Compile Data Set for Download or QSAR

Found 493 hits with Last Name = 'tsai' and Initial = 'hj'   

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
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50135653 (2,4,6,8,10,12-hexa(2-chloro phenylmethyl)-2,4,6,8,...) Show SMILES Clc1ccccc1CNC1C2N(Cc3ccccc3Cl)C3C(N(Cc4ccccc4Cl)C4(CC4N2Cc2ccccc2Cl)N3Cc2ccccc2Cl)N1Cc1ccccc1Cl |TLB:35:34:11:52.21.9,32:31:11:52.21.9,44:43:11:52.21.9,53:52:11:31.43.33.34,THB:8:9:11:31.43.33.34,22:31:11:52.21.9,22:21:11:31.43.33.34,32:33:11:52.21.9,44:43:22.21:11.33.34.10| Show InChI InChI=1S/C49H44Cl6N6/c50-38-19-7-1-13-32(38)26-56-45-46-57(27-33-14-2-8-20-39(33)51)44-25-49(44)60(30-36-17-5-11-23-42(36)54)47(58(45)28-34-15-3-9-21-40(34)52)48(59(46)29-35-16-4-10-22-41(35)53)61(49)31-37-18-6-12-24-43(37)55/h1-24,44-48,56H,25-31H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Chung-Hsing University Curated by ChEMBL					Assay Description Inhibitory activity of the compound against Butyrylcholinesterase				Bioorg Med Chem Lett 13: 2887-90 (2003) BindingDB Entry DOI: 10.7270/Q29C6WT0
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50192958 (CHEMBL385894 | N-[6-(3-adamantyl-ureido)-hexanoyl]...) Show SMILES OC(=O)[C@H](CC1C=NC2C=CC=CC12)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |c:6,9,11,TLB:36:37:40.39.44:42,THB:38:39:42:46.37.45,38:37:40.39.44:42,45:37:40:44.43.42,45:43:40:46.38.37,36:37:40:44.43.42| Show InChI InChI=1S/C37H49N5O5/c43-33(13-5-2-8-14-38-36(47)42-37-20-25-15-26(21-37)17-27(16-25)22-37)40-31(18-24-9-3-1-4-10-24)34(44)41-32(35(45)46)19-28-23-39-30-12-7-6-11-29(28)30/h1,3-4,6-7,9-12,23,25-32H,2,5,8,13-22H2,(H,40,43)(H,41,44)(H,45,46)(H2,38,42,47)/t25?,26?,27?,28?,29?,30?,31-,32-,37?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble Epoxide hydrolase				Bioorg Med Chem Lett 16: 5439-44 (2006) Article DOI: 10.1016/j.bmcl.2006.07.073 BindingDB Entry DOI: 10.7270/Q2183643
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50135653 (2,4,6,8,10,12-hexa(2-chloro phenylmethyl)-2,4,6,8,...) Show SMILES Clc1ccccc1CNC1C2N(Cc3ccccc3Cl)C3C(N(Cc4ccccc4Cl)C4(CC4N2Cc2ccccc2Cl)N3Cc2ccccc2Cl)N1Cc1ccccc1Cl |TLB:35:34:11:52.21.9,32:31:11:52.21.9,44:43:11:52.21.9,53:52:11:31.43.33.34,THB:8:9:11:31.43.33.34,22:31:11:52.21.9,22:21:11:31.43.33.34,32:33:11:52.21.9,44:43:22.21:11.33.34.10| Show InChI InChI=1S/C49H44Cl6N6/c50-38-19-7-1-13-32(38)26-56-45-46-57(27-33-14-2-8-20-39(33)51)44-25-49(44)60(30-36-17-5-11-23-42(36)54)47(58(45)28-34-15-3-9-21-40(34)52)48(59(46)29-35-16-4-10-22-41(35)53)61(49)31-37-18-6-12-24-43(37)55/h1-24,44-48,56H,25-31H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Chung-Hsing University Curated by ChEMBL					Assay Description Inhibitory activity of the compound against acetylcholinesterase				Bioorg Med Chem Lett 13: 2887-90 (2003) BindingDB Entry DOI: 10.7270/Q29C6WT0
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50135654 (2,4,6,8,10,12-hexa(3,5-dimethoxyphenylmethyl)-2,4,...) Show SMILES COc1cc(CNC2C3N(Cc4cc(OC)cc(OC)c4)C4C(N(Cc5cc(OC)cc(OC)c5)C5(CC5N3Cc3cc(OC)cc(OC)c3)N4Cc3cc(OC)cc(OC)c3)N2Cc2cc(OC)cc(OC)c2)cc(OC)c1 |TLB:39:38:9:62.22.7,63:62:9:35.50.37.38,36:35:9:62.22.7,51:50:9:62.22.7,THB:23:35:9:62.22.7,23:22:9:35.50.37.38,36:37:9:62.22.7,6:7:9:35.50.37.38,51:50:23.22:37.9.8.38| Show InChI InChI=1S/C61H74N6O12/c1-68-44-13-38(14-45(25-44)69-2)32-62-57-58-63(33-39-15-46(70-3)26-47(16-39)71-4)56-31-61(56)66(36-42-21-52(76-9)29-53(22-42)77-10)59(64(57)34-40-17-48(72-5)27-49(18-40)73-6)60(65(58)35-41-19-50(74-7)28-51(20-41)75-8)67(61)37-43-23-54(78-11)30-55(24-43)79-12/h13-30,56-60,62H,31-37H2,1-12H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Chung-Hsing University Curated by ChEMBL					Assay Description Inhibitory activity of the compound against Butyrylcholinesterase				Bioorg Med Chem Lett 13: 2887-90 (2003) BindingDB Entry DOI: 10.7270/Q29C6WT0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50135654 (2,4,6,8,10,12-hexa(3,5-dimethoxyphenylmethyl)-2,4,...) Show SMILES COc1cc(CNC2C3N(Cc4cc(OC)cc(OC)c4)C4C(N(Cc5cc(OC)cc(OC)c5)C5(CC5N3Cc3cc(OC)cc(OC)c3)N4Cc3cc(OC)cc(OC)c3)N2Cc2cc(OC)cc(OC)c2)cc(OC)c1 |TLB:39:38:9:62.22.7,63:62:9:35.50.37.38,36:35:9:62.22.7,51:50:9:62.22.7,THB:23:35:9:62.22.7,23:22:9:35.50.37.38,36:37:9:62.22.7,6:7:9:35.50.37.38,51:50:23.22:37.9.8.38| Show InChI InChI=1S/C61H74N6O12/c1-68-44-13-38(14-45(25-44)69-2)32-62-57-58-63(33-39-15-46(70-3)26-47(16-39)71-4)56-31-61(56)66(36-42-21-52(76-9)29-53(22-42)77-10)59(64(57)34-40-17-48(72-5)27-49(18-40)73-6)60(65(58)35-41-19-50(74-7)28-51(20-41)75-8)67(61)37-43-23-54(78-11)30-55(24-43)79-12/h13-30,56-60,62H,31-37H2,1-12H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Chung-Hsing University Curated by ChEMBL					Assay Description Inhibitory activity of the compound against acetylcholinesterase				Bioorg Med Chem Lett 13: 2887-90 (2003) BindingDB Entry DOI: 10.7270/Q29C6WT0
