Compile Data Set for Download or QSAR

Found 368 hits with Last Name = 'van der neut' and Initial = 'm'   

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
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50316949 ((3R)-3-((3-((2-oxo-1,2,3,4-tetrahydroquinolin-7-yl...) Show SMILES O=C1Cc2c(N1)ccc1O[C@H](CN3C4CCC3CC(Cc3ccc5CCC(=O)Nc5c3)C4)COc21 |r| Show InChI InChI=1S/C28H31N3O4/c32-26-8-3-18-2-1-16(12-24(18)30-26)9-17-10-19-4-5-20(11-17)31(19)14-21-15-34-28-22-13-27(33)29-23(22)6-7-25(28)35-21/h1-2,6-7,12,17,19-21H,3-5,8-11,13-15H2,(H,29,33)(H,30,32)/t17?,19?,20?,21-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]citalopram form human SRET by liquid scintillation counting				Bioorg Med Chem Lett 20: 2983-6 (2010) Article DOI: 10.1016/j.bmcl.2010.02.105 BindingDB Entry DOI: 10.7270/Q2VH5P0Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50072775 (2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...) Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r| Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products BV Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4992-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.056 BindingDB Entry DOI: 10.7270/Q27S7P0N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50172158 ((S)-N-(1-(4-(4-chloro-2-(2-fluorophenylsulfonyl)ph...) Show SMILES C[C@H](NS(C)(=O)=O)c1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)c1ccccc1F Show InChI InChI=1S/C21H19ClFNO6S3/c1-14(24-31(2,25)26)15-7-10-17(11-8-15)32(27,28)20-12-9-16(22)13-21(20)33(29,30)19-6-4-3-5-18(19)23/h3-14,24H,1-2H3/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 1084-9 (2010) Article DOI: 10.1016/j.bmcl.2009.12.032 BindingDB Entry DOI: 10.7270/Q22J6CTB
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50302225 ((1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl...) Show SMILES CN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 |r| Show InChI InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]citalopram form human SRET by liquid scintillation counting				Bioorg Med Chem Lett 20: 2983-6 (2010) Article DOI: 10.1016/j.bmcl.2010.02.105 BindingDB Entry DOI: 10.7270/Q2VH5P0Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50309538 (5-Ethyl-2-methyl-1-phenyl-1H-imidazole-4-carboxyli...) Show SMILES CCc1c(nc(C)n1-c1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:16:17:20.19.24:22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17,16:17:20:24.23.22| Show InChI InChI=1S/C23H29N3O/c1-3-20-21(24-15(2)26(20)19-7-5-4-6-8-19)22(27)25-23-12-16-9-17(13-23)11-18(10-16)14-23/h4-8,16-18H,3,9-14H2,1-2H3,(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.03	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 1084-9 (2010) Article DOI: 10.1016/j.bmcl.2009.12.032 BindingDB Entry DOI: 10.7270/Q22J6CTB
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50072775 (2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...) Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r| Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products BV Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4992-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.056 BindingDB Entry DOI: 10.7270/Q27S7P0N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50316948 ((R)-7-[8-(2-Oxo-1,2,3,4-tetrahydro-quinolin-7-ylme...) Show SMILES O=C1Cc2c(N1)ccc1O[C@H](CN3CC4CCC(C3)C4Cc3ccc4CCC(=O)Nc4c3)COc21 |r| Show InChI InChI=1S/C28H31N3O4/c32-26-8-5-17-2-1-16(10-24(17)30-26)9-21-18-3-4-19(21)13-31(12-18)14-20-15-34-28-22-11-27(33)29-23(22)6-7-25(28)35-20/h1-2,6-7,10,18-21H,3-5,8-9,11-15H2,(H,29,33)(H,30,32)/t18?,19?,20-,21?