Compile Data Set for Download or QSAR

Found 20 hits with Last Name = 'biswal' and Initial = 'bk'   

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
Epoxide hydrolase B (Mycobacterium tuberculosis)	BDBM25725 (1,3-diphenylurea | Urea-based compound, 7) Show SMILES O=C(Nc1ccccc1)Nc1ccccc1 Show InChI InChI=1S/C13H12N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	7.0	30
University of Alberta					Assay Description Enzyme activity was measured by monitoring the appearance of fluorescent product, 6-methoxy-naphthaldehyde (ex@330 nm and em@ 465 nm) on a SpectraMax...				J Mol Biol 381: 897-912 (2008) Article DOI: 10.1016/j.jmb.2008.06.030 BindingDB Entry DOI: 10.7270/Q2D50K94
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epoxide hydrolase B (Mycobacterium tuberculosis)	BDBM25733 (CHEMBL476614 | Urea-based compound, 14 | methyl 4-...) Show SMILES COC(=O)c1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1O |TLB:19:14:21:18.17.20,THB:13:14:17:21.20.12| Show InChI InChI=1S/C19H24N2O4/c1-25-17(23)15-3-2-14(7-16(15)22)20-18(24)21-19-8-11-4-12(9-19)6-13(5-11)10-19/h2-3,7,11-13,22H,4-6,8-10H2,1H3,(H2,20,21,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	7.0	30
University of Alberta					Assay Description Enzyme activity was measured by monitoring the appearance of fluorescent product, 6-methoxy-naphthaldehyde (ex@330 nm and em@ 465 nm) on a SpectraMax...				J Mol Biol 381: 897-912 (2008) Article DOI: 10.1016/j.jmb.2008.06.030 BindingDB Entry DOI: 10.7270/Q2D50K94
					More data for this Ligand-Target Pair
Epoxide hydrolase B (Mycobacterium tuberculosis)	BDBM25732 (3-adamantan-1-yl-1-cyclohexylurea | CHEMBL242255 |...) Show SMILES O=C(NC1CCCCC1)NC12CC3CC(CC(C3)C1)C2 |TLB:17:12:19:16.15.18,17:16:12.13.11:19,THB:15:14:11:16.17.18,15:16:11:14.13.19| Show InChI InChI=1S/C17H28N2O/c20-16(18-15-4-2-1-3-5-15)19-17-9-12-6-13(10-17)8-14(7-12)11-17/h12-15H,1-11H2,(H2,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	7.0	30
University of Alberta					Assay Description Enzyme activity was measured by monitoring the appearance of fluorescent product, 6-methoxy-naphthaldehyde (ex@330 nm and em@ 465 nm) on a SpectraMax...				J Mol Biol 381: 897-912 (2008) Article DOI: 10.1016/j.jmb.2008.06.030 BindingDB Entry DOI: 10.7270/Q2D50K94
					More data for this Ligand-Target Pair
Epoxide hydrolase B (Mycobacterium tuberculosis)	BDBM25728 (1,3-bis(4-chlorophenyl)urea | Urea-based compound,...) Show SMILES Clc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C13H10Cl2N2O/c14-9-1-5-11(6-2-9)16-13(18)17-12-7-3-10(15)4-8-12/h1-8H,(H2,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	7.0	30
University of Alberta					Assay Description Enzyme activity was measured by monitoring the appearance of fluorescent product, 6-methoxy-naphthaldehyde (ex@330 nm and em@ 465 nm) on a SpectraMax...				J Mol Biol 381: 897-912 (2008) Article DOI: 10.1016/j.jmb.2008.06.030 BindingDB Entry DOI: 10.7270/Q2D50K94
					More data for this Ligand-Target Pair
Epoxide hydrolase B (Mycobacterium tuberculosis)	BDBM25730 (3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)urea | US...) Show SMILES Clc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 Show InChI InChI=1S/C13H9Cl3N2O/c14-8-1-3-9(4-2-8)17-13(19)18-10-5-6-11(15)12(16)7-10/h1-7H,(H2,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	7.0	30
