Compile Data Set for Download or QSAR

Found 1940 hits with Last Name = 'ang' and Initial = 'sh'   

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
5-hydroxytryptamine receptor 1B (GUINEA PIG)	BDBM50590649 (CHEMBL5209320) Show SMILES Cc1ccc(N2CCN([11CH3])CC2)c2oc(cc(=O)c12)C(=O)Nc1ccc(cc1)N1CCOCC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00633 BindingDB Entry DOI: 10.7270/Q26M3BS8
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50100528 (CHEMBL3327081) Show SMILES FC(F)(F)CC(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C18H17F10N3O2/c19-15(20,21)9-13(32)31-7-5-12(6-8-31)30-14(33)29-11-3-1-10(2-4-11)16(22,17(23,24)25)18(26,27)28/h1-4,12H,5-9H2,(H2,29,30,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	<0.0200	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 Inhibition of human recombinant soluble epoxide hydrolase by FRET-based ACPU displacement assay				J Med Chem 57: 7016-30 (2014) Article DOI: 10.1021/jm500694p BindingDB Entry DOI: 10.7270/Q2FJ2JJQ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50100535 (CHEMBL3327073) Show SMILES CCC(C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H24F7N3O2/c1-3-12(2)16(31)30-10-8-15(9-11-30)29-17(32)28-14-6-4-13(5-7-14)18(21,19(22,23)24)20(25,26)27/h4-7,12,15H,3,8-11H2,1-2H3,(H2,28,29,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0200	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 Inhibition of human recombinant soluble epoxide hydrolase by FRET-based ACPU displacement assay				J Med Chem 57: 7016-30 (2014) Article DOI: 10.1021/jm500694p BindingDB Entry DOI: 10.7270/Q2FJ2JJQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50472582 (CHEMBL45422) Show SMILES CNc1nc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)ccc1C Show InChI InChI=1S/C21H25ClF2N4O/c1-14-3-5-16(27-19(14)25-2)12-26-13-21(24)7-9-28(10-8-21)20(29)15-4-6-18(23)17(22)11-15/h3-6,11,26H,7-10,12-13H2,1-2H3,(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00633 BindingDB Entry DOI: 10.7270/Q26M3BS8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50590640 (CHEMBL5177580) Show SMILES COc1ccccc1N1CCN(CCCCc2ccc3n(C)c(=O)oc3c2)CC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00633 BindingDB Entry DOI: 10.7270/Q26M3BS8
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM409009 (US10377744, Compound No. 30 | US11123311, Compound...) Show SMILES Fc1cc(NC(=O)NC2CCN(CC2)C(=O)C2(CC2)C(F)(F)F)ccc1OC(F)(F)F Show InChI InChI=1S/C18H18F7N3O3/c19-12-9-11(1-2-13(12)31-18(23,24)25)27-15(30)26-10-3-7-28(8-4-10)14(29)16(5-6-16)17(20,21)22/h1-2,9-10H,3-8H2,(H2,26,27,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human sEH expressed in baculovirus expression system assessed as reduction in ACPU binding incubated for 1 hr by FRET displ...				Citation and Details Article DOI: 10.1016/j.bmc.2020.115735 BindingDB Entry DOI: 10.7270/Q2SF30T4
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM409005 (US10377744, Compound No. 26 | US11123311, Compound...) Show SMILES CC[C@H](C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)c(F)c1 |r| Show InChI InChI=1S/C18H23F4N3O3/c1-3-11(2)16(26)25-8-6-12(7-9-25)23-17(27)24-13-4-5-15(14(19)10-13)28-18(20,21)22/h4-5,10-12H,3,6-9H2,1-2H3,(H2,23,24,27)/t11-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	<0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to purified recombinant human sEH by FRET-displacement assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01886 BindingDB Entry DOI: 10.7270/Q22V2KSZ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM409005 (US10377744, Compound No. 26 | US11123311, Compound...) Show SMILES CC[C@H](C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)c(F)c1 |r| Show InChI InChI=1S/C18H23F4N3O3/c1-3-11(2)16(26)25-8-6-12(7-9-25)23-17(27)24-13-4-5-15(14(19)10-13)28-18(20,21)22/h4-5,10-12H,3,6-9H2,1-2H3,(H2,23,24,27)/t11-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	<0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human sEH expressed in baculovirus expression system assessed as reduction in ACPU binding incubated for 1 hr by FRET displ...				Citation and Details Article DOI: 10.1016/j.bmc.2020.115735 BindingDB Entry DOI: 10.7270/Q2SF30T4