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]citalopram form human SRET by liquid scintillation counting				Bioorg Med Chem Lett 20: 2983-6 (2010) Article DOI: 10.1016/j.bmcl.2010.02.105 BindingDB Entry DOI: 10.7270/Q2VH5P0Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50159929 (CHEMBL3786752) Show SMILES CCN\C(=N/S(=O)(=O)c1ccc(N)c(Cl)c1)N1CC(CC)C=N1 |c:22| Show InChI InChI=1S/C14H20ClN5O2S/c1-3-10-8-18-20(9-10)14(17-4-2)19-23(21,22)11-5-6-13(16)12(15)7-11/h5-8,10H,3-4,9,16H2,1-2H3,(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products B.V. Curated by ChEMBL					Assay Description Displacement of [3H]-N-Methyl-Lysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation count...				Bioorg Med Chem Lett 26: 1605-11 (2016) Article DOI: 10.1016/j.bmcl.2016.02.001 BindingDB Entry DOI: 10.7270/Q2JS9SBX
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50309540 (2-Ethyl-5-methyl-1-phenyl-1H-imidazole-4-carboxyli...) Show SMILES CCc1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(C)n1-c1ccccc1 |TLB:7:8:11.10.15:13,THB:9:10:13:17.8.16,9:8:11.10.15:13,16:8:11:15.14.13,16:14:11:17.9.8,7:8:11:15.14.13| Show InChI InChI=1S/C23H29N3O/c1-3-20-24-21(15(2)26(20)19-7-5-4-6-8-19)22(27)25-23-12-16-9-17(13-23)11-18(10-16)14-23/h4-8,16-18H,3,9-14H2,1-2H3,(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 1084-9 (2010) Article DOI: 10.1016/j.bmcl.2009.12.032 BindingDB Entry DOI: 10.7270/Q22J6CTB
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50316947 (CHEMBL1087818 | N-(3-(2-(8-((2-oxo-1,2,3,4-tetrahy...) Show SMILES CS(=O)(=O)Nc1cccc(OCCN2CC3CCC(C2)C3Cc2ccc3CCC(=O)Nc3c2)c1 Show InChI InChI=1S/C26H33N3O4S/c1-34(31,32)28-22-3-2-4-23(15-22)33-12-11-29-16-20-7-8-21(17-29)24(20)13-18-5-6-19-9-10-26(30)27-25(19)14-18/h2-6,14-15,20-21,24,28H,7-13,16-17H2,1H3,(H,27,30)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]citalopram form human SRET by liquid scintillation counting				Bioorg Med Chem Lett 20: 2983-6 (2010) Article DOI: 10.1016/j.bmcl.2010.02.105 BindingDB Entry DOI: 10.7270/Q2VH5P0Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50159784 (CHEMBL3785453) Show SMILES CCN\C(=N/S(=O)(=O)c1ccc(N)c(Cl)c1)N1CC2(CCCC2)C=N1 |c:25| Show InChI InChI=1S/C16H22ClN5O2S/c1-2-19-15(22-11-16(10-20-22)7-3-4-8-16)21-25(23,24)12-5-6-14(18)13(17)9-12/h5-6,9-10H,2-4,7-8,11,18H2,1H3,(H,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products B.V. Curated by ChEMBL					Assay Description Displacement of [3H]-N-Methyl-Lysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation count...				Bioorg Med Chem Lett 26: 1605-11 (2016) Article DOI: 10.1016/j.bmcl.2016.02.001 BindingDB Entry DOI: 10.7270/Q2JS9SBX
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50316955 ((R)-3-((4-((2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)...) Show SMILES O=C1Cc2c(N1)ccc1O[C@H](CN3CCC(Cc4ccc5CCC(=O)Nc5c4)CC3)COc21 |r| Show InChI InChI=1S/C26H29N3O4/c30-24-6-3-18-2-1-17(12-22(18)28-24)11-16-7-9-29(10-8-16)14-19-15-32-26-20-13-25(31)27-21(20)4-5-23(26)33-19/h1-2,4-5,12,16,19H,3,6-11,13-15H2,(H,27,31)(H,28,30)/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]citalopram form human SRET by liquid scintillation counting				Bioorg Med Chem Lett 20: 2983-6 (2010) Article DOI: 10.1016/j.bmcl.2010.02.105 BindingDB Entry DOI: 10.7270/Q2VH5P0Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50312822 ((R)-1-(4-chlorophenyl)-N-methyl-5-phenyl-N'-(4-(tr...) Show SMILES CNC(=NS(=O)(=O)N1CCC(CC1)C(F)(F)F)C1=NN([C@H](C1)c1ccccc1)c1ccc(Cl)cc1 |r,w:3.3,t:18| Show InChI InChI=1S/C23H25ClF3N5O2S/c1-28-22(30-35(33,34)31-13-11-17(12-14-31)23(25,26)27)20-15-21(16-5-3-2-4-6-16)32(29-20)19-9-7-18(24)8-10-19/h2-10,17,21H,11-15H2,1H3,(H,28,30)/t21-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human cannabinoid CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 1752-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.049 BindingDB Entry DOI: 10.7270/Q2736RWV
