Compile Data Set for Download or QSAR

Found 115 hits with Last Name = 'grzegorzewicz' and Initial = 'ae'   

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
dTDP-4-dehydrorhamnose 3,5-epimerase (Mycobacterium tuberculosis H37Rv)	BDBM50481568 (CHEMBL592712) Show SMILES C=CCn1c2ccccc2c2nnc(SCCCn3c4ccccc4[nH]c3=O)nc12 Show InChI InChI=1S/C22H20N6OS/c1-2-12-27-17-10-5-3-8-15(17)19-20(27)24-21(26-25-19)30-14-7-13-28-18-11-6-4-9-16(18)23-22(28)29/h2-6,8-11H,1,7,12-14H2,(H,23,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis RmlC expressed in Escherichia coli by spectrophotometry				Bioorg Med Chem 18: 896-908 (2010) Article DOI: 10.1016/j.bmc.2009.11.033 BindingDB Entry DOI: 10.7270/Q2N300SV
					More data for this Ligand-Target Pair
dTDP-4-dehydrorhamnose 3,5-epimerase (Mycobacterium tuberculosis H37Rv)	BDBM51599 (3-[3-[(5-ethyl-[1,2,4]triazin[5,6-b]indol-3-yl)thi...) Show SMILES CCn1c2ccccc2c2nnc(SCCCn3c4ccccc4[nH]c3=O)nc12 Show InChI InChI=1S/C21H20N6OS/c1-2-26-16-10-5-3-8-14(16)18-19(26)23-20(25-24-18)29-13-7-12-27-17-11-6-4-9-15(17)22-21(27)28/h3-6,8-11H,2,7,12-13H2,1H3,(H,22,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis RmlC expressed in Escherichia coli by spectrophotometry				Bioorg Med Chem 18: 896-908 (2010) Article DOI: 10.1016/j.bmc.2009.11.033 BindingDB Entry DOI: 10.7270/Q2N300SV
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50194500 (1-adamantan-1-yl-3-[4-(4-fluoro-phenoxy)-cyclohexy...) Show SMILES Fc1ccc(O[C@@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |wD:9.12,6.5,TLB:15:16:19:23.22.21,THB:17:18:21:25.16.24,17:16:19.18.23:21,24:16:19:23.22.21,24:22:19:25.17.16,(23.93,-16.11,;24.66,-14.74,;23.84,-13.43,;24.56,-12.07,;26.1,-12.02,;26.82,-10.66,;26,-9.35,;24.46,-9.4,;23.64,-8.1,;24.37,-6.75,;25.9,-6.67,;26.72,-7.99,;23.55,-5.45,;22,-5.51,;21.18,-4.2,;21.29,-6.87,;19.75,-6.93,;19.3,-8.5,;17.78,-8.52,;16.56,-9.49,;17.17,-7.85,;16.59,-6.47,;17.66,-5.52,;17.17,-7.05,;19.17,-5.51,;18.59,-7.79,;26.92,-13.32,;26.2,-14.68,)| Show InChI InChI=1S/C23H31FN2O2/c24-18-1-5-20(6-2-18)28-21-7-3-19(4-8-21)25-22(27)26-23-12-15-9-16(13-23)11-17(10-15)14-23/h1-2,5-6,15-17,19,21H,3-4,7-14H2,(H2,25,26,27)/t15?,16?,17?,19-,21+,23?	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...				Bioorg Med Chem 20: 3255-62 (2012) Article DOI: 10.1016/j.bmc.2012.03.058 BindingDB Entry DOI: 10.7270/Q28W3FB2
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50351248 (CHEMBL1818384) Show SMILES Fc1ccc(NC(=O)NC2C3CC4CC(C3)CC2C4)c(F)c1F |TLB:18:17:15:11.12.13,THB:8:9:15:11.12.13,18:12:9.17.16:15,13:12:9:16.14.15,13:14:9:11.18.12,(-9.43,3.25,;-8.09,2.48,;-6.76,3.25,;-5.43,2.49,;-5.42,.94,;-4.09,.17,;-2.75,.94,;-2.76,2.48,;-1.42,.17,;-.09,.95,;1.13,2.21,;2.44,1.7,;3.84,2.02,;3.88,3.55,;2.49,4.15,;1.14,3.69,;1.43,2.93,;1.41,1.35,;2.82,.76,;-6.76,.17,;-6.76,-1.37,;-8.09,.94,;-9.43,.17,)| Show InChI InChI=1S/C17H19F3N2O/c18-12-1-2-13(15(20)14(12)19)21-17(23)22-16-10-4-8-3-9(6-10)7-11(16)5-8/h1-2,8-11,16H,3-7H2,(H2,21,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...				Bioorg Med Chem 20: 3255-62 (2012) Article DOI: 10.1016/j.bmc.2012.03.058 BindingDB Entry DOI: 10.7270/Q28W3FB2
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50217458 (CHEMBL244192 | cis-1-adamantan-1-yl-3-[4-(4-methox...) Show SMILES COc1ccc(O[C@@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |wU:10.13,7.6,TLB:16:17:20.19.24:22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17,16:17:20:24.23.22,(5.89,-12.26,;5.07,-10.96,;3.53,-11.02,;2.8,-12.38,;1.27,-12.43,;.45,-11.13,;-1.09,-11.18,;-1.81,-12.54,;-3.35,-12.6,;-4.07,-13.97,;-3.26,-15.26,;-1.71,-15.21,;-.99,-13.85,;-3.97,-16.62,;-5.51,-16.68,;-6.33,-15.38,;-6.23,-18.05,;-7.77,-18.11,;-8.78,-19.39,;-10.19,-18.82,;-11.69,-19.24,;-10.49,-17.97,;-10.5,-16.48,;-9.15,-16.01,;-10.19,-17.24,;-7.75,-16.58,;-9.17,-18.46,;1.17,-9.77,;2.7,-9.71,)| Show InChI InChI=1S/C24H34N2O3/c1-28-20-6-8-22(9-7-20)29-21-4-2-19(3-5-21)25-23(27)26-24-13-16-10-17(14-24)12-18(11-16)15-24/h6-9,16-19,21H,2-5,10-15H2,1H3,(H2,25,26,27)/t16?,17?,18?,19-,21+,24?	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...				Bioorg Med Chem 20: 3255-62 (2012) Article DOI: 10.1016/j.bmc.2012.03.058 BindingDB Entry DOI: 10.7270/Q28W3FB2
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50383462 (CHEMBL2031797) Show SMILES Ic1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:8:9:12:16.15.14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9| Show InChI InChI=1S/C17H21IN2O/c18-14-1-3-15(4-2-14)19-16(21)20-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H2,19,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...				Bioorg Med Chem 20: 3255-62 (2012) Article DOI: 10.1016/j.bmc.2012.03.058 BindingDB Entry DOI: 10.7270/Q28W3FB2