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM409020 (US10377744, Compound No. 40 | US11123311, Compound...) Show SMILES CCOC(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)c(F)c1 Show InChI InChI=1S/C16H19F4N3O4/c1-2-26-15(25)23-7-5-10(6-8-23)21-14(24)22-11-3-4-13(12(17)9-11)27-16(18,19)20/h3-4,9-10H,2,5-8H2,1H3,(H2,21,22,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human sEH expressed in baculovirus expression system assessed as reduction in ACPU binding incubated for 1 hr by FRET displ...				Citation and Details Article DOI: 10.1016/j.bmc.2020.115735 BindingDB Entry DOI: 10.7270/Q2SF30T4
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM409016 (US10377744, Compound No. 36 | US11123311, Compound...) Show SMILES Fc1cc(NC(=O)NC2CCN(CC2)C(=O)C2(CC2)C(F)(F)F)ccc1C(F)(F)F Show InChI InChI=1S/C18H18F7N3O2/c19-13-9-11(1-2-12(13)17(20,21)22)27-15(30)26-10-3-7-28(8-4-10)14(29)16(5-6-16)18(23,24)25/h1-2,9-10H,3-8H2,(H2,26,27,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human sEH expressed in baculovirus expression system assessed as reduction in ACPU binding incubated for 1 hr by FRET displ...				Citation and Details Article DOI: 10.1016/j.bmc.2020.115735 BindingDB Entry DOI: 10.7270/Q2SF30T4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50590648 (CHEMBL5202019) Show SMILES [#6]-[#8]-c1ccccc1-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-n2cc(-[#6]-[#8]-[#6]-[#6](-[#6]-[#8]-c3ccc(cc3)[Si;v4]([18F])(C([#6])([#6])[#6])C([#6])([#6])[#6])-[#8]-[#6]-c3cn(-[#6]-[#6]-[#7]-4-[#6]-[#6]-[#7](-[#6]-[#6]-4)-c4ccccc4-[#8]-[#6])nn3)nn2)-[#6]-[#6]-1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0990	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00633 BindingDB Entry DOI: 10.7270/Q26M3BS8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50039824 (CHEMBL81728 | N-{2-[4-(2,3-Dihydro-benzo[1,4]dioxi...) Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1cccc2OCCOc12 Show InChI InChI=1S/C21H24FN3O3/c22-17-6-4-16(5-7-17)21(26)23-8-9-24-10-12-25(13-11-24)18-2-1-3-19-20(18)28-15-14-27-19/h1-7H,8-15H2,(H,23,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00633 BindingDB Entry DOI: 10.7270/Q26M3BS8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50438565 (CHEMBL2413153) Show SMILES Cn1c(=O)cnn(CCCCN2CCN(CC2)c2ccccc2OCCF)c1=O Show InChI InChI=1S/C20H28FN5O3/c1-23-19(27)16-22-26(20(23)28)10-5-4-9-24-11-13-25(14-12-24)17-6-2-3-7-18(17)29-15-8-21/h2-3,6-7,16H,4-5,8-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00633 BindingDB Entry DOI: 10.7270/Q26M3BS8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50113332 (3-(2-(4-(4-fluorobenzoyl)piperidin-1-yl)ethyl)-2-t...) Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=S)[nH]c3ccccc3c2=O)CC1 Show InChI InChI=1S/C22H22FN3O2S/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00633 BindingDB Entry DOI: 10.7270/Q26M3BS8
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM409003 (US10377744, Compound No. 24 | US11123311, Compound...) Show SMILES Fc1cc(NC(=O)NC2CCN(CC2)C(=O)C2CC2)ccc1OC(F)(F)F Show InChI InChI=1S/C17H19F4N3O3/c18-13-9-12(3-4-14(13)27-17(19,20)21)23-16(26)22-11-5-7-24(8-6-11)15(25)10-1-2-10/h3-4,9-11H,1-2,5-8H2,(H2,22,23,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human sEH expressed in baculovirus expression system assessed as reduction in ACPU binding incubated for 1 hr by FRET displ...				Citation and Details Article DOI: 10.1016/j.bmc.2020.115735 BindingDB Entry DOI: 10.7270/Q2SF30T4
