Compile Data Set for Download or QSAR

Found 24 hits of ic50 for UniProtKB: P95276   

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
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)	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	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant EphB expressed in Escherichia coli BL21 using CMNPC as substrate after 30 mins by fluorescent as...				Bioorg Med Chem 19: 5585-95 (2011) Article DOI: 10.1016/j.bmc.2011.07.034 BindingDB Entry DOI: 10.7270/Q2V69JZ1
					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)	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	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant EphB expressed in Escherichia coli BL21 using CMNPC as substrate after 30 mins by fluorescent as...				Bioorg Med Chem 19: 5585-95 (2011) Article DOI: 10.1016/j.bmc.2011.07.034 BindingDB Entry DOI: 10.7270/Q2V69JZ1
					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	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant EphB expressed in Escherichia coli BL21 using CMNPC as substrate after 30 mins by fluorescent as...				Bioorg Med Chem 19: 5585-95 (2011) Article DOI: 10.1016/j.bmc.2011.07.034 BindingDB Entry DOI: 10.7270/Q2V69JZ1
					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)	BDBM50351208 (CHEMBL1818421) Show SMILES CC(=O)C1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1 |(30.1,-36.9,;28.77,-36.13,;28.77,-34.59,;27.43,-36.9,;27.43,-38.44,;26.1,-39.2,;24.77,-38.43,;24.76,-36.89,;26.1,-36.12,;23.44,-39.2,;22.1,-38.43,;22.1,-36.89,;20.77,-39.2,;19.44,-38.43,;18.1,-39.21,;16.76,-38.43,;16.77,-36.89,;15.43,-36.12,;14.1,-36.89,;12.77,-36.12,;14.1,-38.43,;12.76,-37.65,;18.1,-36.12,;19.43,-36.88,)| Show InChI InChI=1S/C16H19F3N2O3/c1-10(22)11-2-4-12(5-3-11)20-15(23)21-13-6-8-14(9-7-13)24-16(17,18)19/h6-9,11-12H,2-5H2,1H3,(H2,20,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant EphB expressed in Escherichia coli BL21 using CMNPC as substrate after 30 mins by fluorescent as...				Bioorg Med Chem 19: 5585-95 (2011) Article DOI: 10.1016/j.bmc.2011.07.034 BindingDB Entry DOI: 10.7270/Q2V69JZ1
					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