Compile Data Set for Download or QSAR

Found 98 hits Enz. Inhib. hit(s) with all data for entry = 50002175   

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
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50454599 (CHEMBL4216368) Show SMILES Oc1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:6.5,wD:9.12,(74.54,-31.49,;73.21,-30.71,;71.87,-31.48,;70.54,-30.71,;70.55,-29.17,;69.22,-28.4,;67.88,-29.16,;67.88,-30.7,;66.55,-31.47,;65.22,-30.69,;65.21,-29.16,;66.55,-28.39,;63.89,-31.47,;62.55,-30.7,;62.55,-29.16,;61.22,-31.47,;59.89,-30.7,;58.55,-31.47,;57.22,-30.7,;57.22,-29.16,;55.88,-28.39,;55.88,-26.85,;55.88,-25.45,;57.13,-25.83,;54.63,-25.83,;58.55,-28.39,;59.88,-29.15,;71.88,-28.4,;73.21,-29.17,)| Show InChI InChI=1S/C20H21F3N2O4/c21-20(22,23)29-18-9-3-14(4-10-18)25-19(27)24-13-1-7-16(8-2-13)28-17-11-5-15(26)6-12-17/h3-6,9-13,16,26H,1-2,7-8H2,(H2,24,25,27)/t13-,16-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Davis Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant soluble epoxide hydrolase expressed in baculovirus-infected High Five cells S9 fraction using varying CMN...				Bioorg Med Chem Lett 28: 762-768 (2018) Article DOI: 10.1016/j.bmcl.2018.01.003 BindingDB Entry DOI: 10.7270/Q2PV6NZ4
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50454598 (CHEMBL4215208) Show SMILES FC(F)(F)Oc1ccc(NC(=O)N[C@H]2CC[C@@H](CC2)Oc2ccc(cc2)C(=O)OCc2ccccc2)cc1 |r,wU:16.19,wD:13.12,(30.34,-3.34,;30.34,-4.74,;31.59,-3.72,;29.09,-3.72,;30.34,-6.28,;31.68,-7.05,;31.67,-8.59,;33.01,-9.36,;34.35,-8.59,;35.68,-9.36,;37.01,-8.59,;37.01,-7.05,;38.35,-9.35,;39.68,-8.58,;41.01,-9.36,;42.34,-8.59,;42.34,-7.05,;41.01,-6.28,;39.67,-7.05,;43.68,-6.28,;45.01,-7.06,;45,-8.6,;46.33,-9.37,;47.67,-8.6,;47.67,-7.05,;46.34,-6.29,;49,-9.37,;49,-10.91,;50.34,-8.6,;51.67,-9.38,;53,-8.61,;54.33,-9.38,;55.67,-8.61,;55.67,-7.07,;54.33,-6.3,;53,-7.07,;34.34,-7.04,;33.01,-6.28,)| Show InChI InChI=1S/C28H27F3N2O5/c29-28(30,31)38-25-16-10-22(11-17-25)33-27(35)32-21-8-14-24(15-9-21)37-23-12-6-20(7-13-23)26(34)36-18-19-4-2-1-3-5-19/h1-7,10-13,16-17,21,24H,8-9,14-15,18H2,(H2,32,33,35)/t21-,24-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Davis Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant soluble epoxide hydrolase expressed in baculovirus-infected High Five cells S9 fraction using varying CMN...				Bioorg Med Chem Lett 28: 762-768 (2018) Article DOI: 10.1016/j.bmcl.2018.01.003 BindingDB Entry DOI: 10.7270/Q2PV6NZ4
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM158481 (US9029401, 1728 (t-TUCB)) Show SMILES OC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:8.7,wD:11.14,(10,,;8.67,-.77,;8.67,-2.31,;7.34,,;6,-.77,;4.67,,;4.67,1.54,;3.33,2.31,;2,1.54,;2,,;.67,-.77,;-.67,,;-.67,1.54,;.67,2.31,;-2,-.77,;-3.33,,;-3.33,1.54,;-4.67,-.77,;-6,,;-6,1.54,;-7.34,2.31,;-8.67,1.54,;-10,2.31,;-10,3.85,;-10,5.39,;-8.67,4.62,;-11.34,4.62,;-8.67,,;-7.34,-.77,;6,2.31,;7.34,1.54,)| Show InChI InChI=1S/C21H21F3N2O5/c22-21(23,24)31-18-11-5-15(6-12-18)26-20(29)25-14-3-9-17(10-4-14)30-16-7-1-13(2-8-16)19(27)28/h1-2,5-8,11-12,14,17H,3-4,9-10H2,(H,27,28)(H2,25,26,29)/t14-,17-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	156	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Davis Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant soluble epoxide hydrolase expressed in baculovirus-infected High Five cells S9 fraction using varying CMN...				Bioorg Med Chem Lett 28: 762-768 (2018) Article DOI: 10.1016/j.bmcl.2018.01.003 BindingDB Entry DOI: 10.7270/Q2PV6NZ4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM158481 (US9029401, 1728 (t-TUCB)) Show SMILES OC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:8.7,wD:11.14,(10,,;8.67,-.77,;8.67,-2.31,;7.34,,;6,-.77,;4.67,,;4.67,1.54,;3.33,2.31,;2,1.54,;2,,;.67,-.77,;-.67,,;-.67,1.54,;.67,2.31,;-2,-.77,;-3.33,,;-3.33,1.54,;-4.67,-.77,;-6,,;-6,1.54,;-7.34,2.31,;-8.67,1.54,;-10,2.31,;-10,3.85,;-10,5.39,;-8.67,4.62,;-11.34,4.62,;-8.67,,;-7.34,-.77,;6,2.31,;7.34,1.54,)| Show InChI InChI=1S/C21H21F3N2O5/c22-21(23,24)31-18-11-5-15(6-12-18)26-20(29)25-14-3-9-17(10-4-14)30-16-7-1-13(2-8-16)19(27)28/h1-2,5-8,11-12,14,17H,3-4,9-10H2,(H,27,28)(H2,25,26,29)/t14-,17-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
University of California Davis Curated by ChEMBL					Assay Description Inhibition of soluble epoxide hydrolase (unknown origin)				Bioorg Med Chem Lett 28: 762-768 (2018) Article DOI: 10.1016/j.bmcl.2018.01.003 BindingDB Entry DOI: 10.7270/Q2PV6NZ4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bifunctional epoxide hydrolase 2 (Mus musculus (Mouse))	BDBM50454599 (CHEMBL4216368) Show SMILES Oc1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:6.5,wD:9.12,(74.54,-31.49,;73.21,-30.71,;71.87,-31.48,;70.54,-30.71,;70.55,-29.17,;69.22,-28.4,;67.88,-29.16,;67.88,-30.7,;66.55,-31.47,;65.22,-30.69,;65.21,-29.16,;66.55,-28.39,;63.89,-31.47,;62.55,-30.7,;62.55,-29.16,;61.22,-31.47,;59.89,-30.7,;58.55,-31.47,;57.22,-30.7,;57.22,-29.16,;55.88,-28.39,;55.88,-26.85,;55.88,-25.45,;57.13,-25.83,;54.63,-25.83,;58.55,-28.39,;59.88,-29.15,;71.88,-28.4,;73.21,-29.17,)| Show InChI InChI=1S/C20H21F3N2O4/c21-20(22,23)29-18-9-3-14(4-10-18)25-19(27)24-13-1-7-16(8-2-13)28-17-11-5-15(26)6-12-17/h3-6,9-13,16,26H,1-2,7-8H2,(H2,24,25,27)/t13-,16-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
University of California Davis Curated by ChEMBL					Assay Description Inhibition of soluble epoxide in mouse brain microsomes using CMNPC substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 762-768 (2018) Article DOI: 10.1016/j.bmcl.2018.01.003 BindingDB Entry DOI: 10.7270/Q2PV6NZ4
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50454600 (CHEMBL4204424) Show SMILES FC(F)(F)c1ccc(Oc2cccc(CC3CCN(CC3)C(=O)Nc3cccnc3)c2)cc1 Show InChI InChI=1S/C25H24F3N3O2/c26-25(27,28)20-6-8-22(9-7-20)33-23-5-1-3-19(16-23)15-18-10-13-31(14-11-18)24(32)30-21-4-2-12-29-17-21/h1-9,12,16-18H,10-11,13-15H2,(H,30,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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
University of California Davis Curated by ChEMBL					Assay Description Inhibition of human FAAH expressed in baculovirus-infected High Five cells S9 fraction using OMP substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 762-768 (2018) Article DOI: 10.1016/j.bmcl.2018.01.003 BindingDB Entry DOI: 10.7270/Q2PV6NZ4
