Compile Data Set for Download or QSAR

Found 28 hits Enz. Inhib. hit(s) with all data for entry = 50007759   

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
Methionine aminopeptidase 2 (Homo sapiens (Human))	BDBM50512383 (CHEMBL137766) Show SMILES [H][C@@]1([#6@H](-[#8]-[#6])-[#6@@H](-[#6]-[#6][C@]11[#6]-[#8]1)-[#8]-[#6](=O)\[#6]=[#6]\c1cc(-[#8]-[#6])c(-[#8]-[#6])c(-[#8]-[#6])c1)[C@@]1([#6])[#8]-[#6@@H]1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C28H38O8/c1-17(2)8-10-22-27(3,36-22)26-25(33-7)19(12-13-28(26)16-34-28)35-23(29)11-9-18-14-20(30-4)24(32-6)21(15-18)31-5/h8-9,11,14-15,19,22,25-26H,10,12-13,16H2,1-7H3/b11-9+/t19-,22-,25-,26-,27+,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.960	n/a	n/a	n/a	n/a	n/a	n/a
Northwest University Curated by ChEMBL					Assay Description Inhibition of human MetAP2				Eur J Med Chem 173: 213-227 (2019) Article DOI: 10.1016/j.ejmech.2019.04.009 BindingDB Entry DOI: 10.7270/Q26M3B56
					More data for this Ligand-Target Pair
Methionine aminopeptidase 2 (Homo sapiens (Human))	BDBM50147349 ((R)-3-(S)-Amino-2-hydroxy-5-phenyl-pentanoic acid ...) Show SMILES COc1cc(\C=C\C(=O)Nc2ccc(NC(=O)[C@@H](O)[C@H](N)CCc3ccccc3)cc2)cc(OC)c1OC Show InChI InChI=1S/C29H33N3O6/c1-36-24-17-20(18-25(37-2)28(24)38-3)10-16-26(33)31-21-11-13-22(14-12-21)32-29(35)27(34)23(30)15-9-19-7-5-4-6-8-19/h4-8,10-14,16-18,23,27,34H,9,15,30H2,1-3H3,(H,31,33)(H,32,35)/b16-10+/t23-,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Northwest University Curated by ChEMBL					Assay Description Inhibition of human MetAP2				Eur J Med Chem 173: 213-227 (2019) Article DOI: 10.1016/j.ejmech.2019.04.009 BindingDB Entry DOI: 10.7270/Q26M3B56
					More data for this Ligand-Target Pair
Methionine aminopeptidase 2 (Homo sapiens (Human))	BDBM50147344 ((2S,3R)-3-Amino-4-cyclohexyl-2-hydroxy-N-{4-[3-(3,...) Show SMILES COc1cc(\C=C\C(=O)Nc2ccc(NC(=O)[C@@H](O)[C@H](N)CC3CCCCC3)cc2)cc(OC)c1OC Show InChI InChI=1S/C28H37N3O6/c1-35-23-16-19(17-24(36-2)27(23)37-3)9-14-25(32)30-20-10-12-21(13-11-20)31-28(34)26(33)22(29)15-18-7-5-4-6-8-18/h9-14,16-18,22,26,33H,4-8,15,29H2,1-3H3,(H,30,32)(H,31,34)/b14-9+/t22-,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	177	n/a	n/a	n/a	n/a	n/a	n/a
Northwest University Curated by ChEMBL					Assay Description Inhibition of human MetAP2				Eur J Med Chem 173: 213-227 (2019) Article DOI: 10.1016/j.ejmech.2019.04.009 BindingDB Entry DOI: 10.7270/Q26M3B56
					More data for this Ligand-Target Pair
Methionine aminopeptidase 2 (Homo sapiens (Human))	BDBM50147357 ((R)-3-(S)-Amino-2-hydroxy-4-phenyl-N-{4-[3-((E)-3,...) Show SMILES COc1cc(\C=C\C(=O)Nc2ccc(NC(=O)[C@@H](O)[C@H](N)Cc3ccccc3)cc2)cc(OC)c1OC Show InChI InChI=1S/C28H31N3O6/c1-35-23-16-19(17-24(36-2)27(23)37-3)9-14-25(32)30-20-10-12-21(13-11-20)31-28(34)26(33)22(29)15-18-7-5-4-6-8-18/h4-14,16-17,22,26,33H,15,29H2,1-3H3,(H,30,32)(H,31,34)/b14-9+/t22-,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	755	n/a	n/a	n/a	n/a	n/a	n/a
Northwest University Curated by ChEMBL					Assay Description Inhibition of human MetAP2				Eur J Med Chem 173: 213-227 (2019) Article DOI: 10.1016/j.ejmech.2019.04.009 BindingDB Entry DOI: 10.7270/Q26M3B56
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM232202 ((E)-N-Octyl-3-(3,4,5-trimethoxyphenyl) acrylamide ...) Show SMILES CCCCCCCCNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C20H31NO4/c1-5-6-7-8-9-10-13-21-19(22)12-11-16-14-17(23-2)20(25-4)18(15-16)24-3/h11-12,14-15H,5-10,13H2,1-4H3,(H,21,22)/b12-11+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Northwest University Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from recombinant human 5-HT1A receptor expressed in CHO-K1 cell membranes after 60 mins by microbeta counting method				Eur J Med Chem 173: 213-227 (2019) Article DOI: 10.1016/j.ejmech.2019.04.009 BindingDB Entry DOI: 10.7270/Q26M3B56