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50135652 (2,6,8N,9,11,12-hexabenzo[d][1,3]dioxol-5-ylmethyl-...) Show SMILES C(NC1C2N(Cc3ccc4OCOc4c3)C3C(N(Cc4ccc5OCOc5c4)C4(CC4N2Cc2ccc4OCOc4c2)N3Cc2ccc3OCOc3c2)N1Cc1ccc2OCOc2c1)c1ccc2OCOc2c1 |TLB:32:31:4:53.16.2,54:53:4:28.42.30.31,29:28:4:53.16.2,43:42:4:53.16.2,THB:17:28:4:53.16.2,17:16:4:28.42.30.31,29:30:4:53.16.2,1:2:4:28.42.30.31,43:42:17.16:30.4.3.31| Show InChI InChI=1S/C55H50N6O12/c1-7-38-44(68-26-62-38)13-32(1)20-56-51-52-57(21-33-2-8-39-45(14-33)69-27-63-39)50-19-55(50)60(24-36-5-11-42-48(17-36)72-30-66-42)53(58(51)22-34-3-9-40-46(15-34)70-28-64-40)54(59(52)23-35-4-10-41-47(16-35)71-29-65-41)61(55)25-37-6-12-43-49(18-37)73-31-67-43/h1-18,50-54,56H,19-31H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Chung-Hsing University Curated by ChEMBL					Assay Description Inhibitory activity of the compound against Butyrylcholinesterase				Bioorg Med Chem Lett 13: 2887-90 (2003) BindingDB Entry DOI: 10.7270/Q29C6WT0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50135652 (2,6,8N,9,11,12-hexabenzo[d][1,3]dioxol-5-ylmethyl-...) Show SMILES C(NC1C2N(Cc3ccc4OCOc4c3)C3C(N(Cc4ccc5OCOc5c4)C4(CC4N2Cc2ccc4OCOc4c2)N3Cc2ccc3OCOc3c2)N1Cc1ccc2OCOc2c1)c1ccc2OCOc2c1 |TLB:32:31:4:53.16.2,54:53:4:28.42.30.31,29:28:4:53.16.2,43:42:4:53.16.2,THB:17:28:4:53.16.2,17:16:4:28.42.30.31,29:30:4:53.16.2,1:2:4:28.42.30.31,43:42:17.16:30.4.3.31| Show InChI InChI=1S/C55H50N6O12/c1-7-38-44(68-26-62-38)13-32(1)20-56-51-52-57(21-33-2-8-39-45(14-33)69-27-63-39)50-19-55(50)60(24-36-5-11-42-48(17-36)72-30-66-42)53(58(51)22-34-3-9-40-46(15-34)70-28-64-40)54(59(52)23-35-4-10-41-47(16-35)71-29-65-41)61(55)25-37-6-12-43-49(18-37)73-31-67-43/h1-18,50-54,56H,19-31H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Chung-Hsing University Curated by ChEMBL					Assay Description Inhibitory activity of the compound against acetylcholinesterase				Bioorg Med Chem Lett 13: 2887-90 (2003) BindingDB Entry DOI: 10.7270/Q29C6WT0
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50135655 (2,4,6,8,10,12-Hexabenzyl-2,4,6,8,10,12-hexaazatetr...) Show SMILES C(NC1C2N(Cc3ccccc3)C3C(N(Cc4ccccc4)C4(CC4N2Cc2ccccc2)N3Cc2ccccc2)N1Cc1ccccc1)c1ccccc1 |TLB:26:25:4:41.13.2,42:41:4:22.33.24.25,23:22:4:41.13.2,34:33:4:41.13.2,THB:14:22:4:41.13.2,14:13:4:22.33.24.25,23:24:4:41.13.2,1:2:4:22.33.24.25,34:33:14.13:24.4.3.25| Show InChI InChI=1S/C49H50N6/c1-7-19-38(20-8-1)32-50-45-46-51(33-39-21-9-2-10-22-39)44-31-49(44)54(36-42-27-15-5-16-28-42)47(52(45)34-40-23-11-3-12-24-40)48(53(46)35-41-25-13-4-14-26-41)55(49)37-43-29-17-6-18-30-43/h1-30,44-48,50H,31-37H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Chung-Hsing University Curated by ChEMBL					Assay Description Inhibitory activity of the compound against Butyrylcholinesterase				Bioorg Med Chem Lett 13: 2887-90 (2003) BindingDB Entry DOI: 10.7270/Q29C6WT0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50135655 (2,4,6,8,10,12-Hexabenzyl-2,4,6,8,10,12-hexaazatetr...) Show SMILES C(NC1C2N(Cc3ccccc3)C3C(N(Cc4ccccc4)C4(CC4N2Cc2ccccc2)N3Cc2ccccc2)N1Cc1ccccc1)c1ccccc1 |TLB:26:25:4:41.13.2,42:41:4:22.33.24.25,23:22:4:41.13.2,34:33:4:41.13.2,THB:14:22:4:41.13.2,14:13:4:22.33.24.25,23:24:4:41.13.2,1:2:4:22.33.24.25,34:33:14.13:24.4.3.25| Show InChI InChI=1S/C49H50N6/c1-7-19-38(20-8-1)32-50-45-46-51(33-39-21-9-2-10-22-39)44-31-49(44)54(36-42-27-15-5-16-28-42)47(52(45)34-40-23-11-3-12-24-40)48(53(46)35-41-25-13-4-14-26-41)55(49)37-43-29-17-6-18-30-43/h1-30,44-48,50H,31-37H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Chung-Hsing University Curated by ChEMBL					Assay Description Inhibitory activity of the compound against acetylcholinesterase				Bioorg Med Chem Lett 13: 2887-90 (2003) BindingDB Entry DOI: 10.7270/Q29C6WT0
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50521626 (CHEMBL4448433) Show SMILES CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3cc(CC)on3)cc2)ncn1 Show InChI InChI=1S/C25H29N9O2S/c1-3-19-13-22(32-36-19)30-24(35)29-18-7-5-17(6-8-18)20-15-26-25(37-20)31-21-14-23(28-16-27-21)34-11-9-33(4-2)10-12-34/h5-8,13-16H,3-4,9-12H2,1-2H3,(H,26,27,28,31)(H2,29,30,32,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0200	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of human c-KIT A loop exon 17 D820Y single mutant using poly (Glu,Tyr) 4:1 as substrate in presence of 33P-gamma-ATP by hotspot kinase ass...				J Med Chem 62: 3940-3957 (2019) Article DOI: 10.1021/acs.jmedchem.8b01845 BindingDB Entry DOI: 10.7270/Q2TB1B92