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM158481 (US9029401, 1728 (t-TUCB)) Show SMILES OC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:8.7,wD:11.14,(10,,;8.67,-.77,;8.67,-2.31,;7.34,,;6,-.77,;4.67,,;4.67,1.54,;3.33,2.31,;2,1.54,;2,,;.67,-.77,;-.67,,;-.67,1.54,;.67,2.31,;-2,-.77,;-3.33,,;-3.33,1.54,;-4.67,-.77,;-6,,;-6,1.54,;-7.34,2.31,;-8.67,1.54,;-10,2.31,;-10,3.85,;-10,5.39,;-8.67,4.62,;-11.34,4.62,;-8.67,,;-7.34,-.77,;6,2.31,;7.34,1.54,)| Show InChI InChI=1S/C21H21F3N2O5/c22-21(23,24)31-18-11-5-15(6-12-18)26-20(29)25-14-3-9-17(10-4-14)30-16-7-1-13(2-8-16)19(27)28/h1-2,5-8,11-12,14,17H,3-4,9-10H2,(H,27,28)(H2,25,26,29)/t14-,17-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB 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 expressed in baculovirus-infected High Five cells S9 fraction using CMNPC substrate by fluo...				Bioorg Med Chem Lett 28: 762-768 (2018) Article DOI: 10.1016/j.bmcl.2018.01.003 BindingDB Entry DOI: 10.7270/Q2PV6NZ4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bifunctional epoxide hydrolase 2 (Rattus norvegicus)	BDBM50454599 (CHEMBL4216368) Show SMILES Oc1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:6.5,wD:9.12,(74.54,-31.49,;73.21,-30.71,;71.87,-31.48,;70.54,-30.71,;70.55,-29.17,;69.22,-28.4,;67.88,-29.16,;67.88,-30.7,;66.55,-31.47,;65.22,-30.69,;65.21,-29.16,;66.55,-28.39,;63.89,-31.47,;62.55,-30.7,;62.55,-29.16,;61.22,-31.47,;59.89,-30.7,;58.55,-31.47,;57.22,-30.7,;57.22,-29.16,;55.88,-28.39,;55.88,-26.85,;55.88,-25.45,;57.13,-25.83,;54.63,-25.83,;58.55,-28.39,;59.88,-29.15,;71.88,-28.4,;73.21,-29.17,)| Show InChI InChI=1S/C20H21F3N2O4/c21-20(22,23)29-18-9-3-14(4-10-18)25-19(27)24-13-1-7-16(8-2-13)28-17-11-5-15(26)6-12-17/h3-6,9-13,16,26H,1-2,7-8H2,(H2,24,25,27)/t13-,16-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	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 soluble epoxide in rat brain microsomes using CMNPC substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 762-768 (2018) Article DOI: 10.1016/j.bmcl.2018.01.003 BindingDB Entry DOI: 10.7270/Q2PV6NZ4
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Rattus norvegicus)	BDBM50454598 (CHEMBL4215208) Show SMILES FC(F)(F)Oc1ccc(NC(=O)N[C@H]2CC[C@@H](CC2)Oc2ccc(cc2)C(=O)OCc2ccccc2)cc1 |r,wU:16.19,wD:13.12,(30.34,-3.34,;30.34,-4.74,;31.59,-3.72,;29.09,-3.72,;30.34,-6.28,;31.68,-7.05,;31.67,-8.59,;33.01,-9.36,;34.35,-8.59,;35.68,-9.36,;37.01,-8.59,;37.01,-7.05,;38.35,-9.35,;39.68,-8.58,;41.01,-9.36,;42.34,-8.59,;42.34,-7.05,;41.01,-6.28,;39.67,-7.05,;43.68,-6.28,;45.01,-7.06,;45,-8.6,;46.33,-9.37,;47.67,-8.6,;47.67,-7.05,;46.34,-6.29,;49,-9.37,;49,-10.91,;50.34,-8.6,;51.67,-9.38,;53,-8.61,;54.33,-9.38,;55.67,-8.61,;55.67,-7.07,;54.33,-6.3,;53,-7.07,;34.34,-7.04,;33.01,-6.28,)| Show InChI InChI=1S/C28H27F3N2O5/c29-28(30,31)38-25-16-10-22(11-17-25)33-27(35)32-21-8-14-24(15-9-21)37-23-12-6-20(7-13-23)26(34)36-18-19-4-2-1-3-5-19/h1-7,10-13,16-17,21,24H,8-9,14-15,18H2,(H2,32,33,35)/t21-,24-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	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
University of California Davis Curated by ChEMBL					Assay Description Inhibition of soluble epoxide in rat brain microsomes using CMNPC substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 762-768 (2018) Article DOI: 10.1016/j.bmcl.2018.01.003 BindingDB Entry DOI: 10.7270/Q2PV6NZ4
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50454635 (CHEMBL4211037) Show SMILES OC(=O)CNC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:12.11,wD:15.18,(55.81,-41.23,;54.47,-40.46,;54.47,-38.92,;53.14,-41.23,;51.81,-40.46,;50.47,-41.23,;50.47,-42.77,;49.14,-40.46,;47.8,-41.23,;46.47,-40.45,;46.48,-38.91,;45.15,-38.14,;43.81,-38.91,;43.81,-40.45,;42.48,-41.21,;41.15,-40.44,;41.14,-38.91,;42.48,-38.14,;39.82,-41.21,;38.48,-40.44,;38.48,-38.9,;37.15,-41.21,;35.81,-40.45,;34.48,-41.22,;33.14,-40.45,;33.15,-38.9,;31.81,-38.13,;31.81,-36.59,;31.81,-35.19,;33.06,-35.58,;30.56,-35.58,;34.47,-38.13,;35.81,-38.9,;47.81,-38.15,;49.14,-38.91,)| Show InChI InChI=1S/C23H24F3N3O6/c24-23(25,26)35-19-11-5-16(6-12-19)29-22(33)28-15-3-9-18(10-4-15)34-17-7-1-14(2-8-17)21(32)27-13-20(30)31/h1-2,5-8,11-12,15,18H,3-4,9-10,13H2,(H,27,32)(H,30,31)(H2,28,29,33)/t15-,18-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	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 expressed in baculovirus-infected High Five cells S9 fraction using CMNPC substrate by fluo...				Bioorg Med Chem Lett 28: 762-768 (2018) Article DOI: 10.1016/j.bmcl.2018.01.003 BindingDB Entry DOI: 10.7270/Q2PV6NZ4
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50436434 (CHEMBL2397138) Show SMILES CNC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:9.8,wD:12.15,(42.37,-47.49,;41.03,-46.72,;41.04,-45.18,;42.37,-44.41,;39.7,-44.41,;38.36,-45.17,;37.03,-44.4,;37.04,-42.86,;35.71,-42.08,;34.37,-42.85,;34.37,-44.39,;33.04,-45.15,;31.71,-44.39,;31.71,-42.85,;33.04,-42.07,;30.38,-45.16,;29.04,-44.39,;29.04,-42.85,;27.71,-45.16,;26.38,-44.4,;26.38,-42.85,;25.05,-42.09,;23.71,-42.86,;22.38,-42.09,;22.37,-40.55,;21.04,-39.79,;23.7,-39.78,;22.36,-39.01,;23.72,-44.41,;25.05,-45.17,;38.37,-42.09,;39.7,-42.86,)| Show InChI InChI=1S/C22H24F3N3O4/c1-26-20(29)14-2-8-17(9-3-14)31-18-10-4-15(5-11-18)27-21(30)28-16-6-12-19(13-7-16)32-22(23,24)25/h2-3,6-9,12-13,15,18H,4-5,10-11H2,1H3,(H,26,29)(H2,27,28,30)/t15-,18-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2	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 expressed in baculovirus-infected High Five cells S9 fraction using CMNPC substrate by fluo...				Bioorg Med Chem Lett 28: 762-768 (2018) Article DOI: 10.1016/j.bmcl.2018.01.003 BindingDB Entry DOI: 10.7270/Q2PV6NZ4
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM158480 (US9029401, 1686) Show SMILES OC(=O)c1ccc(O[C@@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wD:11.14,8.7,(10,,;8.67,-.77,;8.67,-2.31,;7.34,,;6,-.77,;4.67,,;4.67,1.54,;3.33,2.31,;2,1.54,;2,,;.67,-.77,;-.67,,;-.67,1.54,;.67,2.31,;-2,-.77,;-3.33,,;-3.33,1.54,;-4.67,-.77,;-6,,;-6,1.54,;-7.34,2.31,;-8.67,1.54,;-10,2.31,;-10,3.85,;-10,5.39,;-8.67,4.62,;-11.34,4.62,;-8.67,,;-7.34,-.77,;6,2.31,;7.34,1.54,)| Show InChI InChI=1S/C21H21F3N2O5/c22-21(23,24)31-18-11-5-15(6-12-18)26-20(29)25-14-3-9-17(10-4-14)30-16-7-1-13(2-8-16)19(27)28/h1-2,5-8,11-12,14,17H,3-4,9-10H2,(H,27,28)(H2,25,26,29)/t14-,17+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