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM409003 (US10377744, Compound No. 24 | US11123311, Compound...) Show SMILES Fc1cc(NC(=O)NC2CCN(CC2)C(=O)C2CC2)ccc1OC(F)(F)F Show InChI InChI=1S/C17H19F4N3O3/c18-13-9-12(3-4-14(13)27-17(19,20)21)23-16(26)22-11-5-7-24(8-6-11)15(25)10-1-2-10/h3-4,9-11H,1-2,5-8H2,(H2,22,23,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to purified recombinant human sEH by FRET-displacement assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01886 BindingDB Entry DOI: 10.7270/Q22V2KSZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50182020 (2-(4-(4-(3-methoxyphenyl)piperazin-1-yl)butyl)-4-m...) Show SMILES COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00633 BindingDB Entry DOI: 10.7270/Q26M3BS8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50011175 (CHEMBL3260313) Show SMILES CN1CCN(CC1)c1cccc2cc(cnc12)S(=O)(=O)c1cccc(F)c1 Show InChI InChI=1S/C20H20FN3O2S/c1-23-8-10-24(11-9-23)19-7-2-4-15-12-18(14-22-20(15)19)27(25,26)17-6-3-5-16(21)13-17/h2-7,12-14H,8-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00633 BindingDB Entry DOI: 10.7270/Q26M3BS8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50590673 (CHEMBL5179460) Show SMILES Fc1ccccc1S(=O)(=O)N1CCC[C@@H]1CCCN1CCN(CC1)c1ccccn1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00633 BindingDB Entry DOI: 10.7270/Q26M3BS8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50590637 (CHEMBL5189925) Show SMILES CCCN(CCCSC)C1CCc2cccc(O)c2C1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00633 BindingDB Entry DOI: 10.7270/Q26M3BS8
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50100521 (CHEMBL3327078 | US10377744, Compound No. 2696) Show SMILES CC[C@H](C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C18H24F3N3O3/c1-3-12(2)16(25)24-10-8-14(9-11-24)23-17(26)22-13-4-6-15(7-5-13)27-18(19,20)21/h4-7,12,14H,3,8-11H2,1-2H3,(H2,22,23,26)/t12-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.190	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 Inhibition of human recombinant soluble epoxide hydrolase by FRET-based ACPU displacement assay				J Med Chem 57: 7016-30 (2014) Article DOI: 10.1021/jm500694p BindingDB Entry DOI: 10.7270/Q2FJ2JJQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM85862 (1-(2-Chloro-3,4-dimethoxybenzyl)-6-methyl-2,3,4,9-...) Show SMILES COc1ccc(CC2NCCc3c2[nH]c2ccc(C)cc32)c(Cl)c1OC Show InChI InChI=1S/C21H23ClN2O2/c1-12-4-6-16-15(10-12)14-8-9-23-17(20(14)24-16)11-13-5-7-18(25-2)21(26-3)19(13)22/h4-7,10,17,23-24H,8-9,11H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00633 BindingDB Entry DOI: 10.7270/Q26M3BS8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50590663 (CHEMBL5175726) Show SMILES CC1(CCN(CCCOc2ccc(F)cc2)CC1)NC(=O)c1ccc(N)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00633 BindingDB Entry DOI: 10.7270/Q26M3BS8
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50554114 (CHEMBL4781745) Show SMILES Cc1ccoc1C(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human sEH expressed in baculovirus expression system assessed as reduction in ACPU binding incubated for 1 hr by FRET displ...				Citation and Details Article DOI: 10.1016/j.bmc.2020.115735 BindingDB Entry DOI: 10.7270/Q2SF30T4
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50100519 (CHEMBL3327067 | US10377744, Compound No. 2391) Show SMILES CC[C@H](C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C18H24F3N3O2/c1-3-12(2)16(25)24-10-8-15(9-11-24)23-17(26)22-14-6-4-13(5-7-14)18(19,20)21/h4-7,12,15H,3,8-11H2,1-2H3,(H2,22,23,26)/t12-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.220	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 Inhibition of human recombinant soluble epoxide hydrolase by FRET-based ACPU displacement assay				J Med Chem 57: 7016-30 (2014) Article DOI: 10.1021/jm500694p BindingDB Entry DOI: 10.7270/Q2FJ2JJQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50590671 (CHEMBL5196234) Show SMILES Fc1ccccc1S(=O)(=O)N1CCC[C@@H]1CCCN1CCN(CC1)c1ccc(Cl)cc1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00633 BindingDB Entry DOI: 10.7270/Q26M3BS8
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50100519 (CHEMBL3327067 | US10377744, Compound No. 2391) Show SMILES CC[C@H](C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C18H24F3N3O2/c1-3-12(2)16(25)24-10-8-15(9-11-24)23-17(26)22-14-6-4-13(5-7-14)18(19,20)21/h4-7,12,15H,3,8-11H2,1-2H3,(H2,22,23,26)/t12-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human sEH expressed in baculovirus expression system assessed as reduction in ACPU binding incubated for 1 hr by FRET displ...				Citation and Details Article DOI: 10.1016/j.bmc.2020.115735 BindingDB Entry DOI: 10.7270/Q2SF30T4