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50217459 (CHEMBL243335 | trans-1-adamantan-1-yl-3-[4-(4-fluo...) Show SMILES Fc1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |wU:6.5,wD:9.12,TLB:15:16:19.18.23:21,THB:17:18:21:25.16.24,17:16:19.18.23:21,24:16:19:23.22.21,24:22:19:25.17.16,15:16:19:23.22.21,(31.83,-10.88,;30.29,-10.94,;29.56,-12.3,;28.03,-12.36,;27.21,-11.05,;25.67,-11.11,;24.95,-12.47,;25.77,-13.77,;25.05,-15.13,;23.5,-15.18,;22.68,-13.89,;23.41,-12.52,;22.79,-16.55,;21.25,-16.61,;20.42,-15.31,;20.53,-17.97,;18.99,-18.03,;17.98,-19.31,;16.57,-18.75,;15.07,-19.17,;16.27,-17.89,;16.26,-16.4,;17.6,-15.93,;16.56,-17.16,;19,-16.51,;17.59,-18.38,;27.92,-9.69,;29.46,-9.63,)| Show InChI InChI=1S/C23H31FN2O2/c24-18-1-5-20(6-2-18)28-21-7-3-19(4-8-21)25-22(27)26-23-12-15-9-16(13-23)11-17(10-15)14-23/h1-2,5-6,15-17,19,21H,3-4,7-14H2,(H2,25,26,27)/t15?,16?,17?,19-,21-,23?	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...				Bioorg Med Chem 20: 3255-62 (2012) Article DOI: 10.1016/j.bmc.2012.03.058 BindingDB Entry DOI: 10.7270/Q28W3FB2
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50383471 (CHEMBL2031812) Show SMILES O=C(Nc1ccc(Oc2ccccc2)cc1)NC12CC3CC(CC(C3)C1)C2 |TLB:16:17:20:24.23.22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17| Show InChI InChI=1S/C23H26N2O2/c26-22(25-23-13-16-10-17(14-23)12-18(11-16)15-23)24-19-6-8-21(9-7-19)27-20-4-2-1-3-5-20/h1-9,16-18H,10-15H2,(H2,24,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...				Bioorg Med Chem 20: 3255-62 (2012) Article DOI: 10.1016/j.bmc.2012.03.058 BindingDB Entry DOI: 10.7270/Q28W3FB2
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50383517 (CHEMBL2032045) Show SMILES Clc1cc(NC(=O)NC23CC4CC(CC(C4)C2)C3)ccc1OCCN1CCOCC1 |TLB:7:8:11:15.14.13,THB:9:10:13:17.8.16,9:8:11.10.15:13,16:8:11:15.14.13,16:14:11:17.9.8| Show InChI InChI=1S/C23H32ClN3O3/c24-20-12-19(1-2-21(20)30-8-5-27-3-6-29-7-4-27)25-22(28)26-23-13-16-9-17(14-23)11-18(10-16)15-23/h1-2,12,16-18H,3-11,13-15H2,(H2,25,26,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...				Bioorg Med Chem 20: 3255-62 (2012) Article DOI: 10.1016/j.bmc.2012.03.058 BindingDB Entry DOI: 10.7270/Q28W3FB2
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50196661 (12-(3-adamantan-1-yl-ureido)-dodecanoic acid butyl...) Show SMILES CCCCOC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:21:22:25:29.28.27,THB:23:24:27:31.22.30,23:22:25.24.29:27,30:22:25:29.28.27,30:28:25:31.23.22| Show InChI InChI=1S/C27H48N2O3/c1-2-3-15-32-25(30)13-11-9-7-5-4-6-8-10-12-14-28-26(31)29-27-19-22-16-23(20-27)18-24(17-22)21-27/h22-24H,2-21H2,1H3,(H2,28,29,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...				Bioorg Med Chem 20: 3255-62 (2012) Article DOI: 10.1016/j.bmc.2012.03.058 BindingDB Entry DOI: 10.7270/Q28W3FB2
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50217451 (CHEMBL427695 | trans-1-adamantan-1-yl-3-[4-(4-meth...) Show SMILES COc1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |wU:7.6,wD:10.13,TLB:16:17:20.19.24:22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17,16:17:20:24.23.22,(5.84,-12.14,;5.02,-10.84,;3.48,-10.9,;2.76,-12.26,;1.22,-12.31,;.41,-11.01,;-1.13,-11.06,;-1.85,-12.42,;-1.04,-13.73,;-1.75,-15.08,;-3.3,-15.14,;-4.12,-13.84,;-3.39,-12.48,;-4.01,-16.5,;-5.55,-16.56,;-6.38,-15.26,;-6.27,-17.93,;-7.81,-17.99,;-8.82,-19.27,;-10.23,-18.7,;-11.73,-19.12,;-10.53,-17.85,;-10.54,-16.36,;-9.2,-15.88,;-10.24,-17.12,;-7.8,-16.46,;-9.21,-18.33,;1.12,-9.65,;2.66,-9.59,)| Show InChI InChI=1S/C24H34N2O3/c1-28-20-6-8-22(9-7-20)29-21-4-2-19(3-5-21)25-23(27)26-24-13-16-10-17(14-24)12-18(11-16)15-24/h6-9,16-19,21H,2-5,10-15H2,1H3,(H2,25,26,27)/t16?,17?,18?,19-,21-,24?	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...				Bioorg Med Chem 20: 3255-62 (2012) Article DOI: 10.1016/j.bmc.2012.03.058 BindingDB Entry DOI: 10.7270/Q28W3FB2
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50383484 (CHEMBL2031931 | US8815951, 343) Show SMILES FC(F)(F)Oc1ccc(NC(=O)NC2CCCCC2)cc1 Show InChI InChI=1S/C14H17F3N2O2/c15-14(16,17)21-12-8-6-11(7-9-12)19-13(20)18-10-4-2-1-3-5-10/h6-10H,1-5H2,(H2,18,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...				Bioorg Med Chem 20: 3255-62 (2012) Article DOI: 10.1016/j.bmc.2012.03.058 BindingDB Entry DOI: 10.7270/Q28W3FB2