University of California Davis Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase expressed in baculovirus-infected High Five cells S9 fraction using CMNPC substrate by fluo...				Bioorg Med Chem Lett 28: 762-768 (2018) Article DOI: 10.1016/j.bmcl.2018.01.003 BindingDB Entry DOI: 10.7270/Q2PV6NZ4
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50454633 (CHEMBL4206149) Show SMILES OCCNC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:11.10,wD:14.17,(55.98,-29.23,;54.65,-28.46,;53.32,-29.23,;51.98,-28.46,;50.65,-29.23,;50.65,-30.77,;49.32,-28.46,;47.98,-29.23,;46.65,-28.45,;46.66,-26.91,;45.33,-26.14,;43.99,-26.91,;43.99,-28.45,;42.66,-29.21,;41.33,-28.44,;41.32,-26.9,;42.66,-26.14,;40,-29.21,;38.66,-28.44,;38.66,-26.9,;37.33,-29.21,;35.99,-28.45,;34.66,-29.22,;33.32,-28.45,;33.32,-26.9,;31.99,-26.13,;31.99,-24.59,;31.99,-23.19,;33.24,-23.58,;30.74,-23.58,;34.65,-26.13,;35.99,-26.9,;47.98,-26.14,;49.32,-26.91,)| Show InChI InChI=1S/C23H26F3N3O5/c24-23(25,26)34-20-11-5-17(6-12-20)29-22(32)28-16-3-9-19(10-4-16)33-18-7-1-15(2-8-18)21(31)27-13-14-30/h1-2,5-8,11-12,16,19,30H,3-4,9-10,13-14H2,(H,27,31)(H2,28,29,32)/t16-,19-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	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 expressed in baculovirus-infected High Five cells S9 fraction using CMNPC substrate by fluo...				Bioorg Med Chem Lett 28: 762-768 (2018) Article DOI: 10.1016/j.bmcl.2018.01.003 BindingDB Entry DOI: 10.7270/Q2PV6NZ4
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50454599 (CHEMBL4216368) Show SMILES Oc1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:6.5,wD:9.12,(74.54,-31.49,;73.21,-30.71,;71.87,-31.48,;70.54,-30.71,;70.55,-29.17,;69.22,-28.4,;67.88,-29.16,;67.88,-30.7,;66.55,-31.47,;65.22,-30.69,;65.21,-29.16,;66.55,-28.39,;63.89,-31.47,;62.55,-30.7,;62.55,-29.16,;61.22,-31.47,;59.89,-30.7,;58.55,-31.47,;57.22,-30.7,;57.22,-29.16,;55.88,-28.39,;55.88,-26.85,;55.88,-25.45,;57.13,-25.83,;54.63,-25.83,;58.55,-28.39,;59.88,-29.15,;71.88,-28.4,;73.21,-29.17,)| Show InChI InChI=1S/C20H21F3N2O4/c21-20(22,23)29-18-9-3-14(4-10-18)25-19(27)24-13-1-7-16(8-2-13)28-17-11-5-15(26)6-12-17/h3-6,9-13,16,26H,1-2,7-8H2,(H2,24,25,27)/t13-,16-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	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 expressed in baculovirus-infected High Five cells S9 fraction using CMNPC substrate by fluo...				Bioorg Med Chem Lett 28: 762-768 (2018) Article DOI: 10.1016/j.bmcl.2018.01.003 BindingDB Entry DOI: 10.7270/Q2PV6NZ4
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50454625 (CHEMBL4207039) Show SMILES NC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:8.7,wD:11.14,(24.95,-19.24,;23.62,-20.01,;23.61,-21.55,;22.28,-19.24,;20.95,-20.01,;19.62,-19.24,;19.62,-17.7,;18.29,-16.93,;16.96,-17.69,;16.95,-19.23,;15.62,-20,;14.29,-19.22,;14.28,-17.69,;15.62,-16.92,;12.96,-19.99,;11.63,-19.23,;11.62,-17.69,;10.29,-20,;8.96,-19.23,;7.62,-20,;6.29,-19.23,;6.29,-17.69,;4.96,-16.92,;4.96,-15.38,;4.95,-13.98,;6.2,-14.36,;3.71,-14.36,;7.62,-16.92,;8.95,-17.68,;20.95,-16.93,;22.28,-17.69,)| Show InChI InChI=1S/C21H22F3N3O4/c22-21(23,24)31-18-11-5-15(6-12-18)27-20(29)26-14-3-9-17(10-4-14)30-16-7-1-13(2-8-16)19(25)28/h1-2,5-8,11-12,14,17H,3-4,9-10H2,(H2,25,28)(H2,26,27,29)/t14-,17-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	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 expressed in baculovirus-infected High Five cells S9 fraction using CMNPC substrate by fluo...				Bioorg Med Chem Lett 28: 762-768 (2018) Article DOI: 10.1016/j.bmcl.2018.01.003 BindingDB Entry DOI: 10.7270/Q2PV6NZ4
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Mus musculus (Mouse))	BDBM50454598 (CHEMBL4215208) Show SMILES FC(F)(F)Oc1ccc(NC(=O)N[C@H]2CC[C@@H](CC2)Oc2ccc(cc2)C(=O)OCc2ccccc2)cc1 |r,wU:16.19,wD:13.12,(30.34,-3.34,;30.34,-4.74,;31.59,-3.72,;29.09,-3.72,;30.34,-6.28,;31.68,-7.05,;31.67,-8.59,;33.01,-9.36,;34.35,-8.59,;35.68,-9.36,;37.01,-8.59,;37.01,-7.05,;38.35,-9.35,;39.68,-8.58,;41.01,-9.36,;42.34,-8.59,;42.34,-7.05,;41.01,-6.28,;39.67,-7.05,;43.68,-6.28,;45.01,-7.06,;45,-8.6,;46.33,-9.37,;47.67,-8.6,;47.67,-7.05,;46.34,-6.29,;49,-9.37,;49,-10.91,;50.34,-8.6,;51.67,-9.38,;53,-8.61,;54.33,-9.38,;55.67,-8.61,;55.67,-7.07,;54.33,-6.3,;53,-7.07,;34.34,-7.04,;33.01,-6.28,)| Show InChI InChI=1S/C28H27F3N2O5/c29-28(30,31)38-25-16-10-22(11-17-25)33-27(35)32-21-8-14-24(15-9-21)37-23-12-6-20(7-13-23)26(34)36-18-19-4-2-1-3-5-19/h1-7,10-13,16-17,21,24H,8-9,14-15,18H2,(H2,32,33,35)/t21-,24-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
University of California Davis Curated by ChEMBL					Assay Description Inhibition of soluble epoxide in mouse brain microsomes using CMNPC substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 762-768 (2018) Article DOI: 10.1016/j.bmcl.2018.01.003 BindingDB Entry DOI: 10.7270/Q2PV6NZ4
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50454601 (CHEMBL4211405) Show SMILES COc1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:7.6,wD:10.13,(76.11,-41.33,;74.78,-42.09,;73.45,-41.32,;72.11,-42.09,;70.78,-41.32,;70.79,-39.78,;69.45,-39.01,;68.12,-39.77,;68.11,-41.31,;66.78,-42.08,;65.46,-41.3,;65.44,-39.77,;66.78,-39,;64.12,-42.08,;62.79,-41.31,;62.79,-39.77,;61.46,-42.08,;60.12,-41.31,;58.78,-42.08,;57.45,-41.31,;57.45,-39.77,;56.12,-39,;56.12,-37.46,;56.12,-36.06,;57.36,-36.44,;54.87,-36.44,;58.78,-39,;60.12,-39.76,;72.11,-39.01,;73.44,-39.78,)| Show InChI InChI=1S/C21H23F3N2O4/c1-28-16-10-12-18(13-11-16)29-17-6-2-14(3-7-17)25-20(27)26-15-4-8-19(9-5-15)30-21(22,23)24/h4-5,8-14,17H,2-3,6-7H2,1H3,(H2,25,26,27)/t14-,17-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	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 expressed in baculovirus-infected High Five cells S9 fraction using CMNPC substrate by fluo...				Bioorg Med Chem Lett 28: 762-768 (2018) Article DOI: 10.1016/j.bmcl.2018.01.003 BindingDB Entry DOI: 10.7270/Q2PV6NZ4