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM232203 ((E)-N-Decyl-3-(3,4,5-trimethoxyphenyl) acrylamide ...) Show SMILES CCCCCCCCCCNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C22H35NO4/c1-5-6-7-8-9-10-11-12-15-23-21(24)14-13-18-16-19(25-2)22(27-4)20(17-18)26-3/h13-14,16-17H,5-12,15H2,1-4H3,(H,23,24)/b14-13+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Northwest University Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from recombinant human 5-HT1A receptor expressed in CHO-K1 cell membranes after 60 mins by microbeta counting method				Eur J Med Chem 173: 213-227 (2019) Article DOI: 10.1016/j.ejmech.2019.04.009 BindingDB Entry DOI: 10.7270/Q26M3B56
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM232204 (3,4,5-Trimethoxycinnamic acid (TMCA)) Show SMILES COc1cc(\C=C\C(O)=O)cc(OC)c1OC Show InChI InChI=1S/C12H14O5/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h4-7H,1-3H3,(H,13,14)/b5-4+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Northwest University Curated by ChEMBL					Assay Description Displacement of [3H]Mesulergine from recombinant human 5-HT2C receptor expressed in CHO-K1 cell membranes after 60 mins				Eur J Med Chem 173: 213-227 (2019) Article DOI: 10.1016/j.ejmech.2019.04.009 BindingDB Entry DOI: 10.7270/Q26M3B56
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM25737 (12-[(adamantan-1-ylcarbamoyl)amino]dodecanoic acid...) Show SMILES OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:25:20:27:24.23.26,25:24:20.21.19:27,THB:23:22:19:24.25.26,23:24:19:22.21.27| Show InChI InChI=1S/C23H40N2O3/c26-21(27)10-8-6-4-2-1-3-5-7-9-11-24-22(28)25-23-15-18-12-19(16-23)14-20(13-18)17-23/h18-20H,1-17H2,(H,26,27)(H2,24,25,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Northwest University Curated by ChEMBL					Assay Description Competitive inhibition of soluble epoxide hydrolase (unknown origin)				Eur J Med Chem 173: 213-227 (2019) Article DOI: 10.1016/j.ejmech.2019.04.009 BindingDB Entry DOI: 10.7270/Q26M3B56
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM232203 ((E)-N-Decyl-3-(3,4,5-trimethoxyphenyl) acrylamide ...) Show SMILES CCCCCCCCCCNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C22H35NO4/c1-5-6-7-8-9-10-11-12-15-23-21(24)14-13-18-16-19(25-2)22(27-4)20(17-18)26-3/h13-14,16-17H,5-12,15H2,1-4H3,(H,23,24)/b14-13+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Northwest University Curated by ChEMBL					Assay Description Displacement of [3H]Mesulergine from recombinant human 5-HT2C receptor expressed in CHO-K1 cell membranes after 60 mins				Eur J Med Chem 173: 213-227 (2019) Article DOI: 10.1016/j.ejmech.2019.04.009 BindingDB Entry DOI: 10.7270/Q26M3B56
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM232203 ((E)-N-Decyl-3-(3,4,5-trimethoxyphenyl) acrylamide ...) Show SMILES CCCCCCCCCCNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C22H35NO4/c1-5-6-7-8-9-10-11-12-15-23-21(24)14-13-18-16-19(25-2)22(27-4)20(17-18)26-3/h13-14,16-17H,5-12,15H2,1-4H3,(H,23,24)/b14-13+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Northwest University Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5-HT6 receptor expressed in CHO-K1 cell membranes after 60 mins				Eur J Med Chem 173: 213-227 (2019) Article DOI: 10.1016/j.ejmech.2019.04.009 BindingDB Entry DOI: 10.7270/Q26M3B56
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM232203 ((E)-N-Decyl-3-(3,4,5-trimethoxyphenyl) acrylamide ...) Show SMILES CCCCCCCCCCNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C22H35NO4/c1-5-6-7-8-9-10-11-12-15-23-21(24)14-13-18-16-19(25-2)22(27-4)20(17-18)26-3/h13-14,16-17H,5-12,15H2,1-4H3,(H,23,24)/b14-13+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Northwest University Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5-HT7 receptor expressed in CHO-K1 cell membranes after 60 mins				Eur J Med Chem 173: 213-227 (2019) Article DOI: 10.1016/j.ejmech.2019.04.009 BindingDB Entry DOI: 10.7270/Q26M3B56