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50383482 (CHEMBL2031930) Show SMILES CCOC(=O)C(F)(F)Oc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:16:17:20:24.23.22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17| Show InChI InChI=1S/C21H26F2N2O4/c1-2-28-18(26)21(22,23)29-17-5-3-16(4-6-17)24-19(27)25-20-10-13-7-14(11-20)9-15(8-13)12-20/h3-6,13-15H,2,7-12H2,1H3,(H2,24,25,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...				Bioorg Med Chem 20: 3255-62 (2012) Article DOI: 10.1016/j.bmc.2012.03.058 BindingDB Entry DOI: 10.7270/Q28W3FB2
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50383470 (CHEMBL2031808) Show SMILES CCOC(=O)COc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:14:15:18:22.21.20,THB:16:17:20:24.15.23,16:15:18.17.22:20,23:15:18:22.21.20,23:21:18:24.16.15| Show InChI InChI=1S/C21H28N2O4/c1-2-26-19(24)13-27-18-5-3-17(4-6-18)22-20(25)23-21-10-14-7-15(11-21)9-16(8-14)12-21/h3-6,14-16H,2,7-13H2,1H3,(H2,22,23,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...				Bioorg Med Chem 20: 3255-62 (2012) Article DOI: 10.1016/j.bmc.2012.03.058 BindingDB Entry DOI: 10.7270/Q28W3FB2
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50383473 (CHEMBL2031816) Show SMILES O=C(Nc1cccc(Oc2ccccc2)c1)NC12CC3CC(CC(C3)C1)C2 |TLB:16:17:20:24.23.22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17| Show InChI InChI=1S/C23H26N2O2/c26-22(25-23-13-16-9-17(14-23)11-18(10-16)15-23)24-19-5-4-8-21(12-19)27-20-6-2-1-3-7-20/h1-8,12,16-18H,9-11,13-15H2,(H2,24,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...				Bioorg Med Chem 20: 3255-62 (2012) Article DOI: 10.1016/j.bmc.2012.03.058 BindingDB Entry DOI: 10.7270/Q28W3FB2
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50383476 (CHEMBL2031923 | US8815951, 438) Show SMILES O=C(NCCCc1ccccc1)NC12CC3CC(CC(C3)C1)C2 |TLB:12:13:16:20.19.18,THB:14:15:18:22.13.21,14:13:16.15.20:18,21:13:16:20.19.18,21:19:16:22.14.13| Show InChI InChI=1S/C20H28N2O/c23-19(21-8-4-7-15-5-2-1-3-6-15)22-20-12-16-9-17(13-20)11-18(10-16)14-20/h1-3,5-6,16-18H,4,7-14H2,(H2,21,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...				Bioorg Med Chem 20: 3255-62 (2012) Article DOI: 10.1016/j.bmc.2012.03.058 BindingDB Entry DOI: 10.7270/Q28W3FB2
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50383503 (CHEMBL2031950) Show SMILES O=C(N[C@H]1CC[C@@H](CC1)OC(=O)c1ccccc1)NC12CC3CC(CC(C3)C1)C2 |r,wU:3.2,wD:6.9,TLB:18:19:22:26.25.24,THB:20:21:24:28.19.27,20:19:22.21.26:24,27:19:22:26.25.24,27:25:22:28.20.19,(-5.11,-31.85,;-5.11,-33.39,;-3.77,-34.16,;-2.44,-33.39,;-2.44,-31.85,;-1.1,-31.08,;.23,-31.86,;.23,-33.4,;-1.1,-34.16,;1.57,-31.09,;2.9,-31.87,;2.9,-33.41,;4.24,-31.1,;5.56,-31.88,;6.9,-31.12,;6.9,-29.57,;5.56,-28.8,;4.23,-29.57,;-6.44,-34.16,;-7.77,-33.39,;-8.78,-34.67,;-10.19,-34.11,;-11.69,-34.53,;-10.49,-33.26,;-10.5,-31.76,;-9.15,-31.29,;-10.19,-32.52,;-7.76,-31.86,;-9.16,-33.74,)| Show InChI InChI=1S/C24H32N2O3/c27-22(19-4-2-1-3-5-19)29-21-8-6-20(7-9-21)25-23(28)26-24-13-16-10-17(14-24)12-18(11-16)15-24/h1-5,16-18,20-21H,6-15H2,(H2,25,26,28)/t16?,17?,18?,20-,21-,24?	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...				Bioorg Med Chem 20: 3255-62 (2012) Article DOI: 10.1016/j.bmc.2012.03.058 BindingDB Entry DOI: 10.7270/Q28W3FB2
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50383479 (CHEMBL2031927 | US8815951, 180) Show SMILES CC(C)c1ccc(NC(=O)NCC2CCCCC2)cc1 Show InChI InChI=1S/C17H26N2O/c1-13(2)15-8-10-16(11-9-15)19-17(20)18-12-14-6-4-3-5-7-14/h8-11,13-14H,3-7,12H2,1-2H3,(H2,18,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...				Bioorg Med Chem 20: 3255-62 (2012) Article DOI: 10.1016/j.bmc.2012.03.058 BindingDB Entry DOI: 10.7270/Q28W3FB2
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50217470 (CHEMBL395988 | trans-1-adamantan-1-yl-3-(4-benzylo...) Show SMILES O=C(N[C@H]1CC[C@@H](CC1)OCc1ccccc1)NC12CC3CC(CC(C3)C1)C2 |wU:6.9,wD:3.2,TLB:17:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18,17:18:21:25.24.23,(22.51,-19.43,;23.33,-20.73,;24.87,-20.67,;25.59,-19.3,;27.13,-19.25,;27.85,-17.89,;27.03,-16.59,;25.49,-16.65,;24.77,-18.01,;27.75,-15.23,;29.29,-15.17,;30.01,-13.81,;31.55,-13.76,;32.27,-12.41,;31.46,-11.1,;29.92,-11.15,;29.19,-12.51,;22.61,-22.09,;21.08,-22.15,;20.06,-23.43,;18.65,-22.87,;17.16,-23.29,;18.35,-22.01,;18.34,-20.53,;19.69,-20.05,;18.65,-21.28,;21.09,-20.63,;19.68,-22.5,)| Show InChI InChI=1S/C24H34N2O2/c27-23(26-24-13-18-10-19(14-24)12-20(11-18)15-24)25-21-6-8-22(9-7-21)28-16-17-4-2-1-3-5-17/h1-5,18-22H,6-16H2,(H2,25,26,27)/t18?,19?,20?,21-,22-,24?	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...				Bioorg Med Chem 20: 3255-62 (2012) Article DOI: 10.1016/j.bmc.2012.03.058 BindingDB Entry DOI: 10.7270/Q28W3FB2