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50454634 (CHEMBL4203223) Show SMILES OCc1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:7.6,wD:10.13,(76.52,-9.79,;75.18,-10.56,;73.85,-9.79,;72.51,-10.56,;71.18,-9.79,;71.19,-8.25,;69.86,-7.47,;68.52,-8.24,;68.52,-9.78,;67.19,-10.55,;65.86,-9.77,;65.85,-8.24,;67.19,-7.47,;64.53,-10.54,;63.19,-9.78,;63.19,-8.24,;61.86,-10.55,;60.53,-9.78,;59.19,-10.55,;57.85,-9.78,;57.86,-8.24,;56.52,-7.47,;56.52,-5.93,;56.52,-4.53,;57.77,-4.91,;55.27,-4.91,;59.18,-7.47,;60.52,-8.23,;72.52,-7.48,;73.85,-8.24,)| Show InChI InChI=1S/C21H23F3N2O4/c22-21(23,24)30-19-11-5-16(6-12-19)26-20(28)25-15-3-9-18(10-4-15)29-17-7-1-14(13-27)2-8-17/h1-2,5-8,11-12,15,18,27H,3-4,9-10,13H2,(H2,25,26,28)/t15-,18-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	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 expressed in baculovirus-infected High Five cells S9 fraction using CMNPC substrate by fluo...				Bioorg Med Chem Lett 28: 762-768 (2018) Article DOI: 10.1016/j.bmcl.2018.01.003 BindingDB Entry DOI: 10.7270/Q2PV6NZ4
					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	3	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 expressed in baculovirus-infected High Five cells S9 fraction using CMNPC substrate by fluo...				Bioorg Med Chem Lett 28: 762-768 (2018) Article DOI: 10.1016/j.bmcl.2018.01.003 BindingDB Entry DOI: 10.7270/Q2PV6NZ4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50454624 (CHEMBL4209593) Show SMILES COC(=O)CNC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:13.12,wD:16.19,(29.69,-8.45,;28.35,-9.22,;27.02,-8.45,;27.02,-6.91,;25.68,-9.22,;24.35,-8.45,;23.02,-9.22,;23.02,-10.76,;21.68,-8.45,;20.35,-9.21,;19.02,-8.44,;19.03,-6.9,;17.69,-6.13,;16.36,-6.9,;16.35,-8.44,;15.02,-9.2,;13.7,-8.43,;13.68,-6.89,;15.02,-6.12,;12.36,-9.2,;11.03,-8.43,;11.03,-6.89,;9.7,-9.2,;8.36,-8.43,;7.02,-9.21,;5.69,-8.44,;5.69,-6.89,;4.36,-6.12,;4.36,-4.58,;4.36,-3.18,;5.6,-3.56,;3.11,-3.56,;7.02,-6.12,;8.36,-6.88,;20.35,-6.13,;21.68,-6.9,)| Show InChI InChI=1S/C24H26F3N3O6/c1-34-21(31)14-28-22(32)15-2-8-18(9-3-15)35-19-10-4-16(5-11-19)29-23(33)30-17-6-12-20(13-7-17)36-24(25,26)27/h2-3,6-9,12-13,16,19H,4-5,10-11,14H2,1H3,(H,28,32)(H2,29,30,33)/t16-,19-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	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 expressed in baculovirus-infected High Five cells S9 fraction using CMNPC substrate by fluo...				Bioorg Med Chem Lett 28: 762-768 (2018) Article DOI: 10.1016/j.bmcl.2018.01.003 BindingDB Entry DOI: 10.7270/Q2PV6NZ4
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50454598 (CHEMBL4215208) Show SMILES FC(F)(F)Oc1ccc(NC(=O)N[C@H]2CC[C@@H](CC2)Oc2ccc(cc2)C(=O)OCc2ccccc2)cc1 |r,wU:16.19,wD:13.12,(30.34,-3.34,;30.34,-4.74,;31.59,-3.72,;29.09,-3.72,;30.34,-6.28,;31.68,-7.05,;31.67,-8.59,;33.01,-9.36,;34.35,-8.59,;35.68,-9.36,;37.01,-8.59,;37.01,-7.05,;38.35,-9.35,;39.68,-8.58,;41.01,-9.36,;42.34,-8.59,;42.34,-7.05,;41.01,-6.28,;39.67,-7.05,;43.68,-6.28,;45.01,-7.06,;45,-8.6,;46.33,-9.37,;47.67,-8.6,;47.67,-7.05,;46.34,-6.29,;49,-9.37,;49,-10.91,;50.34,-8.6,;51.67,-9.38,;53,-8.61,;54.33,-9.38,;55.67,-8.61,;55.67,-7.07,;54.33,-6.3,;53,-7.07,;34.34,-7.04,;33.01,-6.28,)| Show InChI InChI=1S/C28H27F3N2O5/c29-28(30,31)38-25-16-10-22(11-17-25)33-27(35)32-21-8-14-24(15-9-21)37-23-12-6-20(7-13-23)26(34)36-18-19-4-2-1-3-5-19/h1-7,10-13,16-17,21,24H,8-9,14-15,18H2,(H2,32,33,35)/t21-,24-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	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 expressed in baculovirus-infected High Five cells S9 fraction using CMNPC substrate by fluo...				Bioorg Med Chem Lett 28: 762-768 (2018) Article DOI: 10.1016/j.bmcl.2018.01.003 BindingDB Entry DOI: 10.7270/Q2PV6NZ4
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50454595 (CHEMBL4214874) Show SMILES Cc1nnc(o1)-c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:11.11,wD:14.18,(78.39,-21.64,;76.86,-21.8,;76.09,-23.13,;74.58,-22.81,;74.42,-21.28,;75.83,-20.65,;73.09,-20.51,;71.75,-21.28,;70.42,-20.5,;70.43,-18.97,;69.1,-18.19,;67.76,-18.96,;67.75,-20.5,;66.43,-21.27,;65.1,-20.49,;65.08,-18.96,;66.43,-18.19,;63.76,-21.26,;62.43,-20.49,;62.43,-18.95,;61.1,-21.27,;59.76,-20.5,;58.43,-21.27,;57.09,-20.5,;57.09,-18.95,;55.76,-18.18,;55.76,-16.64,;55.76,-15.24,;57.01,-15.63,;54.51,-15.63,;58.42,-18.18,;59.76,-18.95,;71.75,-18.2,;73.08,-18.96,)| Show InChI InChI=1S/C23H23F3N4O4/c1-14-29-30-21(32-14)15-2-8-18(9-3-15)33-19-10-4-16(5-11-19)27-22(31)28-17-6-12-20(13-7-17)34-23(24,25)26/h2-3,6-9,12-13,16,19H,4-5,10-11H2,1H3,(H2,27,28,31)/t16-,19-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	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 expressed in baculovirus-infected High Five cells S9 fraction using CMNPC substrate by fluo...				Bioorg Med Chem Lett 28: 762-768 (2018) Article DOI: 10.1016/j.bmcl.2018.01.003 BindingDB Entry DOI: 10.7270/Q2PV6NZ4
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50454597 (CHEMBL4211919) Show SMILES CC(=O)Oc1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:9.8,wD:12.15,(25.82,-10.05,;24.48,-9.28,;24.49,-7.74,;23.15,-10.05,;21.82,-9.28,;20.48,-10.05,;19.15,-9.27,;19.16,-7.73,;17.83,-6.96,;16.49,-7.73,;16.48,-9.27,;15.16,-10.03,;13.83,-9.26,;13.82,-7.73,;15.16,-6.96,;12.49,-10.03,;11.16,-9.26,;11.16,-7.72,;9.83,-10.03,;8.49,-9.27,;7.16,-10.04,;5.82,-9.27,;5.82,-7.72,;4.49,-6.95,;4.49,-5.41,;4.49,-4.01,;5.74,-4.4,;3.24,-4.4,;7.15,-6.95,;8.49,-7.72,;20.48,-6.97,;21.81,-7.73,)| Show InChI InChI=1S/C22H23F3N2O5/c1-14(28)30-17-10-12-19(13-11-17)31-18-6-2-15(3-7-18)26-21(29)27-16-4-8-20(9-5-16)32-22(23,24)25/h4-5,8-13,15,18H,2-3,6-7H2,1H3,(H2,26,27,29)/t15-,18-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	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 expressed in baculovirus-infected High Five cells S9 fraction using CMNPC substrate by fluo...				Bioorg Med Chem Lett 28: 762-768 (2018) Article DOI: 10.1016/j.bmcl.2018.01.003 BindingDB Entry DOI: 10.7270/Q2PV6NZ4
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50454626 (CHEMBL4204023) Show SMILES FC(F)(F)Oc1ccc(NC(=O)N[C@H]2CC[C@@H](CC2)Oc2ccc(C=O)cc2)cc1 |r,wU:16.19,wD:13.12,(30.72,-33.27,;30.72,-34.67,;31.96,-33.65,;29.47,-33.65,;30.72,-36.21,;32.05,-36.98,;32.05,-38.52,;33.38,-39.29,;34.72,-38.52,;36.06,-39.29,;37.39,-38.52,;37.39,-36.98,;38.72,-39.28,;40.06,-38.51,;41.38,-39.29,;42.71,-38.52,;42.72,-36.98,;41.38,-36.21,;40.04,-36.98,;44.05,-36.22,;45.39,-36.99,;45.38,-38.53,;46.71,-39.3,;48.04,-38.53,;49.38,-39.3,;49.38,-40.84,;48.04,-36.98,;46.71,-36.22,;34.72,-36.97,;33.38,-36.21,)| Show InChI InChI=1S/C21H21F3N2O4/c22-21(23,24)30-19-11-5-16(6-12-19)26-20(28)25-15-3-9-18(10-4-15)29-17-7-1-14(13-27)2-8-17/h1-2,5-8,11-13,15,18H,3-4,9-10H2,(H2,25,26,28)/t15-,18-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	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 expressed in baculovirus-infected High Five cells S9 fraction using CMNPC substrate by fluo...				Bioorg Med Chem Lett 28: 762-768 (2018) Article DOI: 10.1016/j.bmcl.2018.01.003 BindingDB Entry DOI: 10.7270/Q2PV6NZ4