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50316952 ((R)-3-((4-(2-oxo-1,2,3,4-tetrahydroquinolin-7-ylox...) Show SMILES O=C1Cc2c(N1)ccc1O[C@H](CN3CCC(CC3)Oc3ccc4CCC(=O)Nc4c3)COc21 |r| Show InChI InChI=1S/C25H27N3O5/c29-23-6-2-15-1-3-17(11-21(15)27-23)32-16-7-9-28(10-8-16)13-18-14-31-25-19-12-24(30)26-20(19)4-5-22(25)33-18/h1,3-5,11,16,18H,2,6-10,12-14H2,(H,26,30)(H,27,29)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]spiperone form human dopamine D2 receptor by liquid scintillation counting				Bioorg Med Chem Lett 20: 2983-6 (2010) Article DOI: 10.1016/j.bmcl.2010.02.105 BindingDB Entry DOI: 10.7270/Q2VH5P0Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50309534 (2,5-Dimethyl-1-phenyl-1H-imidazole-4-carboxylic ac...) Show SMILES Cc1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(C)n1-c1ccccc1 |THB:12:11:8:14.13.15,12:13:10.11.16:8,15:13:10:16.7.8,15:7:10:14.12.13,6:7:10:14.12.13| Show InChI InChI=1S/C22H27N3O/c1-14-20(23-15(2)25(14)19-6-4-3-5-7-19)21(26)24-22-11-16-8-17(12-22)10-18(9-16)13-22/h3-7,16-18H,8-13H2,1-2H3,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 1084-9 (2010) Article DOI: 10.1016/j.bmcl.2009.12.032 BindingDB Entry DOI: 10.7270/Q22J6CTB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50354607 (CHEMBL1834337) Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1F)N1CC(CC)C=N1 |w:2.1,c:22| Show InChI InChI=1S/C14H18ClFN4O2S/c1-3-10-8-18-20(9-10)14(17-4-2)19-23(21,22)12-7-5-6-11(15)13(12)16/h5-8,10H,3-4,9H2,1-2H3,(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products B.V. Curated by ChEMBL					Assay Description Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting				J Med Chem 54: 7030-54 (2011) Article DOI: 10.1021/jm200466r BindingDB Entry DOI: 10.7270/Q2J103JB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50354585 (CHEMBL1834226) Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC(CC)C=N1 |w:2.1,c:21| Show InChI InChI=1S/C14H19ClN4O2S/c1-3-11-9-17-19(10-11)14(16-4-2)18-22(20,21)13-7-5-6-12(15)8-13/h5-9,11H,3-4,10H2,1-2H3,(H,16,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products B.V. Curated by ChEMBL					Assay Description Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting				J Med Chem 54: 7030-54 (2011) Article DOI: 10.1021/jm200466r BindingDB Entry DOI: 10.7270/Q2J103JB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50354585 (CHEMBL1834226) Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC(CC)C=N1 |w:2.1,c:21| Show InChI InChI=1S/C14H19ClN4O2S/c1-3-11-9-17-19(10-11)14(16-4-2)18-22(20,21)13-7-5-6-12(15)8-13/h5-9,11H,3-4,10H2,1-2H3,(H,16,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products B.V. Curated by ChEMBL					Assay Description Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting				J Med Chem 54: 7030-54 (2011) Article DOI: 10.1021/jm200466r BindingDB Entry DOI: 10.7270/Q2J103JB
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50317250 (5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(methy...) Show SMILES CSc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCC1 Show InChI InChI=1S/C21H19Cl3N4OS/c1-30-20-18(21(29)26-27-10-2-3-11-27)25-28(17-9-8-15(23)12-16(17)24)19(20)13-4-6-14(22)7-5-13/h4-9,12H,2-3,10-11H2,1H3,(H,26,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 2770-5 (2010) Article DOI: 10.1016/j.bmcl.2010.03.068 BindingDB Entry DOI: 10.7270/Q2XG9S33
