane-4,5-diol...) Show SMILES OC[C@H]1ONC[C@@H](O)[C@@H]1O Show InChI InChI=1S/C5H11NO4/c7-2-4-5(9)3(8)1-6-10-4/h3-9H,1-2H2/t3-,4-,5+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	2.00E+7	-10.1	n/a	n/a	n/a	n/a	n/a	5.6	37
The Medical School, Newcastle University					Assay Description Putative mannosidase assay using wild-type protein Btman2A. Enzyme inhibition assay.				Nat Chem Biol 4: 306-12 (2008) Article DOI: 10.1038/nchembio.81 BindingDB Entry DOI: 10.7270/Q2X34VS6
					More data for this Ligand-Target Pair
Beta-mannosidase (Bacteroides thetaiotaomicron)	BDBM36388 (BDBM36404 | CID54445 | Octahydro-indolizine-1,6,7,...) Show SMILES O[C@H]1CCN2C[C@H](O)[C@@H](O)[C@H](O)[C@@H]12 Show InChI InChI=1S/C8H15NO4/c10-4-1-2-9-3-5(11)7(12)8(13)6(4)9/h4-8,10-13H,1-3H2/t4-,5-,6+,7+,8+/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.30E+7	-9.73	n/a	n/a	n/a	n/a	n/a	5.6	37
The Medical School, Newcastle University					Assay Description Putative mannosidase assay using wild-type protein Btman2A. Enzyme inhibition assay.				Nat Chem Biol 4: 306-12 (2008) Article DOI: 10.1038/nchembio.81 BindingDB Entry DOI: 10.7270/Q2X34VS6
					More data for this Ligand-Target Pair				3D Structure (docked)
Beta-mannosidase (Bacteroides thetaiotaomicron)	BDBM50065259 ((2R,3R,4R,5R)-2-(Hydroxymethyl)piperidine-3,4,5-tr...) Show SMILES OC[C@H]1NC[C@@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4-,5-,6-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	3.30E+7	-8.80	n/a	n/a	n/a	n/a	n/a	5.6	37
The Medical School, Newcastle University					Assay Description Putative mannosidase assay using wild-type protein Btman2A. Enzyme inhibition assay.				Nat Chem Biol 4: 306-12 (2008) Article DOI: 10.1038/nchembio.81 BindingDB Entry DOI: 10.7270/Q2X34VS6
					More data for this Ligand-Target Pair
Beta-mannosidase (Bacteroides thetaiotaomicron)	BDBM36391 (5-Hydroxymethyl-7-isopropoxy-6-oxa-bicyclo[3.2.2]n...) Show SMILES CCO[C@@H]1O[C@@]2(CO)CCC[C@]1(O)[C@@H](O)[C@@H]2O |THB:14:13:4.3:10.8.9,16:15:4.3:10.8.9| Show InChI InChI=1S/C11H20O6/c1-2-16-9-11(15)5-3-4-10(6-12,17-9)7(13)8(11)14/h7-9,12-15H,2-6H2,1H3/t7-,8-,9+,10+,11-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>4.00E+8	>-2.36	n/a	n/a	n/a	n/a	n/a	5.6	37
The Medical School, Newcastle University					Assay Description Putative mannosidase assay using wild-type protein Btman2A. Enzyme inhibition assay.				Nat Chem Biol 4: 306-12 (2008) Article DOI: 10.1038/nchembio.81 BindingDB Entry DOI: 10.7270/Q2X34VS6
					More data for this Ligand-Target Pair