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50454600 (CHEMBL4204424) Show SMILES FC(F)(F)c1ccc(Oc2cccc(CC3CCN(CC3)C(=O)Nc3cccnc3)c2)cc1 Show InChI InChI=1S/C25H24F3N3O2/c26-25(27,28)20-6-8-22(9-7-20)33-23-5-1-3-19(16-23)15-18-10-13-31(14-11-18)24(32)30-21-4-2-12-29-17-21/h1-9,12,16-18H,10-11,13-15H2,(H,30,32)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
University of California Davis Curated by ChEMBL					Assay Description Inhibition of FAAH in rat brain microsomes using OMP substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 762-768 (2018) Article DOI: 10.1016/j.bmcl.2018.01.003 BindingDB Entry DOI: 10.7270/Q2PV6NZ4
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50454623 (CHEMBL4213817) Show SMILES CC(C)OC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:11.10,wD:14.17,(26.92,-41.02,;25.58,-41.79,;25.58,-43.33,;24.25,-41.01,;22.92,-41.78,;22.91,-43.32,;21.58,-41.01,;20.24,-41.78,;18.91,-41.01,;18.92,-39.47,;17.59,-38.69,;16.26,-39.46,;16.25,-41,;14.92,-41.77,;13.59,-40.99,;13.58,-39.46,;14.92,-38.69,;12.26,-41.76,;10.93,-41,;10.92,-39.46,;9.59,-41.77,;8.26,-41,;6.92,-41.77,;5.59,-41,;5.59,-39.46,;4.26,-38.69,;4.26,-37.15,;4.25,-35.75,;5.5,-36.13,;3.01,-36.13,;6.92,-38.69,;8.25,-39.45,;20.25,-38.7,;21.58,-39.46,)| Show InChI InChI=1S/C24H27F3N2O5/c1-15(2)32-22(30)16-3-9-19(10-4-16)33-20-11-5-17(6-12-20)28-23(31)29-18-7-13-21(14-8-18)34-24(25,26)27/h3-4,7-10,13-15,17,20H,5-6,11-12H2,1-2H3,(H2,28,29,31)/t17-,20-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	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 expressed in baculovirus-infected High Five cells S9 fraction using CMNPC substrate by fluo...				Bioorg Med Chem Lett 28: 762-768 (2018) Article DOI: 10.1016/j.bmcl.2018.01.003 BindingDB Entry DOI: 10.7270/Q2PV6NZ4
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM158500 (US9029401, 2581) Show SMILES FC(F)(F)Oc1ccc(NC(=O)N[C@H]2CC[C@@H](CC2)Oc2ccc(cc2)C#N)cc1 |r,wU:16.19,wD:13.12,(-11.34,1.92,;-10,1.15,;-10,-.39,;-11.34,.38,;-8.67,1.92,;-7.34,1.15,;-6,1.92,;-4.67,1.15,;-4.67,-.39,;-3.33,-1.16,;-2,-.39,;-2,1.15,;-.67,-1.16,;.67,-.39,;2,-1.16,;3.33,-.39,;3.33,1.15,;2,1.92,;.67,1.15,;4.67,1.92,;6,1.15,;6,-.39,;7.34,-1.16,;8.73,-.46,;8.67,1.15,;7.34,1.92,;10.06,-1.24,;11.38,-2.03,;-6,-1.16,;-7.34,-.39,)| Show InChI InChI=1S/C21H20F3N3O3/c22-21(23,24)30-19-11-5-16(6-12-19)27-20(28)26-15-3-9-18(10-4-15)29-17-7-1-14(13-25)2-8-17/h1-2,5-8,11-12,15,18H,3-4,9-10H2,(H2,26,27,28)/t15-,18-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	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 expressed in baculovirus-infected High Five cells S9 fraction using CMNPC substrate by fluo...				Bioorg Med Chem Lett 28: 762-768 (2018) Article DOI: 10.1016/j.bmcl.2018.01.003 BindingDB Entry DOI: 10.7270/Q2PV6NZ4
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50454631 (CHEMBL4214503) Show SMILES FC(F)(F)Oc1ccc(NC(=O)N[C@H]2CC[C@@H](CC2)Oc2ccc(cc2)C(=O)NCc2ccccc2)cc1 |r,wU:16.19,wD:13.12,(4.12,-15.13,;4.12,-16.53,;5.37,-15.51,;2.87,-15.51,;4.12,-18.07,;5.46,-18.84,;5.46,-20.38,;6.79,-21.15,;8.13,-20.38,;9.46,-21.15,;10.79,-20.38,;10.79,-18.84,;12.13,-21.15,;13.46,-20.37,;14.79,-21.15,;16.12,-20.38,;16.12,-18.84,;14.79,-18.07,;13.45,-18.84,;17.46,-18.08,;18.79,-18.85,;18.78,-20.39,;20.11,-21.16,;21.45,-20.39,;21.45,-18.85,;20.12,-18.08,;22.78,-21.17,;22.78,-22.71,;24.12,-20.4,;25.45,-21.17,;26.79,-20.4,;28.12,-21.17,;29.45,-20.4,;29.45,-18.86,;28.11,-18.09,;26.78,-18.86,;8.12,-18.83,;6.79,-18.07,)| Show InChI InChI=1S/C28H28F3N3O4/c29-28(30,31)38-25-16-10-22(11-17-25)34-27(36)33-21-8-14-24(15-9-21)37-23-12-6-20(7-13-23)26(35)32-18-19-4-2-1-3-5-19/h1-7,10-13,16-17,21,24H,8-9,14-15,18H2,(H,32,35)(H2,33,34,36)/t21-,24-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	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 expressed in baculovirus-infected High Five cells S9 fraction using CMNPC substrate by fluo...				Bioorg Med Chem Lett 28: 762-768 (2018) Article DOI: 10.1016/j.bmcl.2018.01.003 BindingDB Entry DOI: 10.7270/Q2PV6NZ4
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Mus musculus (Mouse))	BDBM158481 (US9029401, 1728 (t-TUCB)) Show SMILES OC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:8.7,wD:11.14,(10,,;8.67,-.77,;8.67,-2.31,;7.34,,;6,-.77,;4.67,,;4.67,1.54,;3.33,2.31,;2,1.54,;2,,;.67,-.77,;-.67,,;-.67,1.54,;.67,2.31,;-2,-.77,;-3.33,,;-3.33,1.54,;-4.67,-.77,;-6,,;-6,1.54,;-7.34,2.31,;-8.67,1.54,;-10,2.31,;-10,3.85,;-10,5.39,;-8.67,4.62,;-11.34,4.62,;-8.67,,;-7.34,-.77,;6,2.31,;7.34,1.54,)| Show InChI InChI=1S/C21H21F3N2O5/c22-21(23,24)31-18-11-5-15(6-12-18)26-20(29)25-14-3-9-17(10-4-14)30-16-7-1-13(2-8-16)19(27)28/h1-2,5-8,11-12,14,17H,3-4,9-10H2,(H,27,28)(H2,25,26,29)/t14-,17-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
University of California Davis Curated by ChEMBL					Assay Description Inhibition of soluble epoxide in mouse brain microsomes using CMNPC substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 762-768 (2018) Article DOI: 10.1016/j.bmcl.2018.01.003 BindingDB Entry DOI: 10.7270/Q2PV6NZ4
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50454628 (CHEMBL4217146) Show SMILES OC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)NC2CCCCC2)cc1 |r,wU:8.7,wD:11.14,(23.43,-6.87,;22.09,-7.64,;22.09,-9.18,;20.75,-6.87,;19.41,-7.63,;18.08,-6.86,;18.09,-5.32,;16.77,-4.55,;15.43,-5.32,;15.42,-6.86,;14.09,-7.62,;12.76,-6.85,;12.75,-5.31,;14.09,-4.54,;11.43,-7.62,;10.09,-6.85,;10.09,-5.31,;8.76,-7.62,;7.42,-6.86,;7.43,-5.32,;6.11,-4.55,;4.77,-5.32,;4.77,-6.86,;6.1,-7.63,;19.42,-4.55,;20.75,-5.32,)| Show InChI InChI=1S/C20H28N2O4/c23-19(24)14-6-10-17(11-7-14)26-18-12-8-16(9-13-18)22-20(25)21-15-4-2-1-3-5-15/h6-7,10-11,15-16,18H,1-5,8-9,12-13H2,(H,23,24)(H2,21,22,25)/t16-,18-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	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 expressed in baculovirus-infected High Five cells S9 fraction using CMNPC substrate by fluo...				Bioorg Med Chem Lett 28: 762-768 (2018) Article DOI: 10.1016/j.bmcl.2018.01.003 BindingDB Entry DOI: 10.7270/Q2PV6NZ4