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50519725 (CHEMBL4513768) Show SMILES Cl.CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccncc2)nc(C)n1 Show InChI InChI=1S/C19H23N7S/c1-3-25-8-10-26(11-9-25)18-12-17(22-14(2)23-18)24-19-21-13-16(27-19)15-4-6-20-7-5-15/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,22,23,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of wild type FLT3 (unknown origin) expressed in HEK293T cells assessed as decrease in FLT3 phosphorylation at 0.1 to 1000 nM after 1 hr by...				J Med Chem 62: 11135-11150 (2019) Article DOI: 10.1021/acs.jmedchem.9b01229 BindingDB Entry DOI: 10.7270/Q2BV7M1W
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50519725 (CHEMBL4513768) Show SMILES Cl.CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccncc2)nc(C)n1 Show InChI InChI=1S/C19H23N7S/c1-3-25-8-10-26(11-9-25)18-12-17(22-14(2)23-18)24-19-21-13-16(27-19)15-4-6-20-7-5-15/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,22,23,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of wild type FLT3 D835Y mutant (unknown origin) expressed in HEK293T cells assessed as decrease in FLT3 D835Y phosphorylation at 0.1 to 10...				J Med Chem 62: 11135-11150 (2019) Article DOI: 10.1021/acs.jmedchem.9b01229 BindingDB Entry DOI: 10.7270/Q2BV7M1W
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50519725 (CHEMBL4513768) Show SMILES Cl.CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccncc2)nc(C)n1 Show InChI InChI=1S/C19H23N7S/c1-3-25-8-10-26(11-9-25)18-12-17(22-14(2)23-18)24-19-21-13-16(27-19)15-4-6-20-7-5-15/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,22,23,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of wild type FLT3 ITD mutant (unknown origin) expressed in HEK293T cells assessed as decrease in FLT3 ITD phosphorylation at 0.1 to 1000 n...				J Med Chem 62: 11135-11150 (2019) Article DOI: 10.1021/acs.jmedchem.9b01229 BindingDB Entry DOI: 10.7270/Q2BV7M1W
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50521626 (CHEMBL4448433) Show SMILES CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3cc(CC)on3)cc2)ncn1 Show InChI InChI=1S/C25H29N9O2S/c1-3-19-13-22(32-36-19)30-24(35)29-18-7-5-17(6-8-18)20-15-26-25(37-20)31-21-14-23(28-16-27-21)34-11-9-33(4-2)10-12-34/h5-8,13-16H,3-4,9-12H2,1-2H3,(H,26,27,28,31)(H2,29,30,32,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of human c-KIT A loop exon 17 Y823D single mutant using poly (Glu,Tyr) 4:1 as substrate in presence of 33P-gamma-ATP by hotspot kinase ass...				J Med Chem 62: 3940-3957 (2019) Article DOI: 10.1021/acs.jmedchem.8b01845 BindingDB Entry DOI: 10.7270/Q2TB1B92
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50521626 (CHEMBL4448433) Show SMILES CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3cc(CC)on3)cc2)ncn1 Show InChI InChI=1S/C25H29N9O2S/c1-3-19-13-22(32-36-19)30-24(35)29-18-7-5-17(6-8-18)20-15-26-25(37-20)31-21-14-23(28-16-27-21)34-11-9-33(4-2)10-12-34/h5-8,13-16H,3-4,9-12H2,1-2H3,(H,26,27,28,31)(H2,29,30,32,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of human c-KIT A loop exon 11/17 V560G/N822K double mutant using poly (Glu,Tyr) 4:1 as substrate in presence of 33P-gamma-ATP by hotspot k...				J Med Chem 62: 3940-3957 (2019) Article DOI: 10.1021/acs.jmedchem.8b01845 BindingDB Entry DOI: 10.7270/Q2TB1B92
					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	0.550	n/a	n/a	n/a	n/a	n/a	n/a
University of California-Davis Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase				J Med Chem 50: 3825-40 (2007) Article DOI: 10.1021/jm070270t BindingDB Entry DOI: 10.7270/Q2TQ62BW
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50217444 (CHEMBL244002 | cis-4-{4-[3-(4-trifluoromethoxyphen...) Show SMILES OC(=O)c1cccc(O[C@@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)c1 |wU:12.15,9.8,(29.99,.67,;30.71,2.03,;32.25,2.08,;29.89,3.33,;30.61,4.69,;29.79,6,;28.25,5.94,;27.54,4.58,;26,4.53,;25.28,3.17,;23.74,3.11,;23.01,1.74,;23.83,.45,;25.38,.5,;26.09,1.86,;23.12,-.91,;21.58,-.97,;20.75,.33,;20.86,-2.34,;19.32,-2.4,;18.51,-1.09,;16.97,-1.15,;16.25,-2.52,;14.71,-2.58,;13.89,-1.28,;13.11,.06,;12.57,-2.08,;15.21,-.49,;17.08,-3.83,;18.62,-3.76,;28.35,3.28,)| Show InChI InChI=1S/C21H21F3N2O5/c22-21(23,24)31-17-10-6-15(7-11-17)26-20(29)25-14-4-8-16(9-5-14)30-18-3-1-2-13(12-18)19(27)28/h1-3,6-7,10-12,14,16H,4-5,8-9H2,(H,27,28)(H2,25,26,29)/t14-,16+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
University of California-Davis Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase				J Med Chem 50: 3825-40 (2007) Article DOI: 10.1021/jm070270t BindingDB Entry DOI: 10.7270/Q2TQ62BW