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50217460 (CHEMBL243125 | trans-1-adamantan-1-yl-3-[4-(4-brom...) Show SMILES Brc1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |wU:6.5,wD:9.12,TLB:15:16:19.18.23:21,THB:17:18:21:25.16.24,17:16:19.18.23:21,24:16:19:23.22.21,24:22:19:25.17.16,15:16:19:23.22.21,(34.33,3.61,;32.79,3.55,;32.06,2.19,;30.53,2.13,;29.71,3.44,;28.17,3.38,;27.45,2.02,;28.27,.71,;27.55,-.64,;26,-.7,;25.18,.6,;25.91,1.96,;25.29,-2.06,;23.75,-2.12,;22.92,-.82,;23.03,-3.49,;21.49,-3.55,;20.48,-4.82,;19.07,-4.26,;17.57,-4.68,;18.77,-3.41,;18.76,-1.92,;20.1,-1.44,;19.06,-2.67,;21.5,-2.02,;20.09,-3.89,;30.42,4.8,;31.96,4.86,)| Show InChI InChI=1S/C23H31BrN2O2/c24-18-1-5-20(6-2-18)28-21-7-3-19(4-8-21)25-22(27)26-23-12-15-9-16(13-23)11-17(10-15)14-23/h1-2,5-6,15-17,19,21H,3-4,7-14H2,(H2,25,26,27)/t15?,16?,17?,19-,21-,23?	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...				Bioorg Med Chem 20: 3255-62 (2012) Article DOI: 10.1016/j.bmc.2012.03.058 BindingDB Entry DOI: 10.7270/Q28W3FB2
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50223391 (1-Adamantan-1-yl-3-{3-[2-(2-ethoxy-ethoxy)-ethoxy]...) Show SMILES CCOCCOCCOc1cccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1 |TLB:17:18:21:25.24.23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18| Show InChI InChI=1S/C23H34N2O4/c1-2-27-6-7-28-8-9-29-21-5-3-4-20(13-21)24-22(26)25-23-14-17-10-18(15-23)12-19(11-17)16-23/h3-5,13,17-19H,2,6-12,14-16H2,1H3,(H2,24,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...				Bioorg Med Chem 20: 3255-62 (2012) Article DOI: 10.1016/j.bmc.2012.03.058 BindingDB Entry DOI: 10.7270/Q28W3FB2
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50383478 (CHEMBL2031926) Show SMILES CCCCCO[C@H]1CC[C@@H](CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |r,wU:6.5,wD:9.12,TLB:15:16:19:23.22.21,THB:17:18:21:25.16.24,17:16:19.18.23:21,24:16:19:23.22.21,24:22:19:25.17.16,(42.92,-15.73,;41.59,-14.96,;40.25,-15.72,;38.92,-14.95,;37.58,-15.71,;36.25,-14.94,;34.92,-15.7,;34.91,-17.24,;33.58,-18.01,;32.24,-17.24,;32.24,-15.69,;33.58,-14.93,;30.91,-18.01,;29.57,-17.24,;29.58,-15.7,;28.24,-18.01,;26.91,-17.24,;25.9,-18.52,;24.49,-17.96,;22.99,-18.38,;24.19,-17.1,;24.18,-15.61,;25.53,-15.14,;24.49,-16.37,;26.92,-15.71,;25.52,-17.59,)| Show InChI InChI=1S/C22H38N2O2/c1-2-3-4-9-26-20-7-5-19(6-8-20)23-21(25)24-22-13-16-10-17(14-22)12-18(11-16)15-22/h16-20H,2-15H2,1H3,(H2,23,24,25)/t16?,17?,18?,19-,20-,22?	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...				Bioorg Med Chem 20: 3255-62 (2012) Article DOI: 10.1016/j.bmc.2012.03.058 BindingDB Entry DOI: 10.7270/Q28W3FB2
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50383494 (CHEMBL2031941) Show SMILES CCOCCOCCOCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:18:19:22:26.25.24,THB:20:21:24:28.19.27,20:19:22.21.26:24,27:19:22:26.25.24,27:25:22:28.20.19| Show InChI InChI=1S/C23H42N2O4/c1-2-27-9-10-29-12-11-28-8-6-4-3-5-7-24-22(26)25-23-16-19-13-20(17-23)15-21(14-19)18-23/h19-21H,2-18H2,1H3,(H2,24,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...				Bioorg Med Chem 20: 3255-62 (2012) Article DOI: 10.1016/j.bmc.2012.03.058 BindingDB Entry DOI: 10.7270/Q28W3FB2
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50383469 (CHEMBL2031807) Show SMILES CC(=O)c1cccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1 |TLB:11:12:15:19.18.17,THB:13:14:17:21.12.20,13:12:15.14.19:17,20:12:15:19.18.17,20:18:15:21.13.12| Show InChI InChI=1S/C19H24N2O2/c1-12(22)16-3-2-4-17(8-16)20-18(23)21-19-9-13-5-14(10-19)7-15(6-13)11-19/h2-4,8,13-15H,5-7,9-11H2,1H3,(H2,20,21,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...				Bioorg Med Chem 20: 3255-62 (2012) Article DOI: 10.1016/j.bmc.2012.03.058 BindingDB Entry DOI: 10.7270/Q28W3FB2