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50454621 (CHEMBL4212165) Show SMILES OC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(Cl)cc2)cc1 |r,wU:8.7,wD:11.14,(55.22,-32.7,;53.89,-33.47,;53.89,-35.01,;52.55,-32.7,;51.22,-33.47,;49.89,-32.69,;49.9,-31.15,;48.56,-30.38,;47.23,-31.15,;47.22,-32.69,;45.89,-33.45,;44.57,-32.68,;44.55,-31.14,;45.89,-30.38,;43.23,-33.45,;41.9,-32.68,;41.9,-31.14,;40.57,-33.45,;39.23,-32.69,;37.89,-33.46,;36.56,-32.69,;36.56,-31.14,;35.23,-30.37,;37.89,-30.37,;39.23,-31.14,;51.22,-30.38,;52.55,-31.15,)| Show InChI InChI=1S/C20H21ClN2O4/c21-14-3-5-15(6-4-14)22-20(26)23-16-7-11-18(12-8-16)27-17-9-1-13(2-10-17)19(24)25/h1-6,9-10,16,18H,7-8,11-12H2,(H,24,25)(H2,22,23,26)/t16-,18-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	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 expressed in baculovirus-infected High Five cells S9 fraction using CMNPC substrate by fluo...				Bioorg Med Chem Lett 28: 762-768 (2018) Article DOI: 10.1016/j.bmcl.2018.01.003 BindingDB Entry DOI: 10.7270/Q2PV6NZ4
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50454632 (CHEMBL4205926) Show SMILES COC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:9.8,wD:12.15,(26.35,-29.49,;25.02,-28.72,;23.68,-29.49,;23.68,-31.03,;22.35,-28.71,;21.01,-29.48,;19.68,-28.71,;19.69,-27.17,;18.36,-26.4,;17.03,-27.16,;17.02,-28.7,;15.69,-29.47,;14.36,-28.69,;14.35,-27.16,;15.69,-26.39,;13.03,-29.47,;11.7,-28.7,;11.69,-27.16,;10.36,-29.47,;9.03,-28.7,;7.69,-29.47,;6.36,-28.7,;6.36,-27.16,;5.03,-26.39,;5.03,-24.85,;5.02,-23.45,;6.27,-23.83,;3.78,-23.83,;7.69,-26.39,;9.02,-27.15,;21.02,-26.4,;22.35,-27.17,)| Show InChI InChI=1S/C22H23F3N2O5/c1-30-20(28)14-2-8-17(9-3-14)31-18-10-4-15(5-11-18)26-21(29)27-16-6-12-19(13-7-16)32-22(23,24)25/h2-3,6-9,12-13,15,18H,4-5,10-11H2,1H3,(H2,26,27,29)/t15-,18-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	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 expressed in baculovirus-infected High Five cells S9 fraction using CMNPC substrate by fluo...				Bioorg Med Chem Lett 28: 762-768 (2018) Article DOI: 10.1016/j.bmcl.2018.01.003 BindingDB Entry DOI: 10.7270/Q2PV6NZ4
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50454596 (CHEMBL4203466) Show SMILES OC(=O)c1ccc(Oc2ccc(NC(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)cc1 Show InChI InChI=1S/C21H15F3N2O5/c22-21(23,24)31-18-11-5-15(6-12-18)26-20(29)25-14-3-9-17(10-4-14)30-16-7-1-13(2-8-16)19(27)28/h1-12H,(H,27,28)(H2,25,26,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	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 expressed in baculovirus-infected High Five cells S9 fraction using CMNPC substrate by fluo...				Bioorg Med Chem Lett 28: 762-768 (2018) Article DOI: 10.1016/j.bmcl.2018.01.003 BindingDB Entry DOI: 10.7270/Q2PV6NZ4
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50454622 (CHEMBL4208326) Show SMILES OC(=O)c1ccc(OC2CCN(CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 Show InChI InChI=1S/C20H20F3N3O5/c21-20(22,23)31-17-7-3-14(4-8-17)24-19(29)25-26-11-9-16(10-12-26)30-15-5-1-13(2-6-15)18(27)28/h1-8,16H,9-12H2,(H,27,28)(H2,24,25,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	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 expressed in baculovirus-infected High Five cells S9 fraction using CMNPC substrate by fluo...				Bioorg Med Chem Lett 28: 762-768 (2018) Article DOI: 10.1016/j.bmcl.2018.01.003 BindingDB Entry DOI: 10.7270/Q2PV6NZ4
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Mus musculus (mouse))	BDBM26739 (3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...) Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1 Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
University of California Davis Curated by ChEMBL					Assay Description Inhibition of FAAH in mouse brain microsomes using OMP substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 762-768 (2018) Article DOI: 10.1016/j.bmcl.2018.01.003 BindingDB Entry DOI: 10.7270/Q2PV6NZ4
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Mus musculus (mouse))	BDBM50454600 (CHEMBL4204424) Show SMILES FC(F)(F)c1ccc(Oc2cccc(CC3CCN(CC3)C(=O)Nc3cccnc3)c2)cc1 Show InChI InChI=1S/C25H24F3N3O2/c26-25(27,28)20-6-8-22(9-7-20)33-23-5-1-3-19(16-23)15-18-10-13-31(14-11-18)24(32)30-21-4-2-12-29-17-21/h1-9,12,16-18H,10-11,13-15H2,(H,30,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
University of California Davis Curated by ChEMBL					Assay Description Inhibition of FAAH in mouse brain microsomes using OMP substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 762-768 (2018) Article DOI: 10.1016/j.bmcl.2018.01.003 BindingDB Entry DOI: 10.7270/Q2PV6NZ4
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM26739 (3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...) Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1 Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
University of California Davis Curated by ChEMBL					Assay Description Inhibition of FAAH in rat brain microsomes using OMP substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 762-768 (2018) Article DOI: 10.1016/j.bmcl.2018.01.003 BindingDB Entry DOI: 10.7270/Q2PV6NZ4
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50454627 (CHEMBL4214601) Show SMILES OC(=O)c1ccc(OCCCCNC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 Show InChI InChI=1S/C19H19F3N2O5/c20-19(21,22)29-16-9-5-14(6-10-16)24-18(27)23-11-1-2-12-28-15-7-3-13(4-8-15)17(25)26/h3-10H,1-2,11-12H2,(H,25,26)(H2,23,24,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	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 expressed in baculovirus-infected High Five cells S9 fraction using CMNPC substrate by fluo...				Bioorg Med Chem Lett 28: 762-768 (2018) Article DOI: 10.1016/j.bmcl.2018.01.003 BindingDB Entry DOI: 10.7270/Q2PV6NZ4