University of Alberta					Assay Description Enzyme activity was measured by monitoring the appearance of fluorescent product, 6-methoxy-naphthaldehyde (ex@330 nm and em@ 465 nm) on a SpectraMax...				J Mol Biol 381: 897-912 (2008) Article DOI: 10.1016/j.jmb.2008.06.030 BindingDB Entry DOI: 10.7270/Q2D50K94
					More data for this Ligand-Target Pair
Epoxide hydrolase B (Mycobacterium tuberculosis)	BDBM25731 (1,3-dicyclohexylurea | CHEMBL1458 | US8815951, 1,3...) Show SMILES O=C(NC1CCCCC1)NC1CCCCC1 Show InChI InChI=1S/C13H24N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	7.0	30
University of Alberta					Assay Description Enzyme activity was measured by monitoring the appearance of fluorescent product, 6-methoxy-naphthaldehyde (ex@330 nm and em@ 465 nm) on a SpectraMax...				J Mol Biol 381: 897-912 (2008) Article DOI: 10.1016/j.jmb.2008.06.030 BindingDB Entry DOI: 10.7270/Q2D50K94
					More data for this Ligand-Target Pair
Epoxide hydrolase B (Mycobacterium tuberculosis)	BDBM25727 (3-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)urea | U...) Show SMILES COc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 Show InChI InChI=1S/C14H12Cl2N2O2/c1-20-11-5-2-9(3-6-11)17-14(19)18-10-4-7-12(15)13(16)8-10/h2-8H,1H3,(H2,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	7.0	30
University of Alberta					Assay Description Enzyme activity was measured by monitoring the appearance of fluorescent product, 6-methoxy-naphthaldehyde (ex@330 nm and em@ 465 nm) on a SpectraMax...				J Mol Biol 381: 897-912 (2008) Article DOI: 10.1016/j.jmb.2008.06.030 BindingDB Entry DOI: 10.7270/Q2D50K94
					More data for this Ligand-Target Pair
Epoxide hydrolase B (Mycobacterium tuberculosis)	BDBM25729 (1,3-bis(3,4-dichlorophenyl)urea | CHEMBL10835 | US...) Show SMILES Clc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1Cl Show InChI InChI=1S/C13H8Cl4N2O/c14-9-3-1-7(5-11(9)16)18-13(20)19-8-2-4-10(15)12(17)6-8/h1-6H,(H2,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	7.0	30
University of Alberta					Assay Description Enzyme activity was measured by monitoring the appearance of fluorescent product, 6-methoxy-naphthaldehyde (ex@330 nm and em@ 465 nm) on a SpectraMax...				J Mol Biol 381: 897-912 (2008) Article DOI: 10.1016/j.jmb.2008.06.030 BindingDB Entry DOI: 10.7270/Q2D50K94
					More data for this Ligand-Target Pair
Epoxide hydrolase B (Mycobacterium tuberculosis)	BDBM25737 (12-[(adamantan-1-ylcarbamoyl)amino]dodecanoic acid...) Show SMILES OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:25:20:27:24.23.26,25:24:20.21.19:27,THB:23:22:19:24.25.26,23:24:19:22.21.27| Show InChI InChI=1S/C23H40N2O3/c26-21(27)10-8-6-4-2-1-3-5-7-9-11-24-22(28)25-23-15-18-12-19(16-23)14-20(13-18)17-23/h18-20H,1-17H2,(H,26,27)(H2,24,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.96E+3	n/a	n/a	n/a	n/a	7.0	30
University of Alberta					Assay Description Enzyme activity was measured by monitoring the appearance of fluorescent product, 6-methoxy-naphthaldehyde (ex@330 nm and em@ 465 nm) on a SpectraMax...				J Mol Biol 381: 897-912 (2008) Article DOI: 10.1016/j.jmb.2008.06.030 BindingDB Entry DOI: 10.7270/Q2D50K94
					More data for this Ligand-Target Pair