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50217457 (CHEMBL397694 | trans-1-adamantan-1-yl-3-[4-(4-nitr...) Show SMILES [O-][N+](=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,(18.29,-12.77,;17.47,-11.46,;18.19,-10.1,;15.92,-11.52,;15.2,-12.88,;13.66,-12.94,;12.85,-11.63,;11.31,-11.69,;10.59,-13.05,;11.4,-14.35,;10.69,-15.71,;9.14,-15.76,;8.32,-14.47,;9.05,-13.1,;8.43,-17.13,;6.89,-17.19,;6.06,-15.89,;6.17,-18.55,;4.63,-18.61,;3.62,-19.89,;2.21,-19.33,;.71,-19.75,;1.91,-18.47,;1.9,-16.98,;3.24,-16.51,;2.2,-17.74,;4.64,-17.09,;3.23,-18.96,;13.56,-10.27,;15.1,-10.21,)| Show InChI InChI=1S/C23H31N3O4/c27-22(25-23-12-15-9-16(13-23)11-17(10-15)14-23)24-18-1-5-20(6-2-18)30-21-7-3-19(4-8-21)26(28)29/h3-4,7-8,15-18,20H,1-2,5-6,9-14H2,(H2,24,25,27)/t15?,16?,17?,18-,20-,23?	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.640	n/a	n/a	n/a	n/a	n/a	n/a
University of California-Davis Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase				J Med Chem 50: 3825-40 (2007) Article DOI: 10.1021/jm070270t BindingDB Entry DOI: 10.7270/Q2TQ62BW
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50521626 (CHEMBL4448433) Show SMILES CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3cc(CC)on3)cc2)ncn1 Show InChI InChI=1S/C25H29N9O2S/c1-3-19-13-22(32-36-19)30-24(35)29-18-7-5-17(6-8-18)20-15-26-25(37-20)31-21-14-23(28-16-27-21)34-11-9-33(4-2)10-12-34/h5-8,13-16H,3-4,9-12H2,1-2H3,(H,26,27,28,31)(H2,29,30,32,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.670	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of human c-KIT A loop exon 17 D816H single mutant using poly (Glu,Tyr) 4:1 as substrate in presence of 33P-gamma-ATP by hotspot kinase ass...				J Med Chem 62: 3940-3957 (2019) Article DOI: 10.1021/acs.jmedchem.8b01845 BindingDB Entry DOI: 10.7270/Q2TB1B92
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50196664 (12-(3-adamantan-1-yl-ureido)-dodecanoic acid sec-b...) Show SMILES CCC(C)OC(=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/c1-3-21(2)32-25(30)13-11-9-7-5-4-6-8-10-12-14-28-26(31)29-27-18-22-15-23(19-27)17-24(16-22)20-27/h21-24H,3-20H2,1-2H3,(H2,28,29,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Department of Entomology and University of California Davis Cancer Center Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase by fluorescent based assay				Bioorg Med Chem 15: 312-23 (2006) Article DOI: 10.1016/j.bmc.2006.09.057 BindingDB Entry DOI: 10.7270/Q26D5SNJ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50217469 (CHEMBL244193 | cis-1-adamantan-1-yl-3-[4-(4-nitrop...) Show SMILES [O-][N+](=O)c1ccc(O[C@@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |wU:11.14,8.7,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,(18.33,-12.89,;17.51,-11.58,;18.23,-10.22,;15.97,-11.64,;15.24,-13,;13.71,-13.06,;12.89,-11.75,;11.35,-11.81,;10.63,-13.17,;9.09,-13.22,;8.37,-14.59,;9.18,-15.88,;10.73,-15.83,;11.45,-14.47,;8.47,-17.25,;6.93,-17.31,;6.11,-16.01,;6.21,-18.67,;4.67,-18.73,;3.66,-20.01,;2.25,-19.45,;.76,-19.87,;1.95,-18.59,;1.94,-17.1,;3.29,-16.63,;2.25,-17.86,;4.69,-17.21,;3.28,-19.08,;13.61,-10.39,;15.14,-10.33,)| Show InChI InChI=1S/C23H31N3O4/c27-22(25-23-12-15-9-16(13-23)11-17(10-15)14-23)24-18-1-5-20(6-2-18)30-21-7-3-19(4-8-21)26(28)29/h3-4,7-8,15-18,20H,1-2,5-6,9-14H2,(H2,24,25,27)/t15?,16?,17?,18-,20+,23?	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.720	n/a	n/a	n/a	n/a	n/a	n/a
University of California-Davis Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase				J Med Chem 50: 3825-40 (2007) Article DOI: 10.1021/jm070270t BindingDB Entry DOI: 10.7270/Q2TQ62BW
					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	0.800	n/a	n/a	n/a	n/a	n/a	n/a
University of California-Davis Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase				J Med Chem 50: 3825-40 (2007) Article DOI: 10.1021/jm070270t BindingDB Entry DOI: 10.7270/Q2TQ62BW
					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
Department of Entomology and University of California Davis Cancer Center Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase by fluorescent based assay				Bioorg Med Chem 15: 312-23 (2006) Article DOI: 10.1016/j.bmc.2006.09.057 BindingDB Entry DOI: 10.7270/Q26D5SNJ
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50521626 (CHEMBL4448433) Show SMILES CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3cc(CC)on3)cc2)ncn1 Show InChI InChI=1S/C25H29N9O2S/c1-3-19-13-22(32-36-19)30-24(35)29-18-7-5-17(6-8-18)20-15-26-25(37-20)31-21-14-23(28-16-27-21)34-11-9-33(4-2)10-12-34/h5-8,13-16H,3-4,9-12H2,1-2H3,(H,26,27,28,31)(H2,29,30,32,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.810	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of human c-KIT A loop exon 17 D820E single mutant using poly (Glu,Tyr) 4:1 as substrate in presence of 33P-gamma-ATP by hotspot kinase ass...				J Med Chem 62: 3940-3957 (2019) Article DOI: 10.1021/acs.jmedchem.8b01845 BindingDB Entry DOI: 10.7270/Q2TB1B92