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50454629 (CHEMBL4204930) Show SMILES OC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(F)cc2)cc1 |r,wU:8.7,wD:11.14,(54.75,-18.54,;53.42,-19.3,;53.42,-20.84,;52.09,-18.53,;50.75,-19.3,;49.42,-18.53,;49.43,-16.99,;48.09,-16.22,;46.76,-16.98,;46.75,-18.52,;45.43,-19.29,;44.1,-18.51,;44.08,-16.98,;45.43,-16.21,;42.76,-19.29,;41.43,-18.52,;41.43,-16.98,;40.1,-19.29,;38.76,-18.52,;37.43,-19.29,;36.09,-18.52,;36.09,-16.98,;34.76,-16.21,;37.42,-16.21,;38.76,-16.97,;50.75,-16.22,;52.08,-16.99,)| Show InChI InChI=1S/C20H21FN2O4/c21-14-3-5-15(6-4-14)22-20(26)23-16-7-11-18(12-8-16)27-17-9-1-13(2-10-17)19(24)25/h1-6,9-10,16,18H,7-8,11-12H2,(H,24,25)(H2,22,23,26)/t16-,18-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	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 expressed in baculovirus-infected High Five cells S9 fraction using CMNPC substrate by fluo...				Bioorg Med Chem Lett 28: 762-768 (2018) Article DOI: 10.1016/j.bmcl.2018.01.003 BindingDB Entry DOI: 10.7270/Q2PV6NZ4
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM26739 (3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...) Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1 Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
University of California Davis Curated by ChEMBL					Assay Description Inhibition of human FAAH expressed in baculovirus-infected High Five cells S9 fraction using OMP substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 762-768 (2018) Article DOI: 10.1016/j.bmcl.2018.01.003 BindingDB Entry DOI: 10.7270/Q2PV6NZ4
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50454598 (CHEMBL4215208) Show SMILES FC(F)(F)Oc1ccc(NC(=O)N[C@H]2CC[C@@H](CC2)Oc2ccc(cc2)C(=O)OCc2ccccc2)cc1 |r,wU:16.19,wD:13.12,(30.34,-3.34,;30.34,-4.74,;31.59,-3.72,;29.09,-3.72,;30.34,-6.28,;31.68,-7.05,;31.67,-8.59,;33.01,-9.36,;34.35,-8.59,;35.68,-9.36,;37.01,-8.59,;37.01,-7.05,;38.35,-9.35,;39.68,-8.58,;41.01,-9.36,;42.34,-8.59,;42.34,-7.05,;41.01,-6.28,;39.67,-7.05,;43.68,-6.28,;45.01,-7.06,;45,-8.6,;46.33,-9.37,;47.67,-8.6,;47.67,-7.05,;46.34,-6.29,;49,-9.37,;49,-10.91,;50.34,-8.6,;51.67,-9.38,;53,-8.61,;54.33,-9.38,;55.67,-8.61,;55.67,-7.07,;54.33,-6.3,;53,-7.07,;34.34,-7.04,;33.01,-6.28,)| Show InChI InChI=1S/C28H27F3N2O5/c29-28(30,31)38-25-16-10-22(11-17-25)33-27(35)32-21-8-14-24(15-9-21)37-23-12-6-20(7-13-23)26(34)36-18-19-4-2-1-3-5-19/h1-7,10-13,16-17,21,24H,8-9,14-15,18H2,(H2,32,33,35)/t21-,24-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
University of California Davis Curated by ChEMBL					Assay Description Inhibition of human FAAH expressed in baculovirus-infected High Five cells S9 fraction using OMP substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 762-768 (2018) Article DOI: 10.1016/j.bmcl.2018.01.003 BindingDB Entry DOI: 10.7270/Q2PV6NZ4
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50454630 (CHEMBL4216616) Show SMILES OC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccccc2)cc1 |r,wU:8.7,wD:11.14,(54.56,-7.85,;53.23,-8.62,;53.23,-10.16,;51.89,-7.85,;50.56,-8.62,;49.23,-7.84,;49.24,-6.3,;47.9,-5.53,;46.57,-6.3,;46.56,-7.84,;45.23,-8.6,;43.91,-7.83,;43.89,-6.29,;45.23,-5.53,;42.57,-8.6,;41.24,-7.83,;41.24,-6.29,;39.91,-8.6,;38.57,-7.84,;37.23,-8.61,;35.9,-7.84,;35.9,-6.29,;37.23,-5.52,;38.56,-6.29,;50.56,-5.53,;51.89,-6.3,)| Show InChI InChI=1S/C20H22N2O4/c23-19(24)14-6-10-17(11-7-14)26-18-12-8-16(9-13-18)22-20(25)21-15-4-2-1-3-5-15/h1-7,10-11,16,18H,8-9,12-13H2,(H,23,24)(H2,21,22,25)/t16-,18-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	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 expressed in baculovirus-infected High Five cells S9 fraction using CMNPC substrate by fluo...				Bioorg Med Chem Lett 28: 762-768 (2018) Article DOI: 10.1016/j.bmcl.2018.01.003 BindingDB Entry DOI: 10.7270/Q2PV6NZ4
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50454624 (CHEMBL4209593) Show SMILES COC(=O)CNC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:13.12,wD:16.19,(29.69,-8.45,;28.35,-9.22,;27.02,-8.45,;27.02,-6.91,;25.68,-9.22,;24.35,-8.45,;23.02,-9.22,;23.02,-10.76,;21.68,-8.45,;20.35,-9.21,;19.02,-8.44,;19.03,-6.9,;17.69,-6.13,;16.36,-6.9,;16.35,-8.44,;15.02,-9.2,;13.7,-8.43,;13.68,-6.89,;15.02,-6.12,;12.36,-9.2,;11.03,-8.43,;11.03,-6.89,;9.7,-9.2,;8.36,-8.43,;7.02,-9.21,;5.69,-8.44,;5.69,-6.89,;4.36,-6.12,;4.36,-4.58,;4.36,-3.18,;5.6,-3.56,;3.11,-3.56,;7.02,-6.12,;8.36,-6.88,;20.35,-6.13,;21.68,-6.9,)| Show InChI InChI=1S/C24H26F3N3O6/c1-34-21(31)14-28-22(32)15-2-8-18(9-3-15)35-19-10-4-16(5-11-19)29-23(33)30-17-6-12-20(13-7-17)36-24(25,26)27/h2-3,6-9,12-13,16,19H,4-5,10-11,14H2,1H3,(H,28,32)(H2,29,30,33)/t16-,19-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	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 FAAH expressed in baculovirus-infected High Five cells S9 fraction using OMP substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 762-768 (2018) Article DOI: 10.1016/j.bmcl.2018.01.003 BindingDB Entry DOI: 10.7270/Q2PV6NZ4
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50454632 (CHEMBL4205926) Show SMILES COC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:9.8,wD:12.15,(26.35,-29.49,;25.02,-28.72,;23.68,-29.49,;23.68,-31.03,;22.35,-28.71,;21.01,-29.48,;19.68,-28.71,;19.69,-27.17,;18.36,-26.4,;17.03,-27.16,;17.02,-28.7,;15.69,-29.47,;14.36,-28.69,;14.35,-27.16,;15.69,-26.39,;13.03,-29.47,;11.7,-28.7,;11.69,-27.16,;10.36,-29.47,;9.03,-28.7,;7.69,-29.47,;6.36,-28.7,;6.36,-27.16,;5.03,-26.39,;5.03,-24.85,;5.02,-23.45,;6.27,-23.83,;3.78,-23.83,;7.69,-26.39,;9.02,-27.15,;21.02,-26.4,;22.35,-27.17,)| Show InChI InChI=1S/C22H23F3N2O5/c1-30-20(28)14-2-8-17(9-3-14)31-18-10-4-15(5-11-18)26-21(29)27-16-6-12-19(13-7-16)32-22(23,24)25/h2-3,6-9,12-13,15,18H,4-5,10-11H2,1H3,(H2,26,27,29)/t15-,18-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
University of California Davis Curated by ChEMBL					Assay Description Inhibition of human FAAH expressed in baculovirus-infected High Five cells S9 fraction using OMP substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 762-768 (2018) Article DOI: 10.1016/j.bmcl.2018.01.003 BindingDB Entry DOI: 10.7270/Q2PV6NZ4
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Rattus norvegicus)	BDBM158481 (US9029401, 1728 (t-TUCB)) Show SMILES OC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:8.7,wD:11.14,(10,,;8.67,-.77,;8.67,-2.31,;7.34,,;6,-.77,;4.67,,;4.67,1.54,;3.33,2.31,;2,1.54,;2,,;.67,-.77,;-.67,,;-.67,1.54,;.67,2.31,;-2,-.77,;-3.33,,;-3.33,1.54,;-4.67,-.77,;-6,,;-6,1.54,;-7.34,2.31,;-8.67,1.54,;-10,2.31,;-10,3.85,;-10,5.39,;-8.67,4.62,;-11.34,4.62,;-8.67,,;-7.34,-.77,;6,2.31,;7.34,1.54,)| Show InChI InChI=1S/C21H21F3N2O5/c22-21(23,24)31-18-11-5-15(6-12-18)26-20(29)25-14-3-9-17(10-4-14)30-16-7-1-13(2-8-16)19(27)28/h1-2,5-8,11-12,14,17H,3-4,9-10H2,(H,27,28)(H2,25,26,29)/t14-,17-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