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50512380 (CHEMBL4565675) Show SMILES COc1ccc(cc1)C(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)\C=C\c2cc(OC)c(OC)c(OC)c2)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C32H40O17/c1-41-18-8-6-17(7-9-18)30(40)45-14-22-24(36)26(38)27(39)31(46-22)49-32(15-34)29(25(37)21(13-33)48-32)47-23(35)10-5-16-11-19(42-2)28(44-4)20(12-16)43-3/h5-12,21-22,24-27,29,31,33-34,36-39H,13-15H2,1-4H3/b10-5+/t21-,22-,24-,25-,26+,27-,29+,31-,32+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Northwest University Curated by ChEMBL					Assay Description Competitive inhibition of soluble epoxide hydrolase (unknown origin)				Eur J Med Chem 173: 213-227 (2019) Article DOI: 10.1016/j.ejmech.2019.04.009 BindingDB Entry DOI: 10.7270/Q26M3B56
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM232203 ((E)-N-Decyl-3-(3,4,5-trimethoxyphenyl) acrylamide ...) Show SMILES CCCCCCCCCCNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C22H35NO4/c1-5-6-7-8-9-10-11-12-15-23-21(24)14-13-18-16-19(25-2)22(27-4)20(17-18)26-3/h13-14,16-17H,5-12,15H2,1-4H3,(H,23,24)/b14-13+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Northwest University Curated by ChEMBL					Assay Description Displacement of [3H]Imipramine from human 5-HT transporter expressed in HEK-293 cell membranes after 30 mins				Eur J Med Chem 173: 213-227 (2019) Article DOI: 10.1016/j.ejmech.2019.04.009 BindingDB Entry DOI: 10.7270/Q26M3B56
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM232203 ((E)-N-Decyl-3-(3,4,5-trimethoxyphenyl) acrylamide ...) Show SMILES CCCCCCCCCCNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C22H35NO4/c1-5-6-7-8-9-10-11-12-15-23-21(24)14-13-18-16-19(25-2)22(27-4)20(17-18)26-3/h13-14,16-17H,5-12,15H2,1-4H3,(H,23,24)/b14-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Northwest University Curated by ChEMBL					Assay Description Displacement of [3H]Ketanserin from recombinant human 5-HT2A receptor expressed in CHO-K1 cell membranes after 60 mins				Eur J Med Chem 173: 213-227 (2019) Article DOI: 10.1016/j.ejmech.2019.04.009 BindingDB Entry DOI: 10.7270/Q26M3B56
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM232204 (3,4,5-Trimethoxycinnamic acid (TMCA)) Show SMILES COc1cc(\C=C\C(O)=O)cc(OC)c1OC Show InChI InChI=1S/C12H14O5/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h4-7H,1-3H3,(H,13,14)/b5-4+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Northwest University Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from recombinant human 5-HT1A receptor expressed in CHO-K1 cell membranes after 60 mins by microbeta counting method				Eur J Med Chem 173: 213-227 (2019) Article DOI: 10.1016/j.ejmech.2019.04.009 BindingDB Entry DOI: 10.7270/Q26M3B56
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM232202 ((E)-N-Octyl-3-(3,4,5-trimethoxyphenyl) acrylamide ...) Show SMILES CCCCCCCCNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C20H31NO4/c1-5-6-7-8-9-10-13-21-19(22)12-11-16-14-17(23-2)20(25-4)18(15-16)24-3/h11-12,14-15H,5-10,13H2,1-4H3,(H,21,22)/b12-11+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Northwest University Curated by ChEMBL					Assay Description Displacement of [3H]Mesulergine from recombinant human 5-HT2C receptor expressed in CHO-K1 cell membranes after 60 mins				Eur J Med Chem 173: 213-227 (2019) Article DOI: 10.1016/j.ejmech.2019.04.009 BindingDB Entry DOI: 10.7270/Q26M3B56