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50383510 (CHEMBL2031951) Show SMILES C=CCO[C@@H]1CC[C@@H](CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |r,wD:7.10,4.3,TLB:13:14:17:21.20.19,THB:15:16:19:23.14.22,15:14:17.16.21:19,22:14:17:21.20.19,22:20:17:23.15.14,(44.74,-48.95,;43.41,-48.18,;42.07,-48.94,;40.74,-48.16,;39.4,-48.93,;39.39,-50.47,;38.06,-51.23,;36.73,-50.46,;36.73,-48.92,;38.07,-48.15,;35.4,-51.23,;34.06,-50.46,;34.06,-48.92,;32.73,-51.23,;31.4,-50.47,;30.39,-51.74,;28.98,-51.19,;27.48,-51.61,;28.68,-50.33,;28.67,-48.84,;30.02,-48.37,;28.98,-49.59,;31.41,-48.94,;30.01,-50.81,)| Show InChI InChI=1S/C20H32N2O2/c1-2-7-24-18-5-3-17(4-6-18)21-19(23)22-20-11-14-8-15(12-20)10-16(9-14)13-20/h2,14-18H,1,3-13H2,(H2,21,22,23)/t14?,15?,16?,17-,18+,20?	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...				Bioorg Med Chem 20: 3255-62 (2012) Article DOI: 10.1016/j.bmc.2012.03.058 BindingDB Entry DOI: 10.7270/Q28W3FB2
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50217454 (CHEMBL395738 | cis-1-adamantan-1-yl-3-[4-(2,6-difl...) Show SMILES Fc1cccc(F)c1CO[C@@H]1CC[C@@H](CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |wU:13.17,10.10,TLB:19:20:23.22.27:25,THB:21:22:25:29.20.28,21:20:23.22.27:25,28:20:23:27.26.25,28:26:23:29.21.20,19:20:23:27.26.25,(3.82,2.41,;3.01,3.72,;3.73,5.07,;2.92,6.38,;1.38,6.33,;.65,4.97,;-.89,4.91,;1.47,3.67,;.75,2.31,;-.79,2.25,;-1.51,.89,;-3.05,.83,;-3.77,-.53,;-2.96,-1.83,;-1.41,-1.77,;-.69,-.42,;-3.67,-3.19,;-5.21,-3.25,;-6.03,-1.95,;-5.93,-4.61,;-7.47,-4.68,;-8.48,-5.95,;-9.89,-5.39,;-11.39,-5.81,;-10.19,-4.53,;-10.2,-3.05,;-8.85,-2.57,;-9.89,-3.8,;-7.45,-3.15,;-8.86,-5.02,)| Show InChI InChI=1S/C24H32F2N2O2/c25-21-2-1-3-22(26)20(21)14-30-19-6-4-18(5-7-19)27-23(29)28-24-11-15-8-16(12-24)10-17(9-15)13-24/h1-3,15-19H,4-14H2,(H2,27,28,29)/t15?,16?,17?,18-,19+,24?	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...				Bioorg Med Chem 20: 3255-62 (2012) Article DOI: 10.1016/j.bmc.2012.03.058 BindingDB Entry DOI: 10.7270/Q28W3FB2
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50383504 (CHEMBL2031802) Show SMILES FC(F)C(F)(F)Oc1cccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1 |TLB:15:16:19:23.22.21,THB:17:18:21:25.16.24,17:16:19.18.23:21,24:16:19:23.22.21,24:22:19:25.17.16| Show InChI InChI=1S/C19H22F4N2O2/c20-16(21)19(22,23)27-15-3-1-2-14(7-15)24-17(26)25-18-8-11-4-12(9-18)6-13(5-11)10-18/h1-3,7,11-13,16H,4-6,8-10H2,(H2,24,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...				Bioorg Med Chem 20: 3255-62 (2012) Article DOI: 10.1016/j.bmc.2012.03.058 BindingDB Entry DOI: 10.7270/Q28W3FB2
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50217448 (CHEMBL242459 | US9029401, 1471 (t-AUCB) | trans-4-...) Show SMILES OC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |wU:8.7,wD:11.14,TLB:17:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18,17:18:21:25.24.23,(19.63,-26.42,;18.81,-25.12,;19.53,-23.76,;17.27,-25.17,;16.54,-26.54,;15.01,-26.59,;14.19,-25.28,;12.65,-25.34,;11.93,-26.7,;12.75,-28.01,;12.03,-29.36,;10.48,-29.42,;9.67,-28.12,;10.39,-26.76,;9.77,-30.78,;8.23,-30.84,;7.41,-29.54,;7.51,-32.21,;5.97,-32.27,;4.96,-33.54,;3.55,-32.98,;2.06,-33.4,;3.25,-32.13,;3.24,-30.64,;4.59,-30.16,;3.55,-31.39,;5.99,-30.74,;4.58,-32.61,;14.91,-23.93,;16.44,-23.87,)| 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)/t15?,16?,17?,19-,21-,24?	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...				Bioorg Med Chem 20: 3255-62 (2012) Article DOI: 10.1016/j.bmc.2012.03.058 BindingDB Entry DOI: 10.7270/Q28W3FB2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50383477 (CHEMBL2031924) Show SMILES CCOC(=O)c1ccc(O[C@@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |r,wD:13.16,10.9,TLB:19:20:23:27.26.25,THB:21:22:25:29.20.28,21:20:23.22.27:25,28:20:23:27.26.25,28:26:23:29.21.20,(27.44,-6.3,;27.45,-4.76,;26.11,-3.99,;24.78,-4.75,;24.77,-6.29,;23.45,-3.98,;22.11,-4.74,;20.78,-3.97,;20.79,-2.43,;19.46,-1.65,;18.12,-2.42,;18.11,-3.96,;16.78,-4.72,;15.45,-3.95,;15.45,-2.41,;16.79,-1.64,;14.12,-4.72,;12.78,-3.95,;12.78,-2.41,;11.45,-4.72,;10.12,-3.95,;9.11,-5.23,;7.7,-4.67,;6.2,-5.09,;7.4,-3.82,;7.39,-2.33,;8.74,-1.85,;7.7,-3.08,;10.13,-2.43,;8.73,-4.3,;22.12,-1.66,;23.45,-2.43,)| Show InChI InChI=1S/C26H36N2O4/c1-2-31-24(29)20-3-7-22(8-4-20)32-23-9-5-21(6-10-23)27-25(30)28-26-14-17-11-18(15-26)13-19(12-17)16-26/h3-4,7-8,17-19,21,23H,2,5-6,9-16H2,1H3,(H2,27,28,30)/t17?,18?,19?,21-,23+,26?	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...				Bioorg Med Chem 20: 3255-62 (2012) Article DOI: 10.1016/j.bmc.2012.03.058 BindingDB Entry DOI: 10.7270/Q28W3FB2