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50100531 (CHEMBL3325465) Show SMILES CCC(C)C(=O)N1CCC(CC1)NC(=O)N[C@H]1CC[C@H](CC)CC1 |r,wU:16.16,wD:19.20,(21.72,-50.53,;20.39,-49.76,;20.39,-48.22,;19.05,-47.45,;21.72,-47.45,;21.72,-45.91,;23.06,-48.22,;24.38,-47.45,;25.72,-48.22,;25.72,-49.76,;24.38,-50.53,;23.06,-49.76,;27.06,-50.53,;28.39,-49.76,;29.72,-50.53,;28.39,-48.22,;29.72,-47.45,;29.72,-45.91,;31.06,-45.14,;32.39,-45.91,;33.72,-45.14,;35.06,-45.91,;32.39,-47.45,;31.06,-48.22,)| Show InChI InChI=1S/C19H35N3O2/c1-4-14(3)18(23)22-12-10-17(11-13-22)21-19(24)20-16-8-6-15(5-2)7-9-16/h14-17H,4-13H2,1-3H3,(H2,20,21,24)/t14?,15-,16-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.230	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 Inhibition of human recombinant soluble epoxide hydrolase by FRET-based ACPU displacement assay				J Med Chem 57: 7016-30 (2014) Article DOI: 10.1021/jm500694p BindingDB Entry DOI: 10.7270/Q2FJ2JJQ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM408986 (US10377744, Compound No. 7 | US11123311, Compound ...) Show SMILES Cc1ccoc1C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C19H20F3N3O4/c1-12-8-11-28-16(12)17(26)25-9-6-14(7-10-25)24-18(27)23-13-2-4-15(5-3-13)29-19(20,21)22/h2-5,8,11,14H,6-7,9-10H2,1H3,(H2,23,24,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human sEH expressed in baculovirus expression system assessed as reduction in ACPU binding incubated for 1 hr by FRET displ...				Citation and Details Article DOI: 10.1016/j.bmc.2020.115735 BindingDB Entry DOI: 10.7270/Q2SF30T4
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)	BDBM50010044 (2-{3-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-propyl}-...) Show SMILES Fc1ccc(cc1)N1CCN(CCCN2c3cccc4cccc(c34)S2(=O)=O)CC1 Show InChI InChI=1S/C23H24FN3O2S/c24-19-8-10-20(11-9-19)26-16-14-25(15-17-26)12-3-13-27-21-6-1-4-18-5-2-7-22(23(18)21)30(27,28)29/h1-2,4-11H,3,12-17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00633 BindingDB Entry DOI: 10.7270/Q26M3BS8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50448450 (CHEMBL3126112) Show SMILES CN1CCC(COC(=O)c2cc(Cl)c(N)c3OCCOc23)CC1 Show InChI InChI=1S/C16H21ClN2O4/c1-19-4-2-10(3-5-19)9-23-16(20)11-8-12(17)13(18)15-14(11)21-6-7-22-15/h8,10H,2-7,9,18H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00633 BindingDB Entry DOI: 10.7270/Q26M3BS8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50590681 (CHEMBL5193649) Show SMILES Cc1c(n[nH]c1-c1ccc(Cl)cc1)C(=O)N1CCC(CC1)c1ncc[nH]1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00633 BindingDB Entry DOI: 10.7270/Q26M3BS8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50249134 (4-(4-fluoronaphthalen-1-yl)-6-isopropylpyrimidin-2...) Show SMILES CC(C)c1cc(nc(N)n1)-c1ccc(F)c2ccccc12 Show InChI InChI=1S/C17H16FN3/c1-10(2)15-9-16(21-17(19)20-15)13-7-8-14(18)12-6-4-3-5-11(12)13/h3-10H,1-2H3,(H2,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00633 BindingDB Entry DOI: 10.7270/Q26M3BS8
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM408998 (US10377744, Compound No. 19 | US11123311, Compound...) Show SMILES CC(C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)c(F)c1 Show InChI InChI=1S/C17H21F4N3O3/c1-10(2)15(25)24-7-5-11(6-8-24)22-16(26)23-12-3-4-14(13(18)9-12)27-17(19,20)21/h3-4,9-11H,5-8H2,1-2H3,(H2,22,23,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human sEH expressed in baculovirus expression system assessed as reduction in ACPU binding incubated for 1 hr by FRET displ...				Citation and Details Article DOI: 10.1016/j.bmc.2020.115735 BindingDB Entry DOI: 10.7270/Q2SF30T4