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50217446 (CHEMBL396546 | cis-1-adamantan-1-yl-3-[4-(3,5-difl...) Show SMILES Fc1cc(F)cc(O[C@@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)c1 |wU:11.14,8.7,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,(4.84,-26.81,;4.03,-25.5,;4.75,-24.14,;3.92,-22.83,;4.64,-21.47,;2.39,-22.89,;1.67,-24.25,;.14,-24.31,;-.59,-25.67,;-2.13,-25.72,;-2.85,-27.09,;-2.03,-28.38,;-.49,-28.33,;.23,-26.97,;-2.75,-29.75,;-4.29,-29.81,;-5.11,-28.51,;-5,-31.17,;-6.54,-31.23,;-7.56,-32.51,;-8.96,-31.95,;-10.46,-32.37,;-9.27,-31.09,;-9.27,-29.6,;-7.93,-29.13,;-8.97,-30.36,;-6.53,-29.71,;-7.94,-31.58,;2.49,-25.56,)| Show InChI InChI=1S/C23H30F2N2O2/c24-17-8-18(25)10-21(9-17)29-20-3-1-19(2-4-20)26-22(28)27-23-11-14-5-15(12-23)7-16(6-14)13-23/h8-10,14-16,19-20H,1-7,11-13H2,(H2,26,27,28)/t14?,15?,16?,19-,20+,23?	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.820	n/a	n/a	n/a	n/a	n/a	n/a
University of California-Davis Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase				J Med Chem 50: 3825-40 (2007) Article DOI: 10.1021/jm070270t BindingDB Entry DOI: 10.7270/Q2TQ62BW
					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	0.870	n/a	n/a	n/a	n/a	n/a	n/a
University of California-Davis Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase				J Med Chem 50: 3825-40 (2007) Article DOI: 10.1021/jm070270t BindingDB Entry DOI: 10.7270/Q2TQ62BW
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50521626 (CHEMBL4448433) Show SMILES CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3cc(CC)on3)cc2)ncn1 Show InChI InChI=1S/C25H29N9O2S/c1-3-19-13-22(32-36-19)30-24(35)29-18-7-5-17(6-8-18)20-15-26-25(37-20)31-21-14-23(28-16-27-21)34-11-9-33(4-2)10-12-34/h5-8,13-16H,3-4,9-12H2,1-2H3,(H,26,27,28,31)(H2,29,30,32,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.890	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of human c-KIT A loop exon 18 A829P single mutant using poly (Glu,Tyr) 4:1 as substrate in presence of 33P-gamma-ATP by hotspot kinase ass...				J Med Chem 62: 3940-3957 (2019) Article DOI: 10.1021/acs.jmedchem.8b01845 BindingDB Entry DOI: 10.7270/Q2TB1B92
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50217439 (CHEMBL244405 | cis-4-[4-(3-adamantan-1-ylureido)cy...) Show SMILES OC(=O)c1ccc(O[C@@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |wU:11.14,8.7,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,(19.67,-26.54,;18.85,-25.24,;19.57,-23.88,;17.31,-25.3,;16.59,-26.66,;15.05,-26.71,;14.24,-25.41,;12.7,-25.46,;11.98,-26.82,;10.43,-26.88,;9.71,-28.25,;10.53,-29.54,;12.07,-29.49,;12.79,-28.13,;9.81,-30.9,;8.27,-30.96,;7.45,-29.66,;7.56,-32.33,;6.02,-32.39,;5.01,-33.67,;3.6,-33.1,;2.1,-33.52,;3.3,-32.25,;3.29,-30.76,;4.63,-30.29,;3.59,-31.52,;6.03,-30.86,;4.62,-32.74,;14.95,-24.05,;16.48,-23.99,)| 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	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.890	n/a	n/a	n/a	n/a	n/a	n/a
University of California-Davis Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase				J Med Chem 50: 3825-40 (2007) Article DOI: 10.1021/jm070270t BindingDB Entry DOI: 10.7270/Q2TQ62BW
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50194498 (1-[4-(4-fluoro-phenoxy)-cyclohexyl]-3-(4-trifluoro...) Show SMILES Fc1ccc(O[C@@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |wD:6.5,9.12,(8.62,-5.78,;7.29,-5,;5.95,-5.77,;4.62,-5,;4.63,-3.45,;3.29,-2.68,;1.96,-3.45,;1.96,-4.99,;.63,-5.75,;-.7,-4.99,;-.7,-3.45,;.63,-2.67,;-2.03,-5.76,;-3.37,-4.99,;-3.37,-3.45,;-4.7,-5.76,;-6.03,-4.99,;-6.03,-3.45,;-7.36,-2.68,;-8.7,-3.46,;-10.03,-2.69,;-10.04,-1.15,;-10.05,.4,;-8.5,-1.14,;-11.58,-1.16,;-8.69,-5,;-7.36,-5.76,;5.95,-2.69,;7.29,-3.46,)| 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)/t14-,17+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
University of California-Davis Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase				J Med Chem 50: 3825-40 (2007) Article DOI: 10.1021/jm070270t BindingDB Entry DOI: 10.7270/Q2TQ62BW