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50383508 (CHEMBL2031789) Show SMILES O=C(N[C@H]1CC[C@H](CC1)OC1CCCCC1)NC12CC3CC(CC(C3)C1)C2 |r,wD:3.2,6.9,TLB:16:17:20:24.23.22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17,(-4.47,-38.13,;-4.47,-39.67,;-3.14,-40.44,;-1.81,-39.67,;-.47,-40.44,;.86,-39.67,;.86,-38.13,;-.47,-37.36,;-1.81,-38.13,;2.2,-37.37,;3.53,-38.15,;3.52,-39.68,;4.84,-40.46,;6.18,-39.7,;6.19,-38.16,;4.86,-37.38,;-5.81,-40.44,;-7.13,-39.67,;-8.15,-40.95,;-9.55,-40.39,;-11.05,-40.81,;-9.86,-39.53,;-9.87,-38.04,;-8.52,-37.57,;-9.56,-38.8,;-7.12,-38.14,;-8.53,-40.02,)| Show InChI InChI=1S/C23H38N2O2/c26-22(25-23-13-16-10-17(14-23)12-18(11-16)15-23)24-19-6-8-21(9-7-19)27-20-4-2-1-3-5-20/h16-21H,1-15H2,(H2,24,25,26)/t16?,17?,18?,19-,21+,23?	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...				Bioorg Med Chem 20: 3255-62 (2012) Article DOI: 10.1016/j.bmc.2012.03.058 BindingDB Entry DOI: 10.7270/Q28W3FB2
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50383472 (CHEMBL2031814) Show SMILES O=C(Nc1ccc(cc1)C(=O)c1ccccc1)NC12CC3CC(CC(C3)C1)C2 |TLB:17:18:21:25.24.23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18| Show InChI InChI=1S/C24H26N2O2/c27-22(19-4-2-1-3-5-19)20-6-8-21(9-7-20)25-23(28)26-24-13-16-10-17(14-24)12-18(11-16)15-24/h1-9,16-18H,10-15H2,(H2,25,26,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...				Bioorg Med Chem 20: 3255-62 (2012) Article DOI: 10.1016/j.bmc.2012.03.058 BindingDB Entry DOI: 10.7270/Q28W3FB2
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50383467 (CHEMBL2031803) Show SMILES CSc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:9:10:13:17.16.15,THB:11:12:15:19.10.18,11:10:13.12.17:15,18:10:13:17.16.15,18:16:13:19.11.10| Show InChI InChI=1S/C18H24N2OS/c1-22-16-4-2-15(3-5-16)19-17(21)20-18-9-12-6-13(10-18)8-14(7-12)11-18/h2-5,12-14H,6-11H2,1H3,(H2,19,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...				Bioorg Med Chem 20: 3255-62 (2012) Article DOI: 10.1016/j.bmc.2012.03.058 BindingDB Entry DOI: 10.7270/Q28W3FB2
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM41910 (1-cyclohexyl-3-(4-propan-2-ylphenyl)urea | 1-cyclo...) Show SMILES CC(C)c1ccc(NC(=O)NC2CCCCC2)cc1 Show InChI InChI=1S/C16H24N2O/c1-12(2)13-8-10-15(11-9-13)18-16(19)17-14-6-4-3-5-7-14/h8-12,14H,3-7H2,1-2H3,(H2,17,18,19)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...				Bioorg Med Chem 20: 3255-62 (2012) Article DOI: 10.1016/j.bmc.2012.03.058 BindingDB Entry DOI: 10.7270/Q28W3FB2
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50223375 (1-adamantan-1-yl-3-(5-{2-[2-(4-ethylphenoxy)ethoxy...) Show SMILES CCc1ccc(OCCOCCOCCCCCNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:21:22:25.24.29:27,THB:23:24:27:31.22.30,23:22:25.24.29:27,30:22:25:29.28.27,30:28:25:31.23.22,21:22:25:29.28.27| Show InChI InChI=1S/C28H44N2O4/c1-2-22-6-8-26(9-7-22)34-15-14-33-13-12-32-11-5-3-4-10-29-27(31)30-28-19-23-16-24(20-28)18-25(17-23)21-28/h6-9,23-25H,2-5,10-21H2,1H3,(H2,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...				Bioorg Med Chem 20: 3255-62 (2012) Article DOI: 10.1016/j.bmc.2012.03.058 BindingDB Entry DOI: 10.7270/Q28W3FB2
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50383465 (CHEMBL2031800) Show SMILES COc1cc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc(c1)C(F)(F)F |TLB:8:9:12:16.15.14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9| Show InChI InChI=1S/C19H23F3N2O2/c1-26-16-6-14(19(20,21)22)5-15(7-16)23-17(25)24-18-8-11-2-12(9-18)4-13(3-11)10-18/h5-7,11-13H,2-4,8-10H2,1H3,(H2,23,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...				Bioorg Med Chem 20: 3255-62 (2012) Article DOI: 10.1016/j.bmc.2012.03.058 BindingDB Entry DOI: 10.7270/Q28W3FB2
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50217468 (1-adamantan-1-yl-3-[4-(4-fluorophenoxy)phenyl]urea...) Show SMILES Fc1ccc(Oc2ccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)cc2)cc1 |TLB:13:14:17.16.21:19,THB:15:16:19:23.14.22,15:14:17.16.21:19,22:14:17:21.20.19,22:20:17:23.15.14,13:14:17:21.20.19| Show InChI InChI=1S/C23H25FN2O2/c24-18-1-5-20(6-2-18)28-21-7-3-19(4-8-21)25-22(27)26-23-12-15-9-16(13-23)11-17(10-15)14-23/h1-8,15-17H,9-14H2,(H2,25,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...				Bioorg Med Chem 20: 3255-62 (2012) Article DOI: 10.1016/j.bmc.2012.03.058 BindingDB Entry DOI: 10.7270/Q28W3FB2