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50512385 (CHEMBL4521296) Show SMILES COc1cc(\C=C\C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(CO)O[C@H]2O[C@H](COC(=O)c3ccc(O)cc3)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1OC |r| Show InChI InChI=1S/C31H38O17/c1-41-18-10-15(11-19(42-2)27(18)43-3)4-9-22(35)46-28-24(37)20(12-32)47-31(28,14-33)48-30-26(39)25(38)23(36)21(45-30)13-44-29(40)16-5-7-17(34)8-6-16/h4-11,20-21,23-26,28,30,32-34,36-39H,12-14H2,1-3H3/b9-4+/t20-,21-,23-,24-,25+,26-,28+,30-,31+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Northwest University Curated by ChEMBL					Assay Description Competitive inhibition of soluble epoxide hydrolase (unknown origin)				Eur J Med Chem 173: 213-227 (2019) Article DOI: 10.1016/j.ejmech.2019.04.009 BindingDB Entry DOI: 10.7270/Q26M3B56
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50512384 (CHEMBL1910917 | Phenyl-3'',4'',5''-Trimethoxycinna...) Show SMILES COc1cc(\C=C\C(=O)Oc2ccccc2)cc(OC)c1OC Show InChI InChI=1S/C18H18O5/c1-20-15-11-13(12-16(21-2)18(15)22-3)9-10-17(19)23-14-7-5-4-6-8-14/h4-12H,1-3H3/b10-9+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Northwest University Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5-HT1A receptor (unknown origin) expressed in CHO-K1 cell membranes after 60 mins by microbeta counting method				Eur J Med Chem 173: 213-227 (2019) Article DOI: 10.1016/j.ejmech.2019.04.009 BindingDB Entry DOI: 10.7270/Q26M3B56
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM232202 ((E)-N-Octyl-3-(3,4,5-trimethoxyphenyl) acrylamide ...) Show SMILES CCCCCCCCNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C20H31NO4/c1-5-6-7-8-9-10-13-21-19(22)12-11-16-14-17(23-2)20(25-4)18(15-16)24-3/h11-12,14-15H,5-10,13H2,1-4H3,(H,21,22)/b12-11+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Northwest University Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5-HT6 receptor expressed in CHO-K1 cell membranes after 60 mins				Eur J Med Chem 173: 213-227 (2019) Article DOI: 10.1016/j.ejmech.2019.04.009 BindingDB Entry DOI: 10.7270/Q26M3B56
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM232204 (3,4,5-Trimethoxycinnamic acid (TMCA)) Show SMILES COc1cc(\C=C\C(O)=O)cc(OC)c1OC Show InChI InChI=1S/C12H14O5/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h4-7H,1-3H3,(H,13,14)/b5-4+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Northwest University Curated by ChEMBL					Assay Description Displacement of [3H]Imipramine from human 5-HT transporter expressed in HEK-293 cell membranes after 30 mins				Eur J Med Chem 173: 213-227 (2019) Article DOI: 10.1016/j.ejmech.2019.04.009 BindingDB Entry DOI: 10.7270/Q26M3B56
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM232204 (3,4,5-Trimethoxycinnamic acid (TMCA)) Show SMILES COc1cc(\C=C\C(O)=O)cc(OC)c1OC Show InChI InChI=1S/C12H14O5/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h4-7H,1-3H3,(H,13,14)/b5-4+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Northwest University Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5-HT7 receptor expressed in CHO-K1 cell membranes after 60 mins				Eur J Med Chem 173: 213-227 (2019) Article DOI: 10.1016/j.ejmech.2019.04.009 BindingDB Entry DOI: 10.7270/Q26M3B56
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM232202 ((E)-N-Octyl-3-(3,4,5-trimethoxyphenyl) acrylamide ...) Show SMILES CCCCCCCCNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C20H31NO4/c1-5-6-7-8-9-10-13-21-19(22)12-11-16-14-17(23-2)20(25-4)18(15-16)24-3/h11-12,14-15H,5-10,13H2,1-4H3,(H,21,22)/b12-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Northwest University Curated by ChEMBL					Assay Description Displacement of [3H]Ketanserin from recombinant human 5-HT2A receptor expressed in CHO-K1 cell membranes after 60 mins				Eur J Med Chem 173: 213-227 (2019) Article DOI: 10.1016/j.ejmech.2019.04.009 BindingDB Entry DOI: 10.7270/Q26M3B56
