Compile Data Set for Download or QSAR

Found 5 hits of Enz. Inhib. data with enzyme = 'Beta-mannosidase' and Substrate = 'BDBM36394'   

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
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	-10.3	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	-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)	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	-9.07	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	-8.30	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)	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	-7.97	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