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]spiperone form human dopamine D2 receptor by liquid scintillation counting				Bioorg Med Chem Lett 20: 2983-6 (2010) Article DOI: 10.1016/j.bmcl.2010.02.105 BindingDB Entry DOI: 10.7270/Q2VH5P0Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50303835 (3-(4-Chlorophenyl)-N'-((4-chlorophenyl)sulfonyl)-N...) Show SMILES CN(C)CCCN=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:6.5,c:23| Show InChI InChI=1S/C27H29Cl2N5O2S/c1-33(2)18-6-17-30-27(32-37(35,36)24-15-13-23(29)14-16-24)34-19-25(20-7-4-3-5-8-20)26(31-34)21-9-11-22(28)12-10-21/h3-5,7-16,25H,6,17-19H2,1-2H3,(H,30,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cells				J Med Chem 53: 1338-46 (2010) Article DOI: 10.1021/jm901614b BindingDB Entry DOI: 10.7270/Q2WQ03WT
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50325599 (3-Pentyl-4-phenyl-4,5-dihydro-pyrazole-1-carboxyli...) Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)NC(C)(C)c1ccccc1 |t:5| Show InChI InChI=1S/C24H31N3O/c1-4-5-8-17-22-21(19-13-9-6-10-14-19)18-27(26-22)23(28)25-24(2,3)20-15-11-7-12-16-20/h6-7,9-16,21H,4-5,8,17-18H2,1-3H3,(H,25,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products BV Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4992-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.056 BindingDB Entry DOI: 10.7270/Q27S7P0N
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50325587 (3-butyl-5,5-dimethyl-4-phenyl-N-((1R,2S,4R)-1,7,7-...) Show SMILES CCCCC1=NN(C(=O)N[C@H]2C[C@H]3CC[C@]2(C)C3(C)C)C(C)(C)C1c1ccccc1 |r,t:4| Show InChI InChI=1S/C26H39N3O/c1-7-8-14-20-22(18-12-10-9-11-13-18)25(4,5)29(28-20)23(30)27-21-17-19-15-16-26(21,6)24(19,2)3/h9-13,19,21-22H,7-8,14-17H2,1-6H3,(H,27,30)/t19-,21+,22?,26+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products BV Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4992-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.056 BindingDB Entry DOI: 10.7270/Q27S7P0N
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50309537 (2,5-dimethyl-1-phenyl-N-(2-(trifluoromethyl)benzyl...) Show SMILES Cc1nc(C(=O)NCc2ccccc2C(F)(F)F)c(C)n1-c1ccccc1 Show InChI InChI=1S/C20H18F3N3O/c1-13-18(25-14(2)26(13)16-9-4-3-5-10-16)19(27)24-12-15-8-6-7-11-17(15)20(21,22)23/h3-11H,12H2,1-2H3,(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 1084-9 (2010) Article DOI: 10.1016/j.bmcl.2009.12.032 BindingDB Entry DOI: 10.7270/Q22J6CTB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50354608 (CHEMBL1834342) Show SMILES CCN=C(NS(=O)(=O)c1ccc(Cl)s1)N1CC(CC)C=N1 |w:2.1,c:20| Show InChI InChI=1S/C12H17ClN4O2S2/c1-3-9-7-15-17(8-9)12(14-4-2)16-21(18,19)11-6-5-10(13)20-11/h5-7,9H,3-4,8H2,1-2H3,(H,14,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products B.V. Curated by ChEMBL					Assay Description Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting				J Med Chem 54: 7030-54 (2011) Article DOI: 10.1021/jm200466r BindingDB Entry DOI: 10.7270/Q2J103JB
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50325590 (1-pentyl-5-phenyl-N-((1R,2S,4R)-1,7,7-trimethylbic...) Show SMILES CCCCCN1N=C(CC1c1ccccc1)C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C |r,c:6,THB:18:19:26:22.23| Show InChI InChI=1S/C25H37N3O/c1-5-6-10-15-28-21(18-11-8-7-9-12-18)17-20(27-28)23(29)26-22-16-19-13-14-25(22,4)24(19,2)3/h7-9,11-12,19,21-22H,5-6,10,13-17H2,1-4H3,(H,26,29)/t19-,21?,22+,25+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products BV Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4992-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.056 BindingDB Entry DOI: 10.7270/Q27S7P0N