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM232202 ((E)-N-Octyl-3-(3,4,5-trimethoxyphenyl) acrylamide ...) Show SMILES CCCCCCCCNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C20H31NO4/c1-5-6-7-8-9-10-13-21-19(22)12-11-16-14-17(23-2)20(25-4)18(15-16)24-3/h11-12,14-15H,5-10,13H2,1-4H3,(H,21,22)/b12-11+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Northwest University Curated by ChEMBL					Assay Description Displacement of [3H]Imipramine from human 5-HT transporter expressed in HEK-293 cell membranes after 30 mins				Eur J Med Chem 173: 213-227 (2019) Article DOI: 10.1016/j.ejmech.2019.04.009 BindingDB Entry DOI: 10.7270/Q26M3B56
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM232202 ((E)-N-Octyl-3-(3,4,5-trimethoxyphenyl) acrylamide ...) Show SMILES CCCCCCCCNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C20H31NO4/c1-5-6-7-8-9-10-13-21-19(22)12-11-16-14-17(23-2)20(25-4)18(15-16)24-3/h11-12,14-15H,5-10,13H2,1-4H3,(H,21,22)/b12-11+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Northwest University Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5-HT7 receptor expressed in CHO-K1 cell membranes after 60 mins				Eur J Med Chem 173: 213-227 (2019) Article DOI: 10.1016/j.ejmech.2019.04.009 BindingDB Entry DOI: 10.7270/Q26M3B56
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM232204 (3,4,5-Trimethoxycinnamic acid (TMCA)) Show SMILES COc1cc(\C=C\C(O)=O)cc(OC)c1OC Show InChI InChI=1S/C12H14O5/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h4-7H,1-3H3,(H,13,14)/b5-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Northwest University Curated by ChEMBL					Assay Description Displacement of [3H]Ketanserin from recombinant human 5-HT2A receptor expressed in CHO-K1 cell membranes after 60 mins				Eur J Med Chem 173: 213-227 (2019) Article DOI: 10.1016/j.ejmech.2019.04.009 BindingDB Entry DOI: 10.7270/Q26M3B56
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM232204 (3,4,5-Trimethoxycinnamic acid (TMCA)) Show SMILES COc1cc(\C=C\C(O)=O)cc(OC)c1OC Show InChI InChI=1S/C12H14O5/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h4-7H,1-3H3,(H,13,14)/b5-4+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Northwest University Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5-HT6 receptor expressed in CHO-K1 cell membranes after 60 mins				Eur J Med Chem 173: 213-227 (2019) Article DOI: 10.1016/j.ejmech.2019.04.009 BindingDB Entry DOI: 10.7270/Q26M3B56
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50512381 (CHEMBL4521063) Show SMILES COc1cc(\C=C\C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@]2(CO)O[C@H]2O[C@H](CO)[C@@H](OC(=O)c3ccccc3)[C@H](O)[C@H]2O)cc(OC)c1OC |r| Show InChI InChI=1S/C31H38O16/c1-40-18-11-16(12-19(41-2)26(18)42-3)9-10-22(35)44-28-23(36)20(13-32)46-31(28,15-34)47-30-25(38)24(37)27(21(14-33)43-30)45-29(39)17-7-5-4-6-8-17/h4-12,20-21,23-25,27-28,30,32-34,36-38H,13-15H2,1-3H3/b10-9+/t20-,21-,23-,24-,25-,27-,28+,30-,31-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Northwest University Curated by ChEMBL					Assay Description Competitive inhibition of soluble epoxide hydrolase (unknown origin)				Eur J Med Chem 173: 213-227 (2019) Article DOI: 10.1016/j.ejmech.2019.04.009 BindingDB Entry DOI: 10.7270/Q26M3B56
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50512382 (CHEMBL4444323) Show SMILES COc1cc(\C=C\C(=O)OC[C@H]2O[C@H](O[C@@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3OC(=O)\C=C\c3cc(OC)c(OC)c(OC)c3)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1O |r| Show InChI InChI=1S/C35H44O19/c1-45-19-10-17(11-20(46-2)27(19)40)6-8-25(38)50-15-24-28(41)30(43)31(44)34(51-24)54-35(16-37)33(29(42)23(14-36)53-35)52-26(39)9-7-18-12-21(47-3)32(49-5)22(13-18)48-4/h6-13,23-24,28-31,33-34,36-37,40-44H,14-16H2,1-5H3/b8-6+,9-7+/t23-,24-,28-,29-,30+,31-,33+,34-,35-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.72E+4	n/a	n/a	n/a	n/a	n/a	n/a
Northwest University Curated by ChEMBL					Assay Description Competitive inhibition of soluble epoxide hydrolase (unknown origin)				Eur J Med Chem 173: 213-227 (2019) Article DOI: 10.1016/j.ejmech.2019.04.009 BindingDB Entry DOI: 10.7270/Q26M3B56
					More data for this Ligand-Target Pair