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50217477 (CHEMBL243793 | trans-4-{4-[3-(4-trifluoromethoxyph...) Show SMILES OC(=O)c1cccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)c1 |wU:9.8,wD:12.15,(7.44,1.03,;8.16,2.39,;9.7,2.45,;7.34,3.7,;8.06,5.06,;7.23,6.37,;5.7,6.31,;4.99,4.95,;3.45,4.9,;2.73,3.53,;3.54,2.23,;2.83,.87,;1.28,.82,;.46,2.11,;1.18,3.48,;.56,-.55,;-.98,-.61,;-1.8,.7,;-1.69,-1.97,;-3.23,-2.03,;-4.05,-.73,;-5.58,-.79,;-6.3,-2.15,;-7.84,-2.21,;-8.66,-.91,;-9.45,.43,;-9.98,-1.71,;-7.34,-.13,;-5.47,-3.46,;-3.94,-3.39,;5.8,3.64,)| Show InChI InChI=1S/C21H21F3N2O5/c22-21(23,24)31-17-10-6-15(7-11-17)26-20(29)25-14-4-8-16(9-5-14)30-18-3-1-2-13(12-18)19(27)28/h1-3,6-7,10-12,14,16H,4-5,8-9H2,(H,27,28)(H2,25,26,29)/t14-,16-	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
University of California-Davis Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase				J Med Chem 50: 3825-40 (2007) Article DOI: 10.1021/jm070270t BindingDB Entry DOI: 10.7270/Q2TQ62BW
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50217461 (CHEMBL242898 | cis-1-adamantan-1-yl-3-(4-benzyloxy...) Show SMILES O=C(N[C@H]1CC[C@H](CC1)OCc1ccccc1)NC12CC3CC(CC(C3)C1)C2 |wD:3.2,6.9,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,(-5.79,-36.39,;-4.96,-37.7,;-3.42,-37.63,;-2.71,-36.27,;-1.16,-36.22,;-.45,-34.86,;-1.26,-33.55,;-2.8,-33.61,;-3.53,-34.98,;-.54,-32.19,;1,-32.14,;1.72,-30.78,;3.26,-30.73,;3.98,-29.37,;3.17,-28.06,;1.63,-28.12,;.9,-29.48,;-5.68,-39.06,;-7.22,-39.12,;-8.23,-40.4,;-9.64,-39.84,;-11.14,-40.25,;-9.94,-38.98,;-9.95,-37.49,;-8.6,-37.02,;-9.65,-38.25,;-7.21,-37.59,;-8.62,-39.47,)| 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	0.900	n/a	n/a	n/a	n/a	n/a	n/a
University of California-Davis Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase				J Med Chem 50: 3825-40 (2007) Article DOI: 10.1021/jm070270t BindingDB Entry DOI: 10.7270/Q2TQ62BW
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50521626 (CHEMBL4448433) Show SMILES CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3cc(CC)on3)cc2)ncn1 Show InChI InChI=1S/C25H29N9O2S/c1-3-19-13-22(32-36-19)30-24(35)29-18-7-5-17(6-8-18)20-15-26-25(37-20)31-21-14-23(28-16-27-21)34-11-9-33(4-2)10-12-34/h5-8,13-16H,3-4,9-12H2,1-2H3,(H,26,27,28,31)(H2,29,30,32,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.980	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of human c-KIT JM domain exon 11 V560G single mutant using poly (Glu,Tyr) 4:1 as substrate in presence of 33P-gamma-ATP by hotspot kinase ...				J Med Chem 62: 3940-3957 (2019) Article DOI: 10.1021/acs.jmedchem.8b01845 BindingDB Entry DOI: 10.7270/Q2TB1B92
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50217473 (CHEMBL243336 | trans-1-adamantan-1-yl-3-[4-(3,5-di...) Show SMILES Fc1cc(F)cc(O[C@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)c1 |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,(4.8,-26.69,;3.98,-25.38,;4.71,-24.02,;3.88,-22.71,;4.6,-21.35,;2.35,-22.77,;1.63,-24.13,;.09,-24.19,;-.63,-25.55,;.19,-26.85,;-.53,-28.21,;-2.07,-28.26,;-2.89,-26.97,;-2.17,-25.61,;-2.79,-29.63,;-4.33,-29.69,;-5.15,-28.39,;-5.05,-31.05,;-6.59,-31.11,;-7.6,-32.39,;-9.01,-31.83,;-10.5,-32.25,;-9.31,-30.97,;-9.32,-29.48,;-7.97,-29.01,;-9.01,-30.24,;-6.57,-29.59,;-7.98,-31.46,;2.45,-25.44,)| Show InChI InChI=1S/C23H30F2N2O2/c24-17-8-18(25)10-21(9-17)29-20-3-1-19(2-4-20)26-22(28)27-23-11-14-5-15(12-23)7-16(6-14)13-23/h8-10,14-16,19-20H,1-7,11-13H2,(H2,26,27,28)/t14?,15?,16?,19-,20-,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	n/a	n/a	n/a	n/a	n/a	n/a
University of California-Davis Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase				J Med Chem 50: 3825-40 (2007) Article DOI: 10.1021/jm070270t BindingDB Entry DOI: 10.7270/Q2TQ62BW
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50196655 (12-(3-adamantan-1-yl-ureido)-dodecanoic acid allyl...) Show SMILES C=CCOC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:20:21:24:28.27.26,THB:22:23:26:30.21.29,22:21:24.23.28:26,29:21:24:28.27.26,29:27:24:30.22.21| Show InChI InChI=1S/C26H44N2O3/c1-2-14-31-24(29)12-10-8-6-4-3-5-7-9-11-13-27-25(30)28-26-18-21-15-22(19-26)17-23(16-21)20-26/h2,21-23H,1,3-20H2,(H2,27,28,30)	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
Department of Entomology and University of California Davis Cancer Center Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase by fluorescent based assay				Bioorg Med Chem 15: 312-23 (2006) Article DOI: 10.1016/j.bmc.2006.09.057 BindingDB Entry DOI: 10.7270/Q26D5SNJ
					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	1	n/a	n/a	n/a	n/a	n/a	n/a
University of California-Davis Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase				J Med Chem 50: 3825-40 (2007) Article DOI: 10.1021/jm070270t BindingDB Entry DOI: 10.7270/Q2TQ62BW