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50312833 ((S)-3-(4-chlorophenyl)-N-methyl-4-phenyl-N'-(4-(tr...) Show SMILES CNC(=NS(=O)(=O)N1CCC(CC1)C(F)(F)F)N1C[C@@H](C(=N1)c1ccc(Cl)cc1)c1ccccc1 |r,w:3.3,c:21| Show InChI InChI=1S/C23H25ClF3N5O2S/c1-28-22(30-35(33,34)31-13-11-18(12-14-31)23(25,26)27)32-15-20(16-5-3-2-4-6-16)21(29-32)17-7-9-19(24)10-8-17/h2-10,18,20H,11-15H2,1H3,(H,28,30)/t20-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human cannabinoid CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 1752-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.049 BindingDB Entry DOI: 10.7270/Q2736RWV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50159769 (CHEMBL3785100) Show SMILES CCN\C(=N/S(=O)(=O)c1ccc2[nH]ccc2c1)N1CC2(CCCC2)C=N1 |c:27| Show InChI InChI=1S/C18H23N5O2S/c1-2-19-17(23-13-18(12-21-23)8-3-4-9-18)22-26(24,25)15-5-6-16-14(11-15)7-10-20-16/h5-7,10-12,20H,2-4,8-9,13H2,1H3,(H,19,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products B.V. Curated by ChEMBL					Assay Description Displacement of [3H]-N-Methyl-Lysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation count...				Bioorg Med Chem Lett 26: 1605-11 (2016) Article DOI: 10.1016/j.bmcl.2016.02.001 BindingDB Entry DOI: 10.7270/Q2JS9SBX
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50316946 (CHEMBL1087585 | N-(2-fluoro-5-(2-(8-((2-oxo-1,2,3,...) Show SMILES CS(=O)(=O)Nc1cc(OCCN2CC3CCC(C2)C3Cc2ccc3CCC(=O)Nc3c2)ccc1F Show InChI InChI=1S/C26H32FN3O4S/c1-35(32,33)29-25-14-21(7-8-23(25)27)34-11-10-30-15-19-4-5-20(16-30)22(19)12-17-2-3-18-6-9-26(31)28-24(18)13-17/h2-3,7-8,13-14,19-20,22,29H,4-6,9-12,15-16H2,1H3,(H,28,31)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]citalopram form human SRET by liquid scintillation counting				Bioorg Med Chem Lett 20: 2983-6 (2010) Article DOI: 10.1016/j.bmcl.2010.02.105 BindingDB Entry DOI: 10.7270/Q2VH5P0Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50354609 (CHEMBL1834348) Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC2(CCCCC2)C=N1 |w:2.1,c:25| Show InChI InChI=1S/C17H23ClN4O2S/c1-2-19-16(21-25(23,24)15-8-6-7-14(18)11-15)22-13-17(12-20-22)9-4-3-5-10-17/h6-8,11-12H,2-5,9-10,13H2,1H3,(H,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products B.V. Curated by ChEMBL					Assay Description Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting				J Med Chem 54: 7030-54 (2011) Article DOI: 10.1021/jm200466r BindingDB Entry DOI: 10.7270/Q2J103JB
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50325584 ((+)-3-pentyl-4-phenyl-N-((1R,2S,4S)-1,7,7-trimethy...) Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C |r,t:5| Show InChI InChI=1S/C25H37N3O/c1-5-6-8-13-21-20(18-11-9-7-10-12-18)17-28(27-21)23(29)26-22-16-19-14-15-25(22,4)24(19,2)3/h7,9-12,19-20,22H,5-6,8,13-17H2,1-4H3,(H,26,29)/t19-,20?,22+,25+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products BV Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4992-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.056 BindingDB Entry DOI: 10.7270/Q27S7P0N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50354610 (CHEMBL1834338) Show SMILES CCN=C(NS(=O)(=O)c1cccc2ccccc12)N1CC(CC)C=N1 |w:2.1,c:25| Show InChI InChI=1S/C18H22N4O2S/c1-3-14-12-20-22(13-14)18(19-4-2)21-25(23,24)17-11-7-9-15-8-5-6-10-16(15)17/h5-12,14H,3-4,13H2,1-2H3,(H,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products B.V. Curated by ChEMBL					Assay Description Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting				J Med Chem 54: 7030-54 (2011) Article DOI: 10.1021/jm200466r BindingDB Entry DOI: 10.7270/Q2J103JB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50159783 (CHEMBL3787201) Show SMILES CCN\C(=N/S(=O)(=O)c1ccc(O)cc1)N1CC2(CCCC2)C=N1 |c:24| Show InChI InChI=1S/C16H22N4O3S/c1-2-17-15(20-12-16(11-18-20)9-3-4-10-16)19-24(22,23)14-7-5-13(21)6-8-14/h5-8,11,21H,2-4,9-10,12H2,1H3,(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products B.V. Curated by ChEMBL					Assay Description Displacement of [3H]-N-Methyl-Lysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation count...				Bioorg Med Chem Lett 26: 1605-11 (2016) Article DOI: 10.1016/j.bmcl.2016.02.001 BindingDB Entry DOI: 10.7270/Q2JS9SBX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50159754 (CHEMBL3785512) Show SMILES CCN\C(=N/S(=O)(=O)c1cc(O)cc(Cl)c1)N1CC2(CCCC2)C=N1 |c:25| Show InChI InChI=1S/C16H21ClN4O3S/c1-2-18-15(21-11-16(10-19-21)5-3-4-6-16)20-25(23,24)14-8-12(17)7-13(22)9-14/h7-10,22H,2-6,11H2,1H3,(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products B.V. Curated by ChEMBL					Assay Description Displacement of [3H]-N-Methyl-Lysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation count...				Bioorg Med Chem Lett 26: 1605-11 (2016) Article DOI: 10.1016/j.bmcl.2016.02.001 BindingDB Entry DOI: 10.7270/Q2JS9SBX