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50383502 (CHEMBL2031949) Show SMILES O=C(N[C@H]1CC[C@@H](CC1)OCCCN1CCOCC1)NC12CC3CC(CC(C3)C1)C2 |r,wU:6.9,wD:3.2,TLB:19:20:23:27.26.25,THB:21:22:25:29.20.28,21:20:23.22.27:25,28:20:23:27.26.25,28:26:23:29.21.20,(-4.82,-24.68,;-4.82,-26.22,;-3.48,-26.99,;-2.15,-26.22,;-.82,-26.99,;.51,-26.23,;.52,-24.69,;-.81,-23.91,;-2.15,-24.68,;1.86,-23.92,;3.19,-24.7,;4.53,-23.93,;5.86,-24.71,;7.19,-23.94,;8.52,-24.73,;9.85,-23.97,;9.86,-22.43,;8.53,-21.65,;7.19,-22.41,;-6.15,-26.99,;-7.48,-26.22,;-8.49,-27.5,;-9.9,-26.94,;-11.4,-27.36,;-10.2,-26.09,;-10.21,-24.59,;-8.86,-24.12,;-9.9,-25.35,;-7.47,-24.69,;-8.88,-26.57,)| Show InChI InChI=1S/C24H41N3O3/c28-23(26-24-15-18-12-19(16-24)14-20(13-18)17-24)25-21-2-4-22(5-3-21)30-9-1-6-27-7-10-29-11-8-27/h18-22H,1-17H2,(H2,25,26,28)/t18?,19?,20?,21-,22-,24?	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...				Bioorg Med Chem 20: 3255-62 (2012) Article DOI: 10.1016/j.bmc.2012.03.058 BindingDB Entry DOI: 10.7270/Q28W3FB2
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50383487 (CHEMBL2031934) Show SMILES FC(F)(F)c1ccc(O[C@@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)nc1 |r,wD:12.15,9.8,TLB:18:19:22:26.25.24,THB:20:21:24:28.19.27,20:19:22.21.26:24,27:19:22:26.25.24,27:25:22:28.20.19,(46.32,-12.58,;46.32,-11.04,;47.66,-10.28,;47.65,-11.81,;44.99,-10.27,;43.65,-11.04,;42.32,-10.26,;42.33,-8.72,;41,-7.95,;39.67,-8.71,;39.66,-10.25,;38.33,-11.01,;36.99,-10.24,;36.99,-8.7,;38.33,-7.94,;35.66,-11.01,;34.33,-10.24,;34.33,-8.7,;32.99,-11.01,;31.67,-10.25,;30.65,-11.52,;29.25,-10.97,;27.75,-11.39,;28.94,-10.11,;28.93,-8.62,;30.28,-8.15,;29.24,-9.38,;31.68,-8.72,;30.27,-10.59,;43.66,-7.96,;44.99,-8.72,)| Show InChI InChI=1S/C23H30F3N3O2/c24-23(25,26)17-1-6-20(27-13-17)31-19-4-2-18(3-5-19)28-21(30)29-22-10-14-7-15(11-22)9-16(8-14)12-22/h1,6,13-16,18-19H,2-5,7-12H2,(H2,28,29,30)/t14?,15?,16?,18-,19+,22?	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...				Bioorg Med Chem 20: 3255-62 (2012) Article DOI: 10.1016/j.bmc.2012.03.058 BindingDB Entry DOI: 10.7270/Q28W3FB2
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50383505 (CHEMBL2031932 | US8815951, 501) Show SMILES CCCCCCc1ccc(NC(=O)NC2CCCCC2)cc1 Show InChI InChI=1S/C19H30N2O/c1-2-3-4-6-9-16-12-14-18(15-13-16)21-19(22)20-17-10-7-5-8-11-17/h12-15,17H,2-11H2,1H3,(H2,20,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...				Bioorg Med Chem 20: 3255-62 (2012) Article DOI: 10.1016/j.bmc.2012.03.058 BindingDB Entry DOI: 10.7270/Q28W3FB2
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50223398 (1-Adamantan-1-yl-3-{4-[2-(2-ethoxy-ethoxy)-ethoxy]...) Show SMILES CCOCCOCCOc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:16:17:20:24.23.22,THB:25:17:20:24.23.22,25:23:20:26.18.17,18:19:22:26.17.25,18:17:20.19.24:22| Show InChI InChI=1S/C23H34N2O4/c1-2-27-7-8-28-9-10-29-21-5-3-20(4-6-21)24-22(26)25-23-14-17-11-18(15-23)13-19(12-17)16-23/h3-6,17-19H,2,7-16H2,1H3,(H2,24,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...				Bioorg Med Chem 20: 3255-62 (2012) Article DOI: 10.1016/j.bmc.2012.03.058 BindingDB Entry DOI: 10.7270/Q28W3FB2
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50267210 (3-[4-(3-Adamantan-1-yl-ureido)-phenyl]-propionic a...) Show SMILES COC(=O)CCc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:13:14:17:21.20.19,THB:15:16:19:23.14.22,15:14:17.16.21:19,22:14:17:21.20.19,22:20:17:23.15.14| Show InChI InChI=1S/C21H28N2O3/c1-26-19(24)7-4-14-2-5-18(6-3-14)22-20(25)23-21-11-15-8-16(12-21)10-17(9-15)13-21/h2-3,5-6,15-17H,4,7-13H2,1H3,(H2,22,23,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase 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
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...				Bioorg Med Chem 20: 3255-62 (2012) Article DOI: 10.1016/j.bmc.2012.03.058 BindingDB Entry DOI: 10.7270/Q28W3FB2
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50383516 (CHEMBL2032043) Show SMILES O=C(NCCCCCOCCN1CCOCC1)NC12CC3CC(CC(C3)C1)C2 |TLB:17:18:21:25.24.23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18| Show InChI InChI=1S/C22H39N3O3/c26-21(24-22-15-18-12-19(16-22)14-20(13-18)17-22)23-4-2-1-3-8-27-9-5-25-6-10-28-11-7-25/h18-20H,1-17H2,(H2,23,24,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...				Bioorg Med Chem 20: 3255-62 (2012) Article DOI: 10.1016/j.bmc.2012.03.058 BindingDB Entry DOI: 10.7270/Q28W3FB2
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50383464 (CHEMBL2031799) Show SMILES FC(F)(F)c1cccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1 |TLB:12:13:16:20.19.18,THB:14:15:18:22.13.21,14:13:16.15.20:18,21:13:16:20.19.18,21:19:16:22.14.13| Show InChI InChI=1S/C18H21F3N2O/c19-18(20,21)14-2-1-3-15(7-14)22-16(24)23-17-8-11-4-12(9-17)6-13(5-11)10-17/h1-3,7,11-13H,4-6,8-10H2,(H2,22,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...				Bioorg Med Chem 20: 3255-62 (2012) Article DOI: 10.1016/j.bmc.2012.03.058 BindingDB Entry DOI: 10.7270/Q28W3FB2
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50383518 (CHEMBL2032046) Show SMILES Clc1cc(OCCN2CCOCC2)ccc1NC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:19:20:23:27.26.25,THB:21:22:25:29.20.28,21:20:23.22.27:25,28:20:23:27.26.25,28:26:23:29.21.20| Show InChI InChI=1S/C23H32ClN3O3/c24-20-12-19(30-8-5-27-3-6-29-7-4-27)1-2-21(20)25-22(28)26-23-13-16-9-17(14-23)11-18(10-16)15-23/h1-2,12,16-18H,3-11,13-15H2,(H2,25,26,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...				Bioorg Med Chem 20: 3255-62 (2012) Article DOI: 10.1016/j.bmc.2012.03.058 BindingDB Entry DOI: 10.7270/Q28W3FB2
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50383511 (CHEMBL2031795) Show SMILES COC(=O)c1cccc(O[C@@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)c1 |r,wD:13.16,10.9,TLB:19:20:23:27.26.25,THB:21:22:25:29.20.28,21:20:23.22.27:25,28:20:23:27.26.25,28:26:23:29.21.20,(6.71,-4.95,;6.71,-3.41,;5.38,-2.64,;5.38,-1.1,;4.04,-3.41,;4.04,-4.96,;2.7,-5.72,;1.37,-4.95,;1.38,-3.41,;.05,-2.63,;-1.28,-3.4,;-1.29,-4.94,;-2.62,-5.7,;-3.96,-4.93,;-3.96,-3.39,;-2.62,-2.62,;-5.29,-5.7,;-6.62,-4.93,;-6.62,-3.39,;-7.96,-5.7,;-9.28,-4.93,;-10.3,-6.21,;-11.71,-5.65,;-13.21,-6.07,;-12.01,-4.8,;-12.02,-3.31,;-10.67,-2.83,;-11.72,-4.06,;-9.27,-3.41,;-10.68,-5.28,;2.71,-2.64,)| Show InChI InChI=1S/C25H34N2O4/c1-30-23(28)19-3-2-4-22(12-19)31-21-7-5-20(6-8-21)26-24(29)27-25-13-16-9-17(14-25)11-18(10-16)15-25/h2-4,12,16-18,20-21H,5-11,13-15H2,1H3,(H2,26,27,29)/t16?,17?,18?,20-,21+,25?	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...				Bioorg Med Chem 20: 3255-62 (2012) Article DOI: 10.1016/j.bmc.2012.03.058 BindingDB Entry DOI: 10.7270/Q28W3FB2
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50383463 (CHEMBL2031798) Show SMILES FC(F)Oc1cccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1 |TLB:12:13:16:20.19.18,THB:14:15:18:22.13.21,14:13:16.15.20:18,21:13:16:20.19.18,21:19:16:22.14.13| Show InChI InChI=1S/C18H22F2N2O2/c19-16(20)24-15-3-1-2-14(7-15)21-17(23)22-18-8-11-4-12(9-18)6-13(5-11)10-18/h1-3,7,11-13,16H,4-6,8-10H2,(H2,21,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...				Bioorg Med Chem 20: 3255-62 (2012) Article DOI: 10.1016/j.bmc.2012.03.058 BindingDB Entry DOI: 10.7270/Q28W3FB2
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50383480 (CHEMBL2031928 | US8815951, 179) Show SMILES Clc1cccc(NC(=O)NCC2CCCCC2)c1 Show InChI InChI=1S/C14H19ClN2O/c15-12-7-4-8-13(9-12)17-14(18)16-10-11-5-2-1-3-6-11/h4,7-9,11H,1-3,5-6,10H2,(H2,16,17,18)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...				Bioorg Med Chem 20: 3255-62 (2012) Article DOI: 10.1016/j.bmc.2012.03.058 BindingDB Entry DOI: 10.7270/Q28W3FB2
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50217479 (CHEMBL242256 | trans-1-adamantan-1-yl-3-(4-methoxy...) Show SMILES CO[C@H]1CC[C@@H](CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |wU:2.1,wD:5.8,TLB:11:12:15.14.19:17,THB:13:14:17:21.12.20,13:12:15.14.19:17,20:12:15:19.18.17,20:18:15:21.13.12,11:12:15:19.18.17,(16.68,-2.51,;15.14,-2.57,;14.42,-3.93,;15.24,-5.23,;14.52,-6.59,;12.97,-6.64,;12.16,-5.35,;12.88,-3.98,;12.26,-8.01,;10.72,-8.07,;9.9,-6.77,;10,-9.43,;8.46,-9.49,;7.45,-10.77,;6.04,-10.21,;4.55,-10.63,;5.74,-9.35,;5.73,-7.86,;7.08,-7.39,;6.04,-8.62,;8.48,-7.96,;7.07,-9.84,)| Show InChI InChI=1S/C18H30N2O2/c1-22-16-4-2-15(3-5-16)19-17(21)20-18-9-12-6-13(10-18)8-14(7-12)11-18/h12-16H,2-11H2,1H3,(H2,19,20,21)/t12?,13?,14?,15-,16-,18?	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...				Bioorg Med Chem 20: 3255-62 (2012) Article DOI: 10.1016/j.bmc.2012.03.058 BindingDB Entry DOI: 10.7270/Q28W3FB2
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50383474 (CHEMBL2031817) Show SMILES O=C(Nc1cccc(c1)C(=O)c1ccccc1)NC12CC3CC(CC(C3)C1)C2 |TLB:17:18:21:25.24.23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18| Show InChI InChI=1S/C24H26N2O2/c27-22(19-5-2-1-3-6-19)20-7-4-8-21(12-20)25-23(28)26-24-13-16-9-17(14-24)11-18(10-16)15-24/h1-8,12,16-18H,9-11,13-15H2,(H2,25,26,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...				Bioorg Med Chem 20: 3255-62 (2012) Article DOI: 10.1016/j.bmc.2012.03.058 BindingDB Entry DOI: 10.7270/Q28W3FB2
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...				Bioorg Med Chem 20: 3255-62 (2012) Article DOI: 10.1016/j.bmc.2012.03.058 BindingDB Entry DOI: 10.7270/Q28W3FB2
					More data for this Ligand-Target Pair

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