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50196654 (12-(3-adamantan-1-yl-ureido)-dodecanoic acid propy...) Show SMILES CCCOC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:20:21:24:28.27.26,THB:22:23:26:30.21.29,22:21:24.23.28:26,29:21:24:28.27.26,29:27:24:30.22.21| Show InChI InChI=1S/C26H46N2O3/c1-2-14-31-24(29)12-10-8-6-4-3-5-7-9-11-13-27-25(30)28-26-18-21-15-22(19-26)17-23(16-21)20-26/h21-23H,2-20H2,1H3,(H2,27,28,30)	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
Department of Entomology and University of California Davis Cancer Center Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase by fluorescent based assay				Bioorg Med Chem 15: 312-23 (2006) Article DOI: 10.1016/j.bmc.2006.09.057 BindingDB Entry DOI: 10.7270/Q26D5SNJ
					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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
University of California-Davis Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase				J Med Chem 50: 3825-40 (2007) Article DOI: 10.1021/jm070270t BindingDB Entry DOI: 10.7270/Q2TQ62BW
					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
Department of Entomology and University of California Davis Cancer Center Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase by fluorescent based assay				J Med Chem 50: 5217-26 (2007) Article DOI: 10.1021/jm070705c BindingDB Entry DOI: 10.7270/Q24T6J3C
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50191859 (1-adamantan-1-yl-3-[1-(2,2,2-trifluoro-acetyl)-pip...) Show SMILES FC(F)(F)C(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |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| Show InChI InChI=1S/C18H26F3N3O2/c19-18(20,21)15(25)24-3-1-14(2-4-24)22-16(26)23-17-8-11-5-12(9-17)7-13(6-11)10-17/h11-14H,1-10H2,(H2,22,23,26)	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
University of California Curated by ChEMBL					Assay Description Inhibition of soluble epoxide hydroxylase by kinetic fluorescent assay				Bioorg Med Chem Lett 16: 5212-6 (2006) Article DOI: 10.1016/j.bmcl.2006.07.009 BindingDB Entry DOI: 10.7270/Q29023DS
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50196649 (12-(3-adamantan-1-yl-ureido)-dodecanoic acid isopr...) Show SMILES CC(C)OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:20:21:24:28.27.26,THB:22:23:26:30.21.29,22:21:24.23.28:26,29:21:24:28.27.26,29:27:24:30.22.21| Show InChI InChI=1S/C26H46N2O3/c1-20(2)31-24(29)12-10-8-6-4-3-5-7-9-11-13-27-25(30)28-26-17-21-14-22(18-26)16-23(15-21)19-26/h20-23H,3-19H2,1-2H3,(H2,27,28,30)	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
Department of Entomology and University of California Davis Cancer Center Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase by fluorescent based assay				Bioorg Med Chem 15: 312-23 (2006) Article DOI: 10.1016/j.bmc.2006.09.057 BindingDB Entry DOI: 10.7270/Q26D5SNJ
					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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Department of Entomology and University of California Davis Cancer Center Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase by fluorescence assay				Bioorg Med Chem Lett 19: 1784-9 (2009) Article DOI: 10.1016/j.bmcl.2009.01.069 BindingDB Entry DOI: 10.7270/Q2ZP461N
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50191898 (3-[4-(3-adamantan-1-yl-ureido)-piperidine-1-carbon...) Show SMILES COC(=O)c1cccc(c1)C(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |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/C25H33N3O4/c1-32-23(30)20-4-2-3-19(12-20)22(29)28-7-5-21(6-8-28)26-24(31)27-25-13-16-9-17(14-25)11-18(10-16)15-25/h2-4,12,16-18,21H,5-11,13-15H2,1H3,(H2,26,27,31)	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
University of California Curated by ChEMBL					Assay Description Inhibition of soluble epoxide hydroxylase by kinetic fluorescent assay				Bioorg Med Chem Lett 16: 5212-6 (2006) Article DOI: 10.1016/j.bmcl.2006.07.009 BindingDB Entry DOI: 10.7270/Q29023DS
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50191882 (4-[4-(3-adamantan-1-yl-ureido)-piperidine-1-carbon...) Show SMILES COC(=O)c1ccc(cc1)C(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |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/C25H33N3O4/c1-32-23(30)20-4-2-19(3-5-20)22(29)28-8-6-21(7-9-28)26-24(31)27-25-13-16-10-17(14-25)12-18(11-16)15-25/h2-5,16-18,21H,6-15H2,1H3,(H2,26,27,31)	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
University of California Curated by ChEMBL					Assay Description Inhibition of soluble epoxide hydroxylase by kinetic fluorescent assay				Bioorg Med Chem Lett 16: 5212-6 (2006) Article DOI: 10.1016/j.bmcl.2006.07.009 BindingDB Entry DOI: 10.7270/Q29023DS