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM408998 (US10377744, Compound No. 19 | US11123311, Compound...) Show SMILES CC(C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)c(F)c1 Show InChI InChI=1S/C17H21F4N3O3/c1-10(2)15(25)24-7-5-11(6-8-24)22-16(26)23-12-3-4-14(13(18)9-12)27-17(19,20)21/h3-4,9-11H,5-8H2,1-2H3,(H2,22,23,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to purified recombinant human sEH by FRET-displacement assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01886 BindingDB Entry DOI: 10.7270/Q22V2KSZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50590629 (CHEMBL5205609) Show SMILES COc1ccccc1N1CCN(CCN(C(=O)N2CCCCC2)c2cccc(Br)n2)CC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00633 BindingDB Entry DOI: 10.7270/Q26M3BS8
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50100520 (CHEMBL3327077 | US10377744, Compound No. 2422 | US...) Show SMILES CC(C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C17H22F3N3O3/c1-11(2)15(24)23-9-7-13(8-10-23)22-16(25)21-12-3-5-14(6-4-12)26-17(18,19)20/h3-6,11,13H,7-10H2,1-2H3,(H2,21,22,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.310	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 Inhibition of human recombinant soluble epoxide hydrolase by FRET-based ACPU displacement assay				J Med Chem 57: 7016-30 (2014) Article DOI: 10.1021/jm500694p BindingDB Entry DOI: 10.7270/Q2FJ2JJQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50590672 (CHEMBL5184712) Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1CCCN1CCN(CC1)c1ccc(Cl)cc1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00633 BindingDB Entry DOI: 10.7270/Q26M3BS8
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM408982 (US10377744, Compound No. 3 | US11123311, Compound ...) Show SMILES FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)c2ccoc2)cc1 Show InChI InChI=1S/C18H18F3N3O4/c19-18(20,21)28-15-3-1-13(2-4-15)22-17(26)23-14-5-8-24(9-6-14)16(25)12-7-10-27-11-12/h1-4,7,10-11,14H,5-6,8-9H2,(H2,22,23,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human sEH expressed in baculovirus expression system assessed as reduction in ACPU binding incubated for 1 hr by FRET displ...				Citation and Details Article DOI: 10.1016/j.bmc.2020.115735 BindingDB Entry DOI: 10.7270/Q2SF30T4
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50100534 (CHEMBL3327074) Show SMILES CCC(C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C18H24F3N3O3/c1-3-12(2)16(25)24-10-8-14(9-11-24)23-17(26)22-13-4-6-15(7-5-13)27-18(19,20)21/h4-7,12,14H,3,8-11H2,1-2H3,(H2,22,23,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.360	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 Inhibition of human recombinant soluble epoxide hydrolase by FRET-based ACPU displacement assay				J Med Chem 57: 7016-30 (2014) Article DOI: 10.1021/jm500694p BindingDB Entry DOI: 10.7270/Q2FJ2JJQ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50100541 (CHEMBL3327066) Show SMILES CCC(C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C18H24F3N3O2/c1-3-12(2)16(25)24-10-8-15(9-11-24)23-17(26)22-14-6-4-13(5-7-14)18(19,20)21/h4-7,12,15H,3,8-11H2,1-2H3,(H2,22,23,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.370	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 Inhibition of human recombinant soluble epoxide hydrolase by FRET-based ACPU displacement assay				J Med Chem 57: 7016-30 (2014) Article DOI: 10.1021/jm500694p BindingDB Entry DOI: 10.7270/Q2FJ2JJQ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM409014 (US10377744, Compound No. 34 | US10377744, Syn34 | ...) Show SMILES CC[C@H](C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(c(F)c1)C(F)(F)F |r| Show InChI InChI=1S/C18H23F4N3O2/c1-3-11(2)16(26)25-8-6-12(7-9-25)23-17(27)24-13-4-5-14(15(19)10-13)18(20,21)22/h4-5,10-12H,3,6-9H2,1-2H3,(H2,23,24,27)/t11-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to purified recombinant human sEH by FRET-displacement assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01886 BindingDB Entry DOI: 10.7270/Q22V2KSZ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM409014 (US10377744, Compound No. 34 | US10377744, Syn34 | ...) Show SMILES CC[C@H](C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(c(F)c1)C(F)(F)F |r| Show InChI InChI=1S/C18H23F4N3O2/c1-3-11(2)16(26)25-8-6-12(7-9-25)23-17(27)24-13-4-5-14(15(19)10-13)18(20,21)22/h4-5,10-12H,3,6-9H2,1-2H3,(H2,23,24,27)/t11-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human sEH expressed in baculovirus expression system assessed as reduction in ACPU binding incubated for 1 hr by FRET displ...				Citation and Details Article DOI: 10.1016/j.bmc.2020.115735 BindingDB Entry DOI: 10.7270/Q2SF30T4