University of California Davis Curated by ChEMBL					Assay Description Inhibition of soluble epoxide in rat brain microsomes using CMNPC substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 762-768 (2018) Article DOI: 10.1016/j.bmcl.2018.01.003 BindingDB Entry DOI: 10.7270/Q2PV6NZ4
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50454625 (CHEMBL4207039) Show SMILES NC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:8.7,wD:11.14,(24.95,-19.24,;23.62,-20.01,;23.61,-21.55,;22.28,-19.24,;20.95,-20.01,;19.62,-19.24,;19.62,-17.7,;18.29,-16.93,;16.96,-17.69,;16.95,-19.23,;15.62,-20,;14.29,-19.22,;14.28,-17.69,;15.62,-16.92,;12.96,-19.99,;11.63,-19.23,;11.62,-17.69,;10.29,-20,;8.96,-19.23,;7.62,-20,;6.29,-19.23,;6.29,-17.69,;4.96,-16.92,;4.96,-15.38,;4.95,-13.98,;6.2,-14.36,;3.71,-14.36,;7.62,-16.92,;8.95,-17.68,;20.95,-16.93,;22.28,-17.69,)| Show InChI InChI=1S/C21H22F3N3O4/c22-21(23,24)31-18-11-5-15(6-12-18)27-20(29)26-14-3-9-17(10-4-14)30-16-7-1-13(2-8-16)19(25)28/h1-2,5-8,11-12,14,17H,3-4,9-10H2,(H2,25,28)(H2,26,27,29)/t14-,17-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
University of California Davis Curated by ChEMBL					Assay Description Inhibition of human FAAH expressed in baculovirus-infected High Five cells S9 fraction using OMP substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 762-768 (2018) Article DOI: 10.1016/j.bmcl.2018.01.003 BindingDB Entry DOI: 10.7270/Q2PV6NZ4
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50454633 (CHEMBL4206149) Show SMILES OCCNC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:11.10,wD:14.17,(55.98,-29.23,;54.65,-28.46,;53.32,-29.23,;51.98,-28.46,;50.65,-29.23,;50.65,-30.77,;49.32,-28.46,;47.98,-29.23,;46.65,-28.45,;46.66,-26.91,;45.33,-26.14,;43.99,-26.91,;43.99,-28.45,;42.66,-29.21,;41.33,-28.44,;41.32,-26.9,;42.66,-26.14,;40,-29.21,;38.66,-28.44,;38.66,-26.9,;37.33,-29.21,;35.99,-28.45,;34.66,-29.22,;33.32,-28.45,;33.32,-26.9,;31.99,-26.13,;31.99,-24.59,;31.99,-23.19,;33.24,-23.58,;30.74,-23.58,;34.65,-26.13,;35.99,-26.9,;47.98,-26.14,;49.32,-26.91,)| Show InChI InChI=1S/C23H26F3N3O5/c24-23(25,26)34-20-11-5-17(6-12-20)29-22(32)28-16-3-9-19(10-4-16)33-18-7-1-15(2-8-18)21(31)27-13-14-30/h1-2,5-8,11-12,16,19,30H,3-4,9-10,13-14H2,(H,27,31)(H2,28,29,32)/t16-,19-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of California Davis Curated by ChEMBL					Assay Description Inhibition of human FAAH expressed in baculovirus-infected High Five cells S9 fraction using OMP substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 762-768 (2018) Article DOI: 10.1016/j.bmcl.2018.01.003 BindingDB Entry DOI: 10.7270/Q2PV6NZ4
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50454597 (CHEMBL4211919) Show SMILES CC(=O)Oc1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:9.8,wD:12.15,(25.82,-10.05,;24.48,-9.28,;24.49,-7.74,;23.15,-10.05,;21.82,-9.28,;20.48,-10.05,;19.15,-9.27,;19.16,-7.73,;17.83,-6.96,;16.49,-7.73,;16.48,-9.27,;15.16,-10.03,;13.83,-9.26,;13.82,-7.73,;15.16,-6.96,;12.49,-10.03,;11.16,-9.26,;11.16,-7.72,;9.83,-10.03,;8.49,-9.27,;7.16,-10.04,;5.82,-9.27,;5.82,-7.72,;4.49,-6.95,;4.49,-5.41,;4.49,-4.01,;5.74,-4.4,;3.24,-4.4,;7.15,-6.95,;8.49,-7.72,;20.48,-6.97,;21.81,-7.73,)| Show InChI InChI=1S/C22H23F3N2O5/c1-14(28)30-17-10-12-19(13-11-17)31-18-6-2-15(3-7-18)26-21(29)27-16-4-8-20(9-5-16)32-22(23,24)25/h4-5,8-13,15,18H,2-3,6-7H2,1H3,(H2,26,27,29)/t15-,18-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
University of California Davis Curated by ChEMBL					Assay Description Inhibition of human FAAH expressed in baculovirus-infected High Five cells S9 fraction using OMP substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 762-768 (2018) Article DOI: 10.1016/j.bmcl.2018.01.003 BindingDB Entry DOI: 10.7270/Q2PV6NZ4
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50454599 (CHEMBL4216368) Show SMILES Oc1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:6.5,wD:9.12,(74.54,-31.49,;73.21,-30.71,;71.87,-31.48,;70.54,-30.71,;70.55,-29.17,;69.22,-28.4,;67.88,-29.16,;67.88,-30.7,;66.55,-31.47,;65.22,-30.69,;65.21,-29.16,;66.55,-28.39,;63.89,-31.47,;62.55,-30.7,;62.55,-29.16,;61.22,-31.47,;59.89,-30.7,;58.55,-31.47,;57.22,-30.7,;57.22,-29.16,;55.88,-28.39,;55.88,-26.85,;55.88,-25.45,;57.13,-25.83,;54.63,-25.83,;58.55,-28.39,;59.88,-29.15,;71.88,-28.4,;73.21,-29.17,)| Show InChI InChI=1S/C20H21F3N2O4/c21-20(22,23)29-18-9-3-14(4-10-18)25-19(27)24-13-1-7-16(8-2-13)28-17-11-5-15(26)6-12-17/h3-6,9-13,16,26H,1-2,7-8H2,(H2,24,25,27)/t13-,16-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
University of California Davis Curated by ChEMBL					Assay Description Inhibition of human FAAH expressed in baculovirus-infected High Five cells S9 fraction using OMP substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 762-768 (2018) Article DOI: 10.1016/j.bmcl.2018.01.003 BindingDB Entry DOI: 10.7270/Q2PV6NZ4
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50454635 (CHEMBL4211037) Show SMILES OC(=O)CNC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:12.11,wD:15.18,(55.81,-41.23,;54.47,-40.46,;54.47,-38.92,;53.14,-41.23,;51.81,-40.46,;50.47,-41.23,;50.47,-42.77,;49.14,-40.46,;47.8,-41.23,;46.47,-40.45,;46.48,-38.91,;45.15,-38.14,;43.81,-38.91,;43.81,-40.45,;42.48,-41.21,;41.15,-40.44,;41.14,-38.91,;42.48,-38.14,;39.82,-41.21,;38.48,-40.44,;38.48,-38.9,;37.15,-41.21,;35.81,-40.45,;34.48,-41.22,;33.14,-40.45,;33.15,-38.9,;31.81,-38.13,;31.81,-36.59,;31.81,-35.19,;33.06,-35.58,;30.56,-35.58,;34.47,-38.13,;35.81,-38.9,;47.81,-38.15,;49.14,-38.91,)| Show InChI InChI=1S/C23H24F3N3O6/c24-23(25,26)35-19-11-5-16(6-12-19)29-22(33)28-15-3-9-18(10-4-15)34-17-7-1-14(2-8-17)21(32)27-13-20(30)31/h1-2,5-8,11-12,15,18H,3-4,9-10,13H2,(H,27,32)(H,30,31)(H2,28,29,33)/t15-,18-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
University of California Davis Curated by ChEMBL					Assay Description Inhibition of human FAAH expressed in baculovirus-infected High Five cells S9 fraction using OMP substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 762-768 (2018) Article DOI: 10.1016/j.bmcl.2018.01.003 BindingDB Entry DOI: 10.7270/Q2PV6NZ4
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 98 total )  |  Next  |  Last  >>

Jump to: