Compile Data Set for Download or QSAR

Found 207 hits with Last Name = 'villa' and Initial = 'k'   

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 2A (Homo sapiens (Human))	BDBM50409500 (CHEMBL164471 | QF-0703B) Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCC2CCc3occc3C2=O)CC1 Show InChI InChI=1S/C22H23FN2O3/c23-16-2-3-17-20(13-16)28-24-21(17)14-5-9-25(10-6-14)11-7-15-1-4-19-18(22(15)26)8-12-27-19/h2-3,8,12-15H,1,4-7,9-11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.562	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Antagonist activity at human cloned 5HT2A receptor				J Med Chem 51: 6085-94 (2008) Article DOI: 10.1021/jm800602w BindingDB Entry DOI: 10.7270/Q2571D72
					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	0.603	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human cloned dopamine D2 receptor				J Med Chem 51: 6085-94 (2008) Article DOI: 10.1021/jm800602w BindingDB Entry DOI: 10.7270/Q2571D72
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50409500 (CHEMBL164471 | QF-0703B) Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCC2CCc3occc3C2=O)CC1 Show InChI InChI=1S/C22H23FN2O3/c23-16-2-3-17-20(13-16)28-24-21(17)14-5-9-25(10-6-14)11-7-15-1-4-19-18(22(15)26)8-12-27-19/h2-3,8,12-15H,1,4-7,9-11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.724	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human cloned 5HT2A receptor				J Med Chem 51: 6085-94 (2008) Article DOI: 10.1021/jm800602w BindingDB Entry DOI: 10.7270/Q2571D72
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50412720 (CHEMBL461627) Show SMILES COC(=O)c1coc2CC(CN3CCC(CC3)c3noc4cc(F)ccc34)CC(=O)c12 Show InChI InChI=1S/C23H23FN2O5/c1-29-23(28)17-12-30-20-9-13(8-18(27)21(17)20)11-26-6-4-14(5-7-26)22-16-3-2-15(24)10-19(16)31-25-22/h2-3,10,12-14H,4-9,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human cloned 5HT2A receptor				J Med Chem 51: 6085-94 (2008) Article DOI: 10.1021/jm800602w BindingDB Entry DOI: 10.7270/Q2571D72
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50412727 (CHEMBL492689) Show SMILES Fc1ccc2c(noc2c1)C1CCN(C[C@H]2Cc3occc3C(=O)C2)CC1 |r| Show InChI InChI=1S/C21H21FN2O3/c22-15-1-2-17-20(11-15)27-23-21(17)14-3-6-24(7-4-14)12-13-9-18(25)16-5-8-26-19(16)10-13/h1-2,5,8,11,13-14H,3-4,6-7,9-10,12H2/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human cloned 5HT2A receptor				J Med Chem 51: 6085-94 (2008) Article DOI: 10.1021/jm800602w BindingDB Entry DOI: 10.7270/Q2571D72
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50412726 (CHEMBL523680) Show SMILES Fc1ccc2c(noc2c1)C1CCN(C[C@@H]2Cc3occc3C(=O)C2)CC1 |r| Show InChI InChI=1S/C21H21FN2O3/c22-15-1-2-17-20(11-15)27-23-21(17)14-3-6-24(7-4-14)12-13-9-18(25)16-5-8-26-19(16)10-13/h1-2,5,8,11,13-14H,3-4,6-7,9-10,12H2/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human cloned 5HT2A receptor				J Med Chem 51: 6085-94 (2008) Article DOI: 10.1021/jm800602w BindingDB Entry DOI: 10.7270/Q2571D72
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50409063 (CHEMBL143027 | QF-1004B) Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC2Cc3occc3C(=O)C2)CC1 Show InChI InChI=1S/C21H21FN2O3/c22-15-1-2-17-20(11-15)27-23-21(17)14-3-6-24(7-4-14)12-13-9-18(25)16-5-8-26-19(16)10-13/h1-2,5,8,11,13-14H,3-4,6-7,9-10,12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human cloned 5HT2A receptor				J Med Chem 51: 6085-94 (2008) Article DOI: 10.1021/jm800602w BindingDB Entry DOI: 10.7270/Q2571D72
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50412724 (CHEMBL516809 | QF-1068B) Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC2Cc3oc(cc3C(=O)C2)-c2ccccc2)CC1 Show InChI InChI=1S/C27H25FN2O3/c28-20-6-7-21-26(14-20)33-29-27(21)19-8-10-30(11-9-19)16-17-12-23(31)22-15-24(32-25(22)13-17)18-4-2-1-3-5-18/h1-7,14-15,17,19H,8-13,16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.92	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human cloned 5HT2A receptor				J Med Chem 51: 6085-94 (2008) Article DOI: 10.1021/jm800602w BindingDB Entry DOI: 10.7270/Q2571D72
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50412719 (CHEMBL459930) Show SMILES CCOC(=O)c1oc2CC(CN3CCC(CC3)c3noc4cc(F)ccc34)CC(=O)c2c1C Show InChI InChI=1S/C25H27FN2O5/c1-3-31-25(30)24-14(2)22-19(29)10-15(11-21(22)32-24)13-28-8-6-16(7-9-28)23-18-5-4-17(26)12-20(18)33-27-23/h4-5,12,15-16H,3,6-11,13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human cloned 5HT2A receptor				J Med Chem 51: 6085-94 (2008) Article DOI: 10.1021/jm800602w BindingDB Entry DOI: 10.7270/Q2571D72
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50001884 (2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...) Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	9.12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human cloned 5HT2A receptor				J Med Chem 51: 6085-94 (2008) Article DOI: 10.1021/jm800602w BindingDB Entry DOI: 10.7270/Q2571D72
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50001884 (2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...) Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3	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	10.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine from human cloned 5HT2C receptor				J Med Chem 51: 6085-94 (2008) Article DOI: 10.1021/jm800602w BindingDB Entry DOI: 10.7270/Q2571D72
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50409063 (CHEMBL143027 | QF-1004B) Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC2Cc3occc3C(=O)C2)CC1 Show InChI InChI=1S/C21H21FN2O3/c22-15-1-2-17-20(11-15)27-23-21(17)14-3-6-24(7-4-14)12-13-9-18(25)16-5-8-26-19(16)10-13/h1-2,5,8,11,13-14H,3-4,6-7,9-10,12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Antagonist activity at human cloned 5HT2A receptor				J Med Chem 51: 6085-94 (2008) Article DOI: 10.1021/jm800602w BindingDB Entry DOI: 10.7270/Q2571D72
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50412724 (CHEMBL516809 | QF-1068B) Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC2Cc3oc(cc3C(=O)C2)-c2ccccc2)CC1 Show InChI InChI=1S/C27H25FN2O3/c28-20-6-7-21-26(14-20)33-29-27(21)19-8-10-30(11-9-19)16-17-12-23(31)22-15-24(32-25(22)13-17)18-4-2-1-3-5-18/h1-7,14-15,17,19H,8-13,16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12.0	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human cloned dopamine D2 receptor				J Med Chem 51: 6085-94 (2008) Article DOI: 10.1021/jm800602w BindingDB Entry DOI: 10.7270/Q2571D72
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50412726 (CHEMBL523680) Show SMILES Fc1ccc2c(noc2c1)C1CCN(C[C@@H]2Cc3occc3C(=O)C2)CC1 |r| Show InChI InChI=1S/C21H21FN2O3/c22-15-1-2-17-20(11-15)27-23-21(17)14-3-6-24(7-4-14)12-13-9-18(25)16-5-8-26-19(16)10-13/h1-2,5,8,11,13-14H,3-4,6-7,9-10,12H2/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human cloned dopamine D2 receptor				J Med Chem 51: 6085-94 (2008) Article DOI: 10.1021/jm800602w BindingDB Entry DOI: 10.7270/Q2571D72
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50409063 (CHEMBL143027 | QF-1004B) Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC2Cc3occc3C(=O)C2)CC1 Show InChI InChI=1S/C21H21FN2O3/c22-15-1-2-17-20(11-15)27-23-21(17)14-3-6-24(7-4-14)12-13-9-18(25)16-5-8-26-19(16)10-13/h1-2,5,8,11,13-14H,3-4,6-7,9-10,12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human cloned dopamine D2 receptor				J Med Chem 51: 6085-94 (2008) Article DOI: 10.1021/jm800602w BindingDB Entry DOI: 10.7270/Q2571D72
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50412722 (CHEMBL494701 | QF-1064B) Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC2Cc3oc(cc3C(=O)C2)-c2ccccc2)CC1 Show InChI InChI=1S/C27H26FNO3/c28-22-8-6-20(7-9-22)27(31)21-10-12-29(13-11-21)17-18-14-24(30)23-16-25(32-26(23)15-18)19-4-2-1-3-5-19/h1-9,16,18,21H,10-15,17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	17.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human cloned 5HT2A receptor				J Med Chem 51: 6085-94 (2008) Article DOI: 10.1021/jm800602w BindingDB Entry DOI: 10.7270/Q2571D72
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50412721 (CHEMBL494702) Show SMILES CCOC(=O)c1oc2CC(CN3CCC(CC3)C(=O)c3ccc(F)cc3)CC(=O)c2c1C Show InChI InChI=1S/C25H28FNO5/c1-3-31-25(30)24-15(2)22-20(28)12-16(13-21(22)32-24)14-27-10-8-18(9-11-27)23(29)17-4-6-19(26)7-5-17/h4-7,16,18H,3,8-14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	21.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human cloned 5HT2A receptor				J Med Chem 51: 6085-94 (2008) Article DOI: 10.1021/jm800602w BindingDB Entry DOI: 10.7270/Q2571D72
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50412725 (CHEMBL493069) Show SMILES COC(=O)c1coc2CC(CN3CCC(CC3)C(=O)c3ccc(F)cc3)CC(=O)c12 Show InChI InChI=1S/C23H24FNO5/c1-29-23(28)18-13-30-20-11-14(10-19(26)21(18)20)12-25-8-6-16(7-9-25)22(27)15-2-4-17(24)5-3-15/h2-5,13-14,16H,6-12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	25.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human cloned 5HT2A receptor				J Med Chem 51: 6085-94 (2008) Article DOI: 10.1021/jm800602w BindingDB Entry DOI: 10.7270/Q2571D72
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50409490 (CHEMBL159929 | QF-0702B) Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCC2CCc3occc3C2=O)CC1 Show InChI InChI=1S/C22H24FNO3/c23-18-4-1-15(2-5-18)21(25)17-8-12-24(13-9-17)11-7-16-3-6-20-19(22(16)26)10-14-27-20/h1-2,4-5,10,14,16-17H,3,6-9,11-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Antagonist activity at human cloned 5HT2A receptor				J Med Chem 51: 6085-94 (2008) Article DOI: 10.1021/jm800602w BindingDB Entry DOI: 10.7270/Q2571D72
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50409500 (CHEMBL164471 | QF-0703B) Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCC2CCc3occc3C2=O)CC1 Show InChI InChI=1S/C22H23FN2O3/c23-16-2-3-17-20(13-16)28-24-21(17)14-5-9-25(10-6-14)11-7-15-1-4-19-18(22(15)26)8-12-27-19/h2-3,8,12-15H,1,4-7,9-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine from human cloned 5HT2C receptor				J Med Chem 51: 6085-94 (2008) Article DOI: 10.1021/jm800602w BindingDB Entry DOI: 10.7270/Q2571D72
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50412727 (CHEMBL492689) Show SMILES Fc1ccc2c(noc2c1)C1CCN(C[C@H]2Cc3occc3C(=O)C2)CC1 |r| Show InChI InChI=1S/C21H21FN2O3/c22-15-1-2-17-20(11-15)27-23-21(17)14-3-6-24(7-4-14)12-13-9-18(25)16-5-8-26-19(16)10-13/h1-2,5,8,11,13-14H,3-4,6-7,9-10,12H2/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human cloned dopamine D2 receptor				J Med Chem 51: 6085-94 (2008) Article DOI: 10.1021/jm800602w BindingDB Entry DOI: 10.7270/Q2571D72
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50409500 (CHEMBL164471 | QF-0703B) Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCC2CCc3occc3C2=O)CC1 Show InChI InChI=1S/C22H23FN2O3/c23-16-2-3-17-20(13-16)28-24-21(17)14-5-9-25(10-6-14)11-7-15-1-4-19-18(22(15)26)8-12-27-19/h2-3,8,12-15H,1,4-7,9-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	45.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human cloned dopamine D2 receptor				J Med Chem 51: 6085-94 (2008) Article DOI: 10.1021/jm800602w BindingDB Entry DOI: 10.7270/Q2571D72
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50409062 (CHEMBL143022 | QF-1003B) Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC2Cc3occc3C(=O)C2)CC1 Show InChI InChI=1S/C21H22FNO3/c22-17-3-1-15(2-4-17)21(25)16-5-8-23(9-6-16)13-14-11-19(24)18-7-10-26-20(18)12-14/h1-4,7,10,14,16H,5-6,8-9,11-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	52.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Antagonist activity at human cloned 5HT2A receptor				J Med Chem 51: 6085-94 (2008) Article DOI: 10.1021/jm800602w BindingDB Entry DOI: 10.7270/Q2571D72
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50409490 (CHEMBL159929 | QF-0702B) Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCC2CCc3occc3C2=O)CC1 Show InChI InChI=1S/C22H24FNO3/c23-18-4-1-15(2-5-18)21(25)17-8-12-24(13-9-17)11-7-16-3-6-20-19(22(16)26)10-14-27-20/h1-2,4-5,10,14,16-17H,3,6-9,11-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	77.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human cloned 5HT2A receptor				J Med Chem 51: 6085-94 (2008) Article DOI: 10.1021/jm800602w BindingDB Entry DOI: 10.7270/Q2571D72
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50412720 (CHEMBL461627) Show SMILES COC(=O)c1coc2CC(CN3CCC(CC3)c3noc4cc(F)ccc34)CC(=O)c12 Show InChI InChI=1S/C23H23FN2O5/c1-29-23(28)17-12-30-20-9-13(8-18(27)21(17)20)11-26-6-4-14(5-7-26)22-16-3-2-15(24)10-19(16)31-25-22/h2-3,10,12-14H,4-9,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	85.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human cloned dopamine D2 receptor				J Med Chem 51: 6085-94 (2008) Article DOI: 10.1021/jm800602w BindingDB Entry DOI: 10.7270/Q2571D72
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50409062 (CHEMBL143022 | QF-1003B) Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC2Cc3occc3C(=O)C2)CC1 Show InChI InChI=1S/C21H22FNO3/c22-17-3-1-15(2-4-17)21(25)16-5-8-23(9-6-16)13-14-11-19(24)18-7-10-26-20(18)12-14/h1-4,7,10,14,16H,5-6,8-9,11-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	95.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human cloned 5HT2A receptor				J Med Chem 51: 6085-94 (2008) Article DOI: 10.1021/jm800602w BindingDB Entry DOI: 10.7270/Q2571D72
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50409062 (CHEMBL143022 | QF-1003B) Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC2Cc3occc3C(=O)C2)CC1 Show InChI InChI=1S/C21H22FNO3/c22-17-3-1-15(2-4-17)21(25)16-5-8-23(9-6-16)13-14-11-19(24)18-7-10-26-20(18)12-14/h1-4,7,10,14,16H,5-6,8-9,11-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	151	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human cloned dopamine D2 receptor				J Med Chem 51: 6085-94 (2008) Article DOI: 10.1021/jm800602w BindingDB Entry DOI: 10.7270/Q2571D72
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	166	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human cloned 5HT2A receptor				J Med Chem 51: 6085-94 (2008) Article DOI: 10.1021/jm800602w BindingDB Entry DOI: 10.7270/Q2571D72
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50412719 (CHEMBL459930) Show SMILES CCOC(=O)c1oc2CC(CN3CCC(CC3)c3noc4cc(F)ccc34)CC(=O)c2c1C Show InChI InChI=1S/C25H27FN2O5/c1-3-31-25(30)24-14(2)22-19(29)10-15(11-21(22)32-24)13-28-8-6-16(7-9-28)23-18-5-4-17(26)12-20(18)33-27-23/h4-5,12,15-16H,3,6-11,13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	214	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human cloned dopamine D2 receptor				J Med Chem 51: 6085-94 (2008) Article DOI: 10.1021/jm800602w BindingDB Entry DOI: 10.7270/Q2571D72
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50001884 (2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...) Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3	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	224	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human cloned dopamine D2 receptor				J Med Chem 51: 6085-94 (2008) Article DOI: 10.1021/jm800602w BindingDB Entry DOI: 10.7270/Q2571D72
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50412727 (CHEMBL492689) Show SMILES Fc1ccc2c(noc2c1)C1CCN(C[C@H]2Cc3occc3C(=O)C2)CC1 |r| Show InChI InChI=1S/C21H21FN2O3/c22-15-1-2-17-20(11-15)27-23-21(17)14-3-6-24(7-4-14)12-13-9-18(25)16-5-8-26-19(16)10-13/h1-2,5,8,11,13-14H,3-4,6-7,9-10,12H2/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	245	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine from human cloned 5HT2C receptor				J Med Chem 51: 6085-94 (2008) Article DOI: 10.1021/jm800602w BindingDB Entry DOI: 10.7270/Q2571D72
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50409063 (CHEMBL143027 | QF-1004B) Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC2Cc3occc3C(=O)C2)CC1 Show InChI InChI=1S/C21H21FN2O3/c22-15-1-2-17-20(11-15)27-23-21(17)14-3-6-24(7-4-14)12-13-9-18(25)16-5-8-26-19(16)10-13/h1-2,5,8,11,13-14H,3-4,6-7,9-10,12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	339	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine from human cloned 5HT2C receptor				J Med Chem 51: 6085-94 (2008) Article DOI: 10.1021/jm800602w BindingDB Entry DOI: 10.7270/Q2571D72
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50409490 (CHEMBL159929 | QF-0702B) Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCC2CCc3occc3C2=O)CC1 Show InChI InChI=1S/C22H24FNO3/c23-18-4-1-15(2-5-18)21(25)17-8-12-24(13-9-17)11-7-16-3-6-20-19(22(16)26)10-14-27-20/h1-2,4-5,10,14,16-17H,3,6-9,11-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	339	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine from human cloned 5HT2C receptor				J Med Chem 51: 6085-94 (2008) Article DOI: 10.1021/jm800602w BindingDB Entry DOI: 10.7270/Q2571D72
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50412726 (CHEMBL523680) Show SMILES Fc1ccc2c(noc2c1)C1CCN(C[C@@H]2Cc3occc3C(=O)C2)CC1 |r| Show InChI InChI=1S/C21H21FN2O3/c22-15-1-2-17-20(11-15)27-23-21(17)14-3-6-24(7-4-14)12-13-9-18(25)16-5-8-26-19(16)10-13/h1-2,5,8,11,13-14H,3-4,6-7,9-10,12H2/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	372	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine from human cloned 5HT2C receptor				J Med Chem 51: 6085-94 (2008) Article DOI: 10.1021/jm800602w BindingDB Entry DOI: 10.7270/Q2571D72
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50409490 (CHEMBL159929 | QF-0702B) Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCC2CCc3occc3C2=O)CC1 Show InChI InChI=1S/C22H24FNO3/c23-18-4-1-15(2-5-18)21(25)17-8-12-24(13-9-17)11-7-16-3-6-20-19(22(16)26)10-14-27-20/h1-2,4-5,10,14,16-17H,3,6-9,11-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	724	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human cloned dopamine D2 receptor				J Med Chem 51: 6085-94 (2008) Article DOI: 10.1021/jm800602w BindingDB Entry DOI: 10.7270/Q2571D72
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50412723 (CHEMBL516944 | QF-1012B) Show SMILES Fc1ccc(cc1)C(=O)N1CCN(CC2Cc3occc3C(=O)C2)CC1 Show InChI InChI=1S/C20H21FN2O3/c21-16-3-1-15(2-4-16)20(25)23-8-6-22(7-9-23)13-14-11-18(24)17-5-10-26-19(17)12-14/h1-5,10,14H,6-9,11-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.32E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human cloned 5HT2A receptor				J Med Chem 51: 6085-94 (2008) Article DOI: 10.1021/jm800602w BindingDB Entry DOI: 10.7270/Q2571D72
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50409062 (CHEMBL143022 | QF-1003B) Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC2Cc3occc3C(=O)C2)CC1 Show InChI InChI=1S/C21H22FNO3/c22-17-3-1-15(2-4-17)21(25)16-5-8-23(9-6-16)13-14-11-19(24)18-7-10-26-20(18)12-14/h1-4,7,10,14,16H,5-6,8-9,11-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.55E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine from human cloned 5HT2C receptor				J Med Chem 51: 6085-94 (2008) Article DOI: 10.1021/jm800602w BindingDB Entry DOI: 10.7270/Q2571D72
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50412724 (CHEMBL516809 | QF-1068B) Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC2Cc3oc(cc3C(=O)C2)-c2ccccc2)CC1 Show InChI InChI=1S/C27H25FN2O3/c28-20-6-7-21-26(14-20)33-29-27(21)19-8-10-30(11-9-19)16-17-12-23(31)22-15-24(32-25(22)13-17)18-4-2-1-3-5-18/h1-7,14-15,17,19H,8-13,16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.31E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine from human cloned 5HT2C receptor				J Med Chem 51: 6085-94 (2008) Article DOI: 10.1021/jm800602w BindingDB Entry DOI: 10.7270/Q2571D72
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (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	Article PubMed	7.24E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine from human cloned 5HT2C receptor				J Med Chem 51: 6085-94 (2008) Article DOI: 10.1021/jm800602w BindingDB Entry DOI: 10.7270/Q2571D72
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50412720 (CHEMBL461627) Show SMILES COC(=O)c1coc2CC(CN3CCC(CC3)c3noc4cc(F)ccc34)CC(=O)c12 Show InChI InChI=1S/C23H23FN2O5/c1-29-23(28)17-12-30-20-9-13(8-18(27)21(17)20)11-26-6-4-14(5-7-26)22-16-3-2-15(24)10-19(16)31-25-22/h2-3,10,12-14H,4-9,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine from human cloned 5HT2C receptor				J Med Chem 51: 6085-94 (2008) Article DOI: 10.1021/jm800602w BindingDB Entry DOI: 10.7270/Q2571D72
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50412721 (CHEMBL494702) Show SMILES CCOC(=O)c1oc2CC(CN3CCC(CC3)C(=O)c3ccc(F)cc3)CC(=O)c2c1C Show InChI InChI=1S/C25H28FNO5/c1-3-31-25(30)24-15(2)22-20(28)12-16(13-21(22)32-24)14-27-10-8-18(9-11-27)23(29)17-4-6-19(26)7-5-17/h4-7,16,18H,3,8-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human cloned dopamine D2 receptor				J Med Chem 51: 6085-94 (2008) Article DOI: 10.1021/jm800602w BindingDB Entry DOI: 10.7270/Q2571D72
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50412723 (CHEMBL516944 | QF-1012B) Show SMILES Fc1ccc(cc1)C(=O)N1CCN(CC2Cc3occc3C(=O)C2)CC1 Show InChI InChI=1S/C20H21FN2O3/c21-16-3-1-15(2-4-16)20(25)23-8-6-22(7-9-23)13-14-11-18(24)17-5-10-26-19(17)12-14/h1-5,10,14H,6-9,11-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine from human cloned 5HT2C receptor				J Med Chem 51: 6085-94 (2008) Article DOI: 10.1021/jm800602w BindingDB Entry DOI: 10.7270/Q2571D72
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50412723 (CHEMBL516944 | QF-1012B) Show SMILES Fc1ccc(cc1)C(=O)N1CCN(CC2Cc3occc3C(=O)C2)CC1 Show InChI InChI=1S/C20H21FN2O3/c21-16-3-1-15(2-4-16)20(25)23-8-6-22(7-9-23)13-14-11-18(24)17-5-10-26-19(17)12-14/h1-5,10,14H,6-9,11-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human cloned dopamine D2 receptor				J Med Chem 51: 6085-94 (2008) Article DOI: 10.1021/jm800602w BindingDB Entry DOI: 10.7270/Q2571D72
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50412725 (CHEMBL493069) Show SMILES COC(=O)c1coc2CC(CN3CCC(CC3)C(=O)c3ccc(F)cc3)CC(=O)c12 Show InChI InChI=1S/C23H24FNO5/c1-29-23(28)18-13-30-20-11-14(10-19(26)21(18)20)12-25-8-6-16(7-9-25)22(27)15-2-4-17(24)5-3-15/h2-5,13-14,16H,6-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human cloned dopamine D2 receptor				J Med Chem 51: 6085-94 (2008) Article DOI: 10.1021/jm800602w BindingDB Entry DOI: 10.7270/Q2571D72
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50412725 (CHEMBL493069) Show SMILES COC(=O)c1coc2CC(CN3CCC(CC3)C(=O)c3ccc(F)cc3)CC(=O)c12 Show InChI InChI=1S/C23H24FNO5/c1-29-23(28)18-13-30-20-11-14(10-19(26)21(18)20)12-25-8-6-16(7-9-25)22(27)15-2-4-17(24)5-3-15/h2-5,13-14,16H,6-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine from human cloned 5HT2C receptor				J Med Chem 51: 6085-94 (2008) Article DOI: 10.1021/jm800602w BindingDB Entry DOI: 10.7270/Q2571D72
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50412722 (CHEMBL494701 | QF-1064B) Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC2Cc3oc(cc3C(=O)C2)-c2ccccc2)CC1 Show InChI InChI=1S/C27H26FNO3/c28-22-8-6-20(7-9-22)27(31)21-10-12-29(13-11-21)17-18-14-24(30)23-16-25(32-26(23)15-18)19-4-2-1-3-5-19/h1-9,16,18,21H,10-15,17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human cloned dopamine D2 receptor				J Med Chem 51: 6085-94 (2008) Article DOI: 10.1021/jm800602w BindingDB Entry DOI: 10.7270/Q2571D72
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50412721 (CHEMBL494702) Show SMILES CCOC(=O)c1oc2CC(CN3CCC(CC3)C(=O)c3ccc(F)cc3)CC(=O)c2c1C Show InChI InChI=1S/C25H28FNO5/c1-3-31-25(30)24-15(2)22-20(28)12-16(13-21(22)32-24)14-27-10-8-18(9-11-27)23(29)17-4-6-19(26)7-5-17/h4-7,16,18H,3,8-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine from human cloned 5HT2C receptor				J Med Chem 51: 6085-94 (2008) Article DOI: 10.1021/jm800602w BindingDB Entry DOI: 10.7270/Q2571D72
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50412722 (CHEMBL494701 | QF-1064B) Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC2Cc3oc(cc3C(=O)C2)-c2ccccc2)CC1 Show InChI InChI=1S/C27H26FNO3/c28-22-8-6-20(7-9-22)27(31)21-10-12-29(13-11-21)17-18-14-24(30)23-16-25(32-26(23)15-18)19-4-2-1-3-5-19/h1-9,16,18,21H,10-15,17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine from human cloned 5HT2C receptor				J Med Chem 51: 6085-94 (2008) Article DOI: 10.1021/jm800602w BindingDB Entry DOI: 10.7270/Q2571D72
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50412719 (CHEMBL459930) Show SMILES CCOC(=O)c1oc2CC(CN3CCC(CC3)c3noc4cc(F)ccc34)CC(=O)c2c1C Show InChI InChI=1S/C25H27FN2O5/c1-3-31-25(30)24-14(2)22-19(29)10-15(11-21(22)32-24)13-28-8-6-16(7-9-28)23-18-5-4-17(26)12-20(18)33-27-23/h4-5,12,15-16H,3,6-11,13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine from human cloned 5HT2C receptor				J Med Chem 51: 6085-94 (2008) Article DOI: 10.1021/jm800602w BindingDB Entry DOI: 10.7270/Q2571D72
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50146155 (CHEMBL3764774) Show SMILES [H][C@@]1(CC[C@@H](Cc2ccc(NC(=O)Cn3cnc4ccccc4c3=O)cc2)N1)[C@H](O)c1ccccc1 |r| Show InChI InChI=1S/C28H28N4O3/c33-26(17-32-18-29-24-9-5-4-8-23(24)28(32)35)31-21-12-10-19(11-13-21)16-22-14-15-25(30-22)27(34)20-6-2-1-3-7-20/h1-13,18,22,25,27,30,34H,14-17H2,(H,31,33)/t22-,25+,27+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human SERT expressed in HEK293 cells preincubated for 30 mins followed by fluorescent substrate addition measured after 30 mins by plat...				J Med Chem 59: 609-23 (2016) Article DOI: 10.1021/acs.jmedchem.5b01372 BindingDB Entry DOI: 10.7270/Q2M047B3
					More data for this Ligand-Target Pair

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