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM409021 (US10377744, Compound No. 41 | US11123311, Compound...) Show SMILES CCOC(=O)N1CCC(CC1)NC(=O)Nc1ccc(c(F)c1)C(F)(F)F Show InChI InChI=1S/C16H19F4N3O3/c1-2-26-15(25)23-7-5-10(6-8-23)21-14(24)22-11-3-4-12(13(17)9-11)16(18,19)20/h3-4,9-10H,2,5-8H2,1H3,(H2,21,22,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human sEH expressed in baculovirus expression system assessed as reduction in ACPU binding incubated for 1 hr by FRET displ...				Citation and Details Article DOI: 10.1016/j.bmc.2020.115735 BindingDB Entry DOI: 10.7270/Q2SF30T4
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM409012 (US10377744, Compound No. 32 | US11123311, Compound...) Show SMILES Fc1cc(NC(=O)NC2CCN(CC2)C(=O)C2CC2)ccc1C(F)(F)F Show InChI InChI=1S/C17H19F4N3O2/c18-14-9-12(3-4-13(14)17(19,20)21)23-16(26)22-11-5-7-24(8-6-11)15(25)10-1-2-10/h3-4,9-11H,1-2,5-8H2,(H2,22,23,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human sEH expressed in baculovirus expression system assessed as reduction in ACPU binding incubated for 1 hr by FRET displ...				Citation and Details Article DOI: 10.1016/j.bmc.2020.115735 BindingDB Entry DOI: 10.7270/Q2SF30T4
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50100539 (CHEMBL3327069) Show SMILES FC(F)(F)CC(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C16H17F6N3O2/c17-15(18,19)9-13(26)25-7-5-12(6-8-25)24-14(27)23-11-3-1-10(2-4-11)16(20,21)22/h1-4,12H,5-9H2,(H2,23,24,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.430	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 Inhibition of human recombinant soluble epoxide hydrolase by FRET-based ACPU displacement assay				J Med Chem 57: 7016-30 (2014) Article DOI: 10.1021/jm500694p BindingDB Entry DOI: 10.7270/Q2FJ2JJQ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50100522 (CHEMBL3327087) Show SMILES CCCCS(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C17H24F3N3O4S/c1-2-3-12-28(25,26)23-10-8-14(9-11-23)22-16(24)21-13-4-6-15(7-5-13)27-17(18,19)20/h4-7,14H,2-3,8-12H2,1H3,(H2,21,22,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.440	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 Inhibition of human recombinant soluble epoxide hydrolase by FRET-based ACPU displacement assay				J Med Chem 57: 7016-30 (2014) Article DOI: 10.1021/jm500694p BindingDB Entry DOI: 10.7270/Q2FJ2JJQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50590630 (CHEMBL5181992) Show SMILES CN1CCc2cccc-3c2C1Cc1ccc(C)c(O)c-31 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00633 BindingDB Entry DOI: 10.7270/Q26M3BS8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50001775 ((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...) Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00633 BindingDB Entry DOI: 10.7270/Q26M3BS8
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM408999 (US10377744, Compound No. 20 | US11123311, Compound...) Show SMILES CC(C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(c(F)c1)C(F)(F)F Show InChI InChI=1S/C17H21F4N3O2/c1-10(2)15(25)24-7-5-11(6-8-24)22-16(26)23-12-3-4-13(14(18)9-12)17(19,20)21/h3-4,9-11H,5-8H2,1-2H3,(H2,22,23,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human sEH expressed in baculovirus expression system assessed as reduction in ACPU binding incubated for 1 hr by FRET displ...				Citation and Details Article DOI: 10.1016/j.bmc.2020.115735 BindingDB Entry DOI: 10.7270/Q2SF30T4
					More data for this Ligand-Target Pair

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