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50223384 (1-adamantan-1-yl-3-(4-pentyloxycylclohexyl)urea | ...) Show SMILES CCCCCOC1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |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,(7.36,-39.04,;5.82,-39.1,;5.1,-40.46,;3.56,-40.52,;2.84,-41.88,;1.3,-41.93,;.48,-40.63,;-1.06,-40.68,;-1.87,-39.38,;-1.15,-38.03,;.39,-37.95,;1.21,-39.26,;-1.97,-36.73,;-3.51,-36.79,;-4.33,-35.49,;-4.22,-38.15,;-5.76,-38.21,;-6.78,-39.49,;-8.19,-38.93,;-9.68,-39.35,;-8.49,-38.07,;-8.5,-36.58,;-7.15,-36.11,;-8.19,-37.34,;-5.75,-36.69,;-7.16,-38.56,)| 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)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Department of Entomology and University of California Davis Cancer Center Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase by fluorescent based assay				J Med Chem 50: 5217-26 (2007) Article DOI: 10.1021/jm070705c BindingDB Entry DOI: 10.7270/Q24T6J3C
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50191867 (1-adamantan-1-yl-3-[1-(pyridine-2-carbonyl)-piperi...) Show SMILES O=C(NC1CCN(CC1)C(=O)c1ccccn1)NC12CC3CC(CC(C3)C1)C2 |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| Show InChI InChI=1S/C22H30N4O2/c27-20(19-3-1-2-6-23-19)26-7-4-18(5-8-26)24-21(28)25-22-12-15-9-16(13-22)11-17(10-15)14-22/h1-3,6,15-18H,4-5,7-14H2,(H2,24,25,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of soluble epoxide hydroxylase by kinetic fluorescent assay				Bioorg Med Chem Lett 16: 5212-6 (2006) Article DOI: 10.1016/j.bmcl.2006.07.009 BindingDB Entry DOI: 10.7270/Q29023DS
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50196660 (12-(3-adamantan-1-yl-ureido)-dodecanoic acid isobu...) Show SMILES CC(C)COC(=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/c1-21(2)20-32-25(30)12-10-8-6-4-3-5-7-9-11-13-28-26(31)29-27-17-22-14-23(18-27)16-24(15-22)19-27/h21-24H,3-20H2,1-2H3,(H2,28,29,31)	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
Department of Entomology and University of California Davis Cancer Center Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase by fluorescent based assay				Bioorg Med Chem 15: 312-23 (2006) Article DOI: 10.1016/j.bmc.2006.09.057 BindingDB Entry DOI: 10.7270/Q26D5SNJ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50223389 (1-Adamantan-1-yl-3-[4-(3-morpholin-4-yl-propoxy)-p...) Show SMILES O=C(Nc1ccc(OCCCN2CCOCC2)cc1)NC12CC3CC(CC(C3)C1)C2 |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| Show InChI InChI=1S/C24H35N3O3/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/h2-5,18-20H,1,6-17H2,(H2,25,26,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Department of Entomology and University of California Davis Cancer Center Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase by fluorescent based assay				J Med Chem 50: 5217-26 (2007) Article DOI: 10.1021/jm070705c BindingDB Entry DOI: 10.7270/Q24T6J3C
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50196658 (12-(3-adamantan-1-yl-ureido)-dodecanoic acid tert-...) Show SMILES CC(C)(C)OC(=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/c1-26(2,3)32-24(30)13-11-9-7-5-4-6-8-10-12-14-28-25(31)29-27-18-21-15-22(19-27)17-23(16-21)20-27/h21-23H,4-20H2,1-3H3,(H2,28,29,31)	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
Department of Entomology and University of California Davis Cancer Center Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase by fluorescent based assay				Bioorg Med Chem 15: 312-23 (2006) Article DOI: 10.1016/j.bmc.2006.09.057 BindingDB Entry DOI: 10.7270/Q26D5SNJ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50217456 (CHEMBL243337 | cis-1-adamantan-1-yl-3-[4-(4-bromop...) Show SMILES Brc1ccc(O[C@@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |wU:9.12,6.5,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,(34.37,3.49,;32.83,3.43,;32.1,2.07,;30.57,2.01,;29.75,3.32,;28.21,3.26,;27.49,1.9,;25.95,1.84,;25.23,.48,;26.04,-.82,;27.59,-.76,;28.31,.59,;25.33,-2.18,;23.79,-2.24,;22.97,-.94,;23.07,-3.6,;21.53,-3.67,;20.52,-4.94,;19.11,-4.38,;17.61,-4.8,;18.81,-3.52,;18.8,-2.04,;20.15,-1.56,;19.11,-2.79,;21.55,-2.14,;20.13,-4.01,;30.47,4.68,;32,4.74,)| 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	1.30	n/a	n/a	n/a	n/a	n/a	n/a
University of California-Davis Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase				J Med Chem 50: 3825-40 (2007) Article DOI: 10.1021/jm070270t BindingDB Entry DOI: 10.7270/Q2TQ62BW
					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	1.30	n/a	n/a	n/a	n/a	n/a	n/a
University of California-Davis Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase				J Med Chem 50: 3825-40 (2007) Article DOI: 10.1021/jm070270t BindingDB Entry DOI: 10.7270/Q2TQ62BW
					More data for this Ligand-Target Pair				3D Structure (crystal)

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