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50325591 (5-(2-fluorophenyl)-1-pentyl-N-((1R,2S,4R)-1,7,7-tr...) Show SMILES CCCCCN1N=C(CC1c1ccccc1F)C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C |r,c:6,THB:19:20:27:23.24| Show InChI InChI=1S/C25H36FN3O/c1-5-6-9-14-29-21(18-10-7-8-11-19(18)26)16-20(28-29)23(30)27-22-15-17-12-13-25(22,4)24(17,2)3/h7-8,10-11,17,21-22H,5-6,9,12-16H2,1-4H3,(H,27,30)/t17-,21?,22+,25+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products BV Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4992-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.056 BindingDB Entry DOI: 10.7270/Q27S7P0N
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50316948 ((R)-7-[8-(2-Oxo-1,2,3,4-tetrahydro-quinolin-7-ylme...) Show SMILES O=C1Cc2c(N1)ccc1O[C@H](CN3CC4CCC(C3)C4Cc3ccc4CCC(=O)Nc4c3)COc21 |r| Show InChI InChI=1S/C28H31N3O4/c32-26-8-5-17-2-1-16(10-24(17)30-26)9-21-18-3-4-19(21)13-31(12-18)14-20-15-34-28-22-11-27(33)29-23(22)6-7-25(28)35-20/h1-2,6-7,10,18-21H,3-5,8-9,11-15H2,(H,29,33)(H,30,32)/t18?,19?,20-,21?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]spiperone form human dopamine D2 receptor by liquid scintillation counting				Bioorg Med Chem Lett 20: 2983-6 (2010) Article DOI: 10.1016/j.bmcl.2010.02.105 BindingDB Entry DOI: 10.7270/Q2VH5P0Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50325597 (3-Pentyl-4-phenyl-4,5-dihydro-pyraz ole-1-carboxyl...) Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)NC1C2CC3CC(C2)CC1C3 |t:5,TLB:28:27:25:21.22.23,THB:28:22:19.27.26:25,23:22:19:26.24.25,23:24:19:21.28.22,18:19:25:21.22.23,(10.83,-.95,;12.36,-.79,;13.27,-2.03,;14.8,-1.87,;15.71,-3.12,;17.24,-2.96,;18.27,-4.1,;19.67,-3.48,;19.51,-1.94,;18.01,-1.62,;17.38,-.22,;18.29,1.03,;17.66,2.44,;16.13,2.6,;15.22,1.35,;15.85,-.06,;21.01,-4.25,;21.01,-5.79,;22.34,-3.47,;23.84,-3.82,;25.59,-3.75,;26.2,-5.02,;27.44,-5.75,;28.52,-4.67,;27.92,-3.29,;26.63,-2.68,;26.32,-3.44,;25.21,-4.58,;25.82,-5.96,)| Show InChI InChI=1S/C25H35N3O/c1-2-3-5-10-23-22(19-8-6-4-7-9-19)16-28(27-23)25(29)26-24-20-12-17-11-18(14-20)15-21(24)13-17/h4,6-9,17-18,20-22,24H,2-3,5,10-16H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products BV Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4992-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.056 BindingDB Entry DOI: 10.7270/Q27S7P0N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50354611 (CHEMBL1834347) Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC2(CCCC2)C=N1 |w:2.1,c:24| Show InChI InChI=1S/C16H21ClN4O2S/c1-2-18-15(21-12-16(11-19-21)8-3-4-9-16)20-24(22,23)14-7-5-6-13(17)10-14/h5-7,10-11H,2-4,8-9,12H2,1H3,(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products B.V. Curated by ChEMBL					Assay Description Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting				J Med Chem 54: 7030-54 (2011) Article DOI: 10.1021/jm200466r BindingDB Entry DOI: 10.7270/Q2J103JB