Epoxide hydrolase B (Mycobacterium tuberculosis)	BDBM25742 (1-[4-(4-fluorophenoxy)cyclohexyl]-3-[4-(trifluorom...) Show SMILES Fc1ccc(OC2CCC(CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |(13.37,-2.95,;12.06,-2.13,;10.72,-2.9,;9.39,-2.13,;9.39,-.59,;7.9,-.2,;7.9,1.34,;6.86,2.47,;5.01,1.58,;3.75,1.86,;4.78,.7,;6.61,1.63,;2.42,1.09,;1.08,1.86,;1.08,3.4,;-.25,1.08,;-1.58,1.85,;-2.92,1.08,;-4.25,1.85,;-4.25,3.4,;-5.58,4.17,;-6.92,3.39,;-8.25,4.16,;-8.25,2.62,;-6.92,1.85,;-2.92,4.17,;-1.58,3.4,;10.72,.18,;12.15,-.58,)| Show InChI InChI=1S/C20H20F4N2O3/c21-13-1-7-16(8-2-13)28-17-9-3-14(4-10-17)25-19(27)26-15-5-11-18(12-6-15)29-20(22,23)24/h1-2,5-8,11-12,14,17H,3-4,9-10H2,(H2,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.06E+3	n/a	n/a	n/a	n/a	7.0	30
University of Alberta					Assay Description Enzyme activity was measured by monitoring the appearance of fluorescent product, 6-methoxy-naphthaldehyde (ex@330 nm and em@ 465 nm) on a SpectraMax...				J Mol Biol 381: 897-912 (2008) Article DOI: 10.1016/j.jmb.2008.06.030 BindingDB Entry DOI: 10.7270/Q2D50K94
					More data for this Ligand-Target Pair
Epoxide hydrolase B (Mycobacterium tuberculosis)	BDBM25739 (4-({4-[(adamantan-1-ylcarbamoyl)amino]cyclohexyl}o...) Show SMILES OC(=O)c1ccc(OC2CCC(CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:25:20:27:24.23.26,25:24:20.21.19:27,THB:23:22:19:24.25.26,23:24:19:22.21.27,(14.72,-2.13,;14.72,-.59,;16.06,.18,;13.39,.18,;13.39,1.72,;12.06,2.49,;10.72,1.72,;9.24,2.11,;7.9,1.34,;6.86,2.47,;5.01,1.58,;3.75,1.86,;4.78,.7,;6.61,1.63,;2.42,1.09,;1.08,1.86,;1.08,3.4,;-.25,1.08,;-1.58,1.85,;-1.14,3.3,;-2.2,4.45,;-3.36,3.57,;-3.92,1.7,;-5.24,1.54,;-4.25,2.53,;-3.76,4.14,;-3.03,1.56,;-2.63,.75,;10.72,.18,;12.06,-.59,)| Show InChI InChI=1S/C24H32N2O4/c27-22(28)18-1-5-20(6-2-18)30-21-7-3-19(4-8-21)25-23(29)26-24-12-15-9-16(13-24)11-17(10-15)14-24/h1-2,5-6,15-17,19,21H,3-4,7-14H2,(H,27,28)(H2,25,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	7.0	30
University of Alberta					Assay Description Enzyme activity was measured by monitoring the appearance of fluorescent product, 6-methoxy-naphthaldehyde (ex@330 nm and em@ 465 nm) on a SpectraMax...				J Mol Biol 381: 897-912 (2008) Article DOI: 10.1016/j.jmb.2008.06.030 BindingDB Entry DOI: 10.7270/Q2D50K94
					More data for this Ligand-Target Pair
Epoxide hydrolase B (Mycobacterium tuberculosis)	BDBM25736 (8-[(adamantan-1-ylcarbamoyl)amino]octanoic acid | ...) Show SMILES OC(=O)CCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:21:16:23:20.19.22,21:20:16.17.15:23,THB:19:18:15:20.21.22,19:20:15:18.17.23| Show InChI InChI=1S/C19H32N2O3/c22-17(23)6-4-2-1-3-5-7-20-18(24)21-19-11-14-8-15(12-19)10-16(9-14)13-19/h14-16H,1-13H2,(H,22,23)(H2,20,21,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.53E+3	n/a	n/a	n/a	n/a	7.0	30
University of Alberta					Assay Description Enzyme activity was measured by monitoring the appearance of fluorescent product, 6-methoxy-naphthaldehyde (ex@330 nm and em@ 465 nm) on a SpectraMax...				J Mol Biol 381: 897-912 (2008) Article DOI: 10.1016/j.jmb.2008.06.030 BindingDB Entry DOI: 10.7270/Q2D50K94
					More data for this Ligand-Target Pair
Epoxide hydrolase B (Mycobacterium tuberculosis)	BDBM25738 (1-adamantan-1-yl-3-{5-[2-(2-ethoxyethoxy)ethoxy]pe...) Show SMILES CCOCCOCCOCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:25:20:27:24.23.26,25:24:20.21.19:27,THB:23:22:19:24.25.26,23:24:19:22.21.27| Show InChI InChI=1S/C22H40N2O4/c1-2-26-8-9-28-11-10-27-7-5-3-4-6-23-21(25)24-22-15-18-12-19(16-22)14-20(13-18)17-22/h18-20H,2-17H2,1H3,(H2,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.20E+3	n/a	n/a	n/a	n/a	7.0	30
University of Alberta					Assay Description Enzyme activity was measured by monitoring the appearance of fluorescent product, 6-methoxy-naphthaldehyde (ex@330 nm and em@ 465 nm) on a SpectraMax...				J Mol Biol 381: 897-912 (2008) Article DOI: 10.1016/j.jmb.2008.06.030 BindingDB Entry DOI: 10.7270/Q2D50K94
					More data for this Ligand-Target Pair
Epoxide hydrolase B (Mycobacterium tuberculosis)	BDBM25741 (4-{[4-({[4-(trifluoromethoxy)phenyl]carbamoyl}amin...) Show SMILES OC(=O)c1ccc(OC2CCC(CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |(13.39,-4.44,;13.39,-2.9,;14.72,-2.13,;12.06,-2.13,;12.06,-.59,;10.72,.18,;9.39,-.59,;7.9,-.2,;7.9,1.34,;6.86,2.47,;5.01,1.58,;3.75,1.86,;4.78,.7,;6.61,1.63,;2.42,1.09,;1.08,1.86,;1.08,3.4,;-.25,1.08,;-1.58,1.85,;-2.92,1.08,;-4.25,1.85,;-4.25,3.4,;-5.58,4.17,;-6.92,3.39,;-8.25,4.16,;-8.25,2.62,;-6.92,1.85,;-2.92,4.17,;-1.58,3.4,;9.39,-2.13,;10.72,-2.9,)| Show InChI InChI=1S/C21H21F3N2O5/c22-21(23,24)31-18-11-5-15(6-12-18)26-20(29)25-14-3-9-17(10-4-14)30-16-7-1-13(2-8-16)19(27)28/h1-2,5-8,11-12,14,17H,3-4,9-10H2,(H,27,28)(H2,25,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.21E+4	n/a	n/a	n/a	n/a	7.0	30
University of Alberta					Assay Description Enzyme activity was measured by monitoring the appearance of fluorescent product, 6-methoxy-naphthaldehyde (ex@330 nm and em@ 465 nm) on a SpectraMax...				J Mol Biol 381: 897-912 (2008) Article DOI: 10.1016/j.jmb.2008.06.030 BindingDB Entry DOI: 10.7270/Q2D50K94
					More data for this Ligand-Target Pair
Epoxide hydrolase B (Mycobacterium tuberculosis)	BDBM25735 (6-[(adamantan-1-ylcarbamoyl)amino]hexanoic acid | ...) Show SMILES OC(=O)CCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:19:14:21:18.17.20,19:18:14.15.13:21,THB:17:16:13:18.19.20,17:18:13:16.15.21| Show InChI InChI=1S/C17H28N2O3/c20-15(21)4-2-1-3-5-18-16(22)19-17-9-12-6-13(10-17)8-14(7-12)11-17/h12-14H,1-11H2,(H,20,21)(H2,18,19,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.67E+4	n/a	n/a	n/a	n/a	7.0	30
University of Alberta					Assay Description Enzyme activity was measured by monitoring the appearance of fluorescent product, 6-methoxy-naphthaldehyde (ex@330 nm and em@ 465 nm) on a SpectraMax...				J Mol Biol 381: 897-912 (2008) Article DOI: 10.1016/j.jmb.2008.06.030 BindingDB Entry DOI: 10.7270/Q2D50K94
					More data for this Ligand-Target Pair
Epoxide hydrolase B (Mycobacterium tuberculosis)	BDBM25734 (4-[(adamantan-1-ylcarbamoyl)amino]butanoic acid | ...) Show SMILES OC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:17:12:19:16.15.18,17:16:12.13.11:19,THB:15:14:11:16.17.18,15:16:11:14.13.19| Show InChI InChI=1S/C15H24N2O3/c18-13(19)2-1-3-16-14(20)17-15-7-10-4-11(8-15)6-12(5-10)9-15/h10-12H,1-9H2,(H,18,19)(H2,16,17,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.85E+4	n/a	n/a	n/a	n/a	7.0	30
University of Alberta					Assay Description Enzyme activity was measured by monitoring the appearance of fluorescent product, 6-methoxy-naphthaldehyde (ex@330 nm and em@ 465 nm) on a SpectraMax...				J Mol Biol 381: 897-912 (2008) Article DOI: 10.1016/j.jmb.2008.06.030 BindingDB Entry DOI: 10.7270/Q2D50K94
					More data for this Ligand-Target Pair
Epoxide hydrolase B (Mycobacterium tuberculosis)	BDBM25745 (3-(1-methanesulfonylpiperidin-4-yl)-1-[4-(trifluor...) Show SMILES CS(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C14H18F3N3O4S/c1-25(22,23)20-8-6-11(7-9-20)19-13(21)18-10-2-4-12(5-3-10)24-14(15,16)17/h2-5,11H,6-9H2,1H3,(H2,18,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.79E+4	n/a	n/a	n/a	n/a	7.0	30
University of Alberta					Assay Description Enzyme activity was measured by monitoring the appearance of fluorescent product, 6-methoxy-naphthaldehyde (ex@330 nm and em@ 465 nm) on a SpectraMax...				J Mol Biol 381: 897-912 (2008) Article DOI: 10.1016/j.jmb.2008.06.030 BindingDB Entry DOI: 10.7270/Q2D50K94
					More data for this Ligand-Target Pair
Epoxide hydrolase B (Mycobacterium tuberculosis)	BDBM25744 (3-(1-acetylpiperidin-4-yl)-1-[4-(trifluoromethoxy)...) Show SMILES CC(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C15H18F3N3O3/c1-10(22)21-8-6-12(7-9-21)20-14(23)19-11-2-4-13(5-3-11)24-15(16,17)18/h2-5,12H,6-9H2,1H3,(H2,19,20,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.16E+4	n/a	n/a	n/a	n/a	7.0	30
University of Alberta					Assay Description Enzyme activity was measured by monitoring the appearance of fluorescent product, 6-methoxy-naphthaldehyde (ex@330 nm and em@ 465 nm) on a SpectraMax...				J Mol Biol 381: 897-912 (2008) Article DOI: 10.1016/j.jmb.2008.06.030 BindingDB Entry DOI: 10.7270/Q2D50K94
					More data for this Ligand-Target Pair
Epoxide hydrolase B (Mycobacterium tuberculosis)	BDBM25743 (1-cycloheptyl-3-(1-acetylpiperidin-4-yl)urea | US8...) Show SMILES CC(=O)N1CCC(CC1)NC(=O)NC1CCCCCC1 Show InChI InChI=1S/C15H27N3O2/c1-12(19)18-10-8-14(9-11-18)17-15(20)16-13-6-4-2-3-5-7-13/h13-14H,2-11H2,1H3,(H2,16,17,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.49E+4	n/a	n/a	n/a	n/a	7.0	30
University of Alberta					Assay Description Enzyme activity was measured by monitoring the appearance of fluorescent product, 6-methoxy-naphthaldehyde (ex@330 nm and em@ 465 nm) on a SpectraMax...				J Mol Biol 381: 897-912 (2008) Article DOI: 10.1016/j.jmb.2008.06.030 BindingDB Entry DOI: 10.7270/Q2D50K94
					More data for this Ligand-Target Pair
Epoxide hydrolase B (Mycobacterium tuberculosis)	BDBM25739 (4-({4-[(adamantan-1-ylcarbamoyl)amino]cyclohexyl}o...) Show SMILES OC(=O)c1ccc(OC2CCC(CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:25:20:27:24.23.26,25:24:20.21.19:27,THB:23:22:19:24.25.26,23:24:19:22.21.27,(14.72,-2.13,;14.72,-.59,;16.06,.18,;13.39,.18,;13.39,1.72,;12.06,2.49,;10.72,1.72,;9.24,2.11,;7.9,1.34,;6.86,2.47,;5.01,1.58,;3.75,1.86,;4.78,.7,;6.61,1.63,;2.42,1.09,;1.08,1.86,;1.08,3.4,;-.25,1.08,;-1.58,1.85,;-1.14,3.3,;-2.2,4.45,;-3.36,3.57,;-3.92,1.7,;-5.24,1.54,;-4.25,2.53,;-3.76,4.14,;-3.03,1.56,;-2.63,.75,;10.72,.18,;12.06,-.59,)| Show InChI InChI=1S/C24H32N2O4/c27-22(28)18-1-5-20(6-2-18)30-21-7-3-19(4-8-21)25-23(29)26-24-12-15-9-16(13-24)11-17(10-15)14-24/h1-2,5-6,15-17,19,21H,3-4,7-14H2,(H,27,28)(H2,25,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.0	30
University of Alberta					Assay Description Enzyme activity was measured by monitoring the appearance of fluorescent product, 6-methoxy-naphthaldehyde (ex@330 nm and em@ 465 nm) on a SpectraMax...				J Mol Biol 381: 897-912 (2008) Article DOI: 10.1016/j.jmb.2008.06.030 BindingDB Entry DOI: 10.7270/Q2D50K94
					More data for this Ligand-Target Pair