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50325597 (3-Pentyl-4-phenyl-4,5-dihydro-pyraz ole-1-carboxyl...) Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)NC1C2CC3CC(C2)CC1C3 |t:5,TLB:28:27:25:21.22.23,THB:28:22:19.27.26:25,23:22:19:26.24.25,23:24:19:21.28.22,18:19:25:21.22.23,(10.83,-.95,;12.36,-.79,;13.27,-2.03,;14.8,-1.87,;15.71,-3.12,;17.24,-2.96,;18.27,-4.1,;19.67,-3.48,;19.51,-1.94,;18.01,-1.62,;17.38,-.22,;18.29,1.03,;17.66,2.44,;16.13,2.6,;15.22,1.35,;15.85,-.06,;21.01,-4.25,;21.01,-5.79,;22.34,-3.47,;23.84,-3.82,;25.59,-3.75,;26.2,-5.02,;27.44,-5.75,;28.52,-4.67,;27.92,-3.29,;26.63,-2.68,;26.32,-3.44,;25.21,-4.58,;25.82,-5.96,)| Show InChI InChI=1S/C25H35N3O/c1-2-3-5-10-23-22(19-8-6-4-7-9-19)16-28(27-23)25(29)26-24-20-12-17-11-18(14-20)15-21(24)13-17/h4,6-9,17-18,20-22,24H,2-3,5,10-16H2,1H3,(H,26,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products BV Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4992-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.056 BindingDB Entry DOI: 10.7270/Q27S7P0N
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50004108 ((+-)-nicotine | (R,S)-nicotine | (RS)-nicotine | 3...) Show SMILES CN1CCCC1c1cccnc1 Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharmaceuticals Curated by PDSP Ki Database									Bioorg Med Chem Lett 18: 188-93 (2008) Article DOI: 10.1016/j.bmcl.2007.10.101 BindingDB Entry DOI: 10.7270/Q2C827W3
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50316946 (CHEMBL1087585 | N-(2-fluoro-5-(2-(8-((2-oxo-1,2,3,...) Show SMILES CS(=O)(=O)Nc1cc(OCCN2CC3CCC(C2)C3Cc2ccc3CCC(=O)Nc3c2)ccc1F Show InChI InChI=1S/C26H32FN3O4S/c1-35(32,33)29-25-14-21(7-8-23(25)27)34-11-10-30-15-19-4-5-20(16-30)22(19)12-17-2-3-18-6-9-26(31)28-24(18)13-17/h2-3,7-8,13-14,19-20,22,29H,4-6,9-12,15-16H2,1H3,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]spiperone form human dopamine D2 receptor by liquid scintillation counting				Bioorg Med Chem Lett 20: 2983-6 (2010) Article DOI: 10.1016/j.bmcl.2010.02.105 BindingDB Entry DOI: 10.7270/Q2VH5P0Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50159786 (CHEMBL3786693) Show SMILES CCN\C(=N/S(=O)(=O)c1ccc(N)cc1)N1CC2(CCCCC2)C=N1 |c:25| Show InChI InChI=1S/C17H25N5O2S/c1-2-19-16(21-25(23,24)15-8-6-14(18)7-9-15)22-13-17(12-20-22)10-4-3-5-11-17/h6-9,12H,2-5,10-11,13,18H2,1H3,(H,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products B.V. Curated by ChEMBL					Assay Description Displacement of [3H]-N-Methyl-Lysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation count...				Bioorg Med Chem Lett 26: 1605-11 (2016) Article DOI: 10.1016/j.bmcl.2016.02.001 BindingDB Entry DOI: 10.7270/Q2JS9SBX
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50325588 (1-Pentyl-5-phenyl-4,5-dihydro-1H-pyrazole-3-carbox...) Show SMILES CCCCCN1N=C(CC1c1ccccc1)C(=O)NC1C2CC3CC(C2)CC1C3 |c:6,TLB:25:24:28:21.20.19,25:20:23.24.26:28,THB:19:20:23:26.27.28,19:27:23:21.25.20,18:19:23.24.26:28,(-3.84,1.82,;-2.42,1.21,;-2.25,-.31,;-.85,-.92,;-.67,-2.44,;.73,-3.05,;1.06,-4.55,;2.6,-4.7,;3.23,-3.3,;2.07,-2.26,;2.22,-.73,;3.64,-.09,;3.79,1.45,;2.53,2.36,;1.1,1.71,;.96,.17,;3.36,-6.02,;2.6,-7.35,;4.9,-6.02,;6.11,-6.95,;7.55,-6.46,;8.33,-7.66,;8.3,-9.07,;9.89,-9.77,;9.01,-8.5,;9.08,-7,;7.52,-9.02,;6.03,-8.45,;6.91,-9.56,)| Show InChI InChI=1S/C25H35N3O/c1-2-3-7-10-28-23(19-8-5-4-6-9-19)16-22(27-28)25(29)26-24-20-12-17-11-18(14-20)15-21(24)13-17/h4-6,8-9,17-18,20-21,23-24H,2-3,7,10-16H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products BV Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4992-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.056 BindingDB Entry DOI: 10.7270/Q27S7P0N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50354612 (CHEMBL1834350) Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC2(CCNCC2)C=N1 |w:2.1,c:25| Show InChI InChI=1S/C16H22ClN5O2S/c1-2-19-15(21-25(23,24)14-5-3-4-13(17)10-14)22-12-16(11-20-22)6-8-18-9-7-16/h3-5,10-11,18H,2,6-9,12H2,1H3,(H,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products B.V. Curated by ChEMBL					Assay Description Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting				J Med Chem 54: 7030-54 (2011) Article DOI: 10.1021/jm200466r BindingDB Entry DOI: 10.7270/Q2J103JB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50159931 (CHEMBL3785626) Show SMILES CCN\C(=N/S(=O)(=O)c1ccc(N)cc1)N1CC(CC)C=N1 |c:21| Show InChI InChI=1S/C14H21N5O2S/c1-3-11-9-17-19(10-11)14(16-4-2)18-22(20,21)13-7-5-12(15)6-8-13/h5-9,11H,3-4,10,15H2,1-2H3,(H,16,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products B.V. Curated by ChEMBL					Assay Description Displacement of [3H]-N-Methyl-Lysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation count...				Bioorg Med Chem Lett 26: 1605-11 (2016) Article DOI: 10.1016/j.bmcl.2016.02.001 BindingDB Entry DOI: 10.7270/Q2JS9SBX
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50325584 ((+)-3-pentyl-4-phenyl-N-((1R,2S,4S)-1,7,7-trimethy...) Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C |r,t:5| Show InChI InChI=1S/C25H37N3O/c1-5-6-8-13-21-20(18-11-9-7-10-12-18)17-28(27-21)23(29)26-22-16-19-14-15-25(22,4)24(19,2)3/h7,9-12,19-20,22H,5-6,8,13-17H2,1-4H3,(H,26,29)/t19-,20?,22+,25+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products BV Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4992-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.056 BindingDB Entry DOI: 10.7270/Q27S7P0N
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50325584 ((+)-3-pentyl-4-phenyl-N-((1R,2S,4S)-1,7,7-trimethy...) Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C |r,t:5| Show InChI InChI=1S/C25H37N3O/c1-5-6-8-13-21-20(18-11-9-7-10-12-18)17-28(27-21)23(29)26-22-16-19-14-15-25(22,4)24(19,2)3/h7,9-12,19-20,22H,5-6,8,13-17H2,1-4H3,(H,26,29)/t19-,20?,22+,25+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products BV Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4992-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.056 BindingDB Entry DOI: 10.7270/Q27S7P0N
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50325592 (3-Pentyl-4-phenyl-4,5-dihydro-pyrazole-1-carboxyli...) Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)Nc1cccc2ccccc12 |t:5| Show InChI InChI=1S/C25H27N3O/c1-2-3-5-16-24-22(20-11-6-4-7-12-20)18-28(27-24)25(29)26-23-17-10-14-19-13-8-9-15-21(19)23/h4,6-15,17,22H,2-3,5,16,18H2,1H3,(H,26,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products BV Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4992-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.056 BindingDB Entry DOI: 10.7270/Q27S7P0N
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50312831 (3-(4-chlorophenyl)-N'-(4-fluoropiperidin-1-ylsulfo...) Show SMILES CNC(=NS(=O)(=O)N1CCC(F)CC1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:3.3,c:18| Show InChI InChI=1S/C22H25ClFN5O2S/c1-25-22(27-32(30,31)28-13-11-19(24)12-14-28)29-15-20(16-5-3-2-4-6-16)21(26-29)17-7-9-18(23)10-8-17/h2-10,19-20H,11-15H2,1H3,(H,25,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human cannabinoid CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 1752-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.049 BindingDB Entry DOI: 10.7270/Q2736RWV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50312821 ((S)-1-(4-chlorophenyl)-N-methyl-5-phenyl-N'-(4-(tr...) Show SMILES CNC(=NS(=O)(=O)N1CCC(CC1)C(F)(F)F)C1=NN([C@@H](C1)c1ccccc1)c1ccc(Cl)cc1 |r,w:3.3,t:18| Show InChI InChI=1S/C23H25ClF3N5O2S/c1-28-22(30-35(33,34)31-13-11-17(12-14-31)23(25,26)27)20-15-21(16-5-3-2-4-6-16)32(29-20)19-9-7-18(24)8-10-19/h2-10,17,21H,11-15H2,1H3,(H,28,30)/t21-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human cannabinoid CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 1752-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.049 BindingDB Entry DOI: 10.7270/Q2736RWV
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 368 total )  |  Next  |  Last  >>

Jump to: