Compile Data Set for Download or QSAR

Found 356 hits with Last Name = 'siuciak' and Initial = 'j'   

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
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50206243 (CHEMBL3918431) Show SMILES C1N=C(Nc2cc3ccccc3cn2)O[C@]11CN2CCC1CC2 |r,wU:15.16,t:1,TLB:14:15:18.19:22.21,THB:0:15:18.19:22.21,(17.63,-8.02,;19,-7.33,;18.76,-5.81,;19.85,-4.72,;21.34,-5.11,;22.41,-4.02,;23.9,-4.41,;24.98,-3.32,;26.47,-3.71,;26.88,-5.2,;25.79,-6.3,;24.3,-5.9,;23.22,-7,;21.73,-6.6,;17.24,-5.56,;16.54,-6.93,;15.8,-8.21,;14.52,-7.62,;14.52,-5.71,;15.36,-4.63,;15.36,-6.25,;13.79,-6.93,;13,-8.11,)| Show InChI InChI=1S/C18H20N4O/c1-2-4-14-10-19-16(9-13(14)3-1)21-17-20-11-18(23-17)12-22-7-5-15(18)6-8-22/h1-4,9-10,15H,5-8,11-12H2,(H,19,20,21)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [125I]Tyr54-alpha-bungarotoxin from rat alpha7 nAChR expressed in HEK293 cell membranes co-expressing human RIC3 measured after 2 hrs...				J Med Chem 59: 11171-11181 (2016) Article DOI: 10.1021/acs.jmedchem.6b01506 BindingDB Entry DOI: 10.7270/Q2NS0X2H
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50343301 (2-((4-(4-Fluorophenyl)piperidin-1-yl)methyl)-1-met...) Show SMILES Cn1c(CN2CCC(CC2)c2ccc(F)cc2)nc2ccccc12 Show InChI InChI=1S/C20H22FN3/c1-23-19-5-3-2-4-18(19)22-20(23)14-24-12-10-16(11-13-24)15-6-8-17(21)9-7-15/h2-9,16H,10-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from dopamine D2 receptor in rat corpus striatum by beta plate scintillation counting				J Med Chem 54: 1724-39 (2011) Article DOI: 10.1021/jm101414h BindingDB Entry DOI: 10.7270/Q2222V3C
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50211195 (CHEMBL3944506) Show SMILES COc1ccc2nc(NC3=NC[C@@]4(CN5CCC4CC5)O3)sc2c1 |r,wU:12.21,t:9,THB:20:12:15.16:19.18,(37.09,-40.85,;35.6,-40.46,;34.52,-41.55,;34.92,-43.04,;33.83,-44.12,;32.35,-43.73,;31.07,-44.57,;29.87,-43.61,;28.38,-44.01,;27.98,-45.5,;28.96,-46.69,;28.12,-47.99,;26.63,-47.59,;26.93,-49.11,;25.44,-48.42,;23.78,-49.14,;23.56,-47.64,;25.16,-46.94,;25.24,-45.16,;25.72,-46.36,;26.55,-46.05,;30.42,-42.17,;31.96,-42.24,;33.04,-41.16,)| Show InChI InChI=1S/C17H20N4O2S/c1-22-12-2-3-13-14(8-12)24-16(19-13)20-15-18-9-17(23-15)10-21-6-4-11(17)5-7-21/h2-3,8,11H,4-7,9-10H2,1H3,(H,18,19,20)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [125I]Tyr54-alpha-bungarotoxin from rat alpha7 nAChR expressed in HEK293 cell membranes co-expressing human RIC3 measured after 2 hrs...				J Med Chem 59: 11171-11181 (2016) Article DOI: 10.1021/acs.jmedchem.6b01506 BindingDB Entry DOI: 10.7270/Q2NS0X2H
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50343305 (2-((4-(4-Chloro-2-fluorophenyl)piperidin-1-yl)meth...) Show SMILES Cn1c(CN2CCC(CC2)c2ccc(Cl)cc2F)nc2ccccc12 Show InChI InChI=1S/C20H21ClFN3/c1-24-19-5-3-2-4-18(19)23-20(24)13-25-10-8-14(9-11-25)16-7-6-15(21)12-17(16)22/h2-7,12,14H,8-11,13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from dopamine D2 receptor in rat corpus striatum by beta plate scintillation counting				J Med Chem 54: 1724-39 (2011) Article DOI: 10.1021/jm101414h BindingDB Entry DOI: 10.7270/Q2222V3C
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50164613 ((-)-Spiro[1-azabicyclo(2.2.2)octane-3,5'-oxazolidi...) Show SMILES O=C1NC[C@@]2(CN3CCC2CC3)O1 |wU:4.13,(17.66,3,;16.71,1.79,;17.15,.32,;15.87,-.57,;14.65,.37,;14.65,-1.17,;13.32,-1.92,;13.8,-.68,;12.7,-.03,;13.32,1.16,;12,.37,;12,-1.17,;15.17,1.82,)| Show InChI InChI=1S/C9H14N2O2/c12-8-10-5-9(13-8)6-11-3-1-7(9)2-4-11/h7H,1-6H2,(H,10,12)/t9-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	92	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [125I]alpha-bungarotoxin from rat hippocampal alpha7 nAChR measured after 2 hrs by TopCount scintillation counting method				J Med Chem 59: 11171-11181 (2016) Article DOI: 10.1021/acs.jmedchem.6b01506 BindingDB Entry DOI: 10.7270/Q2NS0X2H
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50343299 (2-((4-(2-Fluorophenyl)piperidin-1-yl)methyl)-1-met...) Show SMILES Cn1c(CN2CCC(CC2)c2ccccc2F)nc2ccccc12 Show InChI InChI=1S/C20H22FN3/c1-23-19-9-5-4-8-18(19)22-20(23)14-24-12-10-15(11-13-24)16-6-2-3-7-17(16)21/h2-9,15H,10-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from dopamine D2 receptor in rat corpus striatum by beta plate scintillation counting				J Med Chem 54: 1724-39 (2011) Article DOI: 10.1021/jm101414h BindingDB Entry DOI: 10.7270/Q2222V3C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50277957 ((R)-3-((2',4'-difluorobiphenyl-4-yl)methyl)-5-meth...) Show SMILES C[C@@H]1CN(Cc2ccc(cc2)-c2ccc(F)cc2F)C(=O)O1 |r| Show InChI InChI=1S/C17H15F2NO2/c1-11-9-20(17(21)22-11)10-12-2-4-13(5-3-12)15-7-6-14(18)8-16(15)19/h2-8,11H,9-10H2,1H3/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	323	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to human 5HT2A receptor				Bioorg Med Chem Lett 19: 2524-9 (2009) Article DOI: 10.1016/j.bmcl.2009.03.032 BindingDB Entry DOI: 10.7270/Q2F18ZK7
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50343317 (1-methyl-2-(((1R,5S)-3-(4-(trifluoromethyl)phenyl)...) Show SMILES Cn1c(CN2[C@H]3CC[C@@H]2CC(C3)c2ccc(cc2)C(F)(F)F)nc2ncccc12 |r,THB:12:10:4:7.6| Show InChI InChI=1S/C22H23F3N4/c1-28-19-3-2-10-26-21(19)27-20(28)13-29-17-8-9-18(29)12-15(11-17)14-4-6-16(7-5-14)22(23,24)25/h2-7,10,15,17-18H,8-9,11-13H2,1H3/t15?,17-,18+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	355	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from dopamine D2 receptor in rat corpus striatum by beta plate scintillation counting				J Med Chem 54: 1724-39 (2011) Article DOI: 10.1021/jm101414h BindingDB Entry DOI: 10.7270/Q2222V3C
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50343308 (1-Methyl-2-((4-(4-(trifluoromethyl)phenyl)piperidi...) Show SMILES Cn1c(CN2CCC(CC2)c2ccc(cc2)C(F)(F)F)nc2ncccc12 Show InChI InChI=1S/C20H21F3N4/c1-26-17-3-2-10-24-19(17)25-18(26)13-27-11-8-15(9-12-27)14-4-6-16(7-5-14)20(21,22)23/h2-7,10,15H,8-9,11-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	404	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from dopamine D2 receptor in rat corpus striatum by beta plate scintillation counting				J Med Chem 54: 1724-39 (2011) Article DOI: 10.1021/jm101414h BindingDB Entry DOI: 10.7270/Q2222V3C
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50343295 (2-((4-(2-Methoxy-phenyl)piperidin-1-yl)methyl)-1-m...) Show SMILES COc1ccccc1C1CCN(Cc2nc3ccccc3n2C)CC1 Show InChI InChI=1S/C21H25N3O/c1-23-19-9-5-4-8-18(19)22-21(23)15-24-13-11-16(12-14-24)17-7-3-6-10-20(17)25-2/h3-10,16H,11-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	426	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from dopamine D2 receptor in rat corpus striatum by beta plate scintillation counting				J Med Chem 54: 1724-39 (2011) Article DOI: 10.1021/jm101414h BindingDB Entry DOI: 10.7270/Q2222V3C
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50343306 (1-methyl-2-((4-(4-(trifluoromethyl)phenyl)piperidi...) Show SMILES Cn1c(CN2CCC(CC2)c2ccc(cc2)C(F)(F)F)nc2ccccc12 Show InChI InChI=1S/C21H22F3N3/c1-26-19-5-3-2-4-18(19)25-20(26)14-27-12-10-16(11-13-27)15-6-8-17(9-7-15)21(22,23)24/h2-9,16H,10-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	561	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from dopamine D2 receptor in rat corpus striatum by beta plate scintillation counting				J Med Chem 54: 1724-39 (2011) Article DOI: 10.1021/jm101414h BindingDB Entry DOI: 10.7270/Q2222V3C
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50343316 (CHEMBL1774224 | cis-1-methyl-2-(((2R,4R)-2-methyl-...) Show SMILES C[C@@H]1C[C@@H](CCN1Cc1nc2ncccc2n1C)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C21H23F3N4/c1-14-12-16(15-5-7-17(8-6-15)21(22,23)24)9-11-28(14)13-19-26-20-18(27(19)2)4-3-10-25-20/h3-8,10,14,16H,9,11-13H2,1-2H3/t14-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	589	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from dopamine D2 receptor in rat corpus striatum by beta plate scintillation counting				J Med Chem 54: 1724-39 (2011) Article DOI: 10.1021/jm101414h BindingDB Entry DOI: 10.7270/Q2222V3C
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50343309 (1-Methyl-2-((4-(4-(trifluoromethyl)phenyl)piperidi...) Show SMILES Cn1c(CN2CCC(CC2)c2ccc(cc2)C(F)(F)F)nc2cnccc12 Show InChI InChI=1S/C20H21F3N4/c1-26-18-6-9-24-12-17(18)25-19(26)13-27-10-7-15(8-11-27)14-2-4-16(5-3-14)20(21,22)23/h2-6,9,12,15H,7-8,10-11,13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	671	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from dopamine D2 receptor in rat corpus striatum by beta plate scintillation counting				J Med Chem 54: 1724-39 (2011) Article DOI: 10.1021/jm101414h BindingDB Entry DOI: 10.7270/Q2222V3C
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50343314 (2-((4-(2-Fluoro-4-(trifluoromethoxy)phenyl)piperid...) Show SMILES Cn1c(CN2CCC(CC2)c2ccc(OC(F)(F)F)cc2F)nc2ncccc12 Show InChI InChI=1S/C20H20F4N4O/c1-27-17-3-2-8-25-19(17)26-18(27)12-28-9-6-13(7-10-28)15-5-4-14(11-16(15)21)29-20(22,23)24/h2-5,8,11,13H,6-7,9-10,12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.18E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from dopamine D2 receptor in rat corpus striatum by beta plate scintillation counting				J Med Chem 54: 1724-39 (2011) Article DOI: 10.1021/jm101414h BindingDB Entry DOI: 10.7270/Q2222V3C
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50343321 (CHEMBL1774229 | cis-2-(((3R,4R)-4-(4-chloro-2-fluo...) Show SMILES C[C@H]1CN(Cc2nc3ncccc3n2C)CC[C@H]1c1ccc(Cl)cc1F |r| Show InChI InChI=1S/C20H22ClFN4/c1-13-11-26(9-7-15(13)16-6-5-14(21)10-17(16)22)12-19-24-20-18(25(19)2)4-3-8-23-20/h3-6,8,10,13,15H,7,9,11-12H2,1-2H3/t13-,15+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.62E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from dopamine D2 receptor in rat corpus striatum by beta plate scintillation counting				J Med Chem 54: 1724-39 (2011) Article DOI: 10.1021/jm101414h BindingDB Entry DOI: 10.7270/Q2222V3C
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50343313 (2-((4-(2-Fluoro-4-(trifluoromethyl)phenyl)piperidi...) Show SMILES Cn1c(CN2CCC(CC2)c2ccc(cc2F)C(F)(F)F)nc2ncccc12 Show InChI InChI=1S/C20H20F4N4/c1-27-17-3-2-8-25-19(17)26-18(27)12-28-9-6-13(7-10-28)15-5-4-14(11-16(15)21)20(22,23)24/h2-5,8,11,13H,6-7,9-10,12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.78E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from dopamine D2 receptor in rat corpus striatum by beta plate scintillation counting				J Med Chem 54: 1724-39 (2011) Article DOI: 10.1021/jm101414h BindingDB Entry DOI: 10.7270/Q2222V3C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50277955 ((R)-3-((3'-chloro-4'-fluorobiphenyl-4-yl)methyl)-5...) Show SMILES C[C@@H]1CN(Cc2ccc(cc2)-c2ccc(F)c(Cl)c2)C(=O)O1 |r| Show InChI InChI=1S/C17H15ClFNO2/c1-11-9-20(17(21)22-11)10-12-2-4-13(5-3-12)14-6-7-16(19)15(18)8-14/h2-8,11H,9-10H2,1H3/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to human 5HT2A receptor				Bioorg Med Chem Lett 19: 2524-9 (2009) Article DOI: 10.1016/j.bmcl.2009.03.032 BindingDB Entry DOI: 10.7270/Q2F18ZK7
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50343312 (2-((4-(2-Methoxy-4-(trifluoromethyl)phenyl)piperid...) Show SMILES COc1cc(ccc1C1CCN(Cc2nc3ncccc3n2C)CC1)C(F)(F)F Show InChI InChI=1S/C21H23F3N4O/c1-27-17-4-3-9-25-20(17)26-19(27)13-28-10-7-14(8-11-28)16-6-5-15(21(22,23)24)12-18(16)29-2/h3-6,9,12,14H,7-8,10-11,13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.43E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from dopamine D2 receptor in rat corpus striatum by beta plate scintillation counting				J Med Chem 54: 1724-39 (2011) Article DOI: 10.1021/jm101414h BindingDB Entry DOI: 10.7270/Q2222V3C
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50343318 ((S)-2-((3,3-dimethyl-4-(4-(trifluoromethyl)phenyl)...) Show SMILES Cn1c(CN2CC[C@@H](c3ccc(cc3)C(F)(F)F)C(C)(C)C2)nc2ncccc12 |r| Show InChI InChI=1S/C22H25F3N4/c1-21(2)14-29(13-19-27-20-18(28(19)3)5-4-11-26-20)12-10-17(21)15-6-8-16(9-7-15)22(23,24)25/h4-9,11,17H,10,12-14H2,1-3H3/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from dopamine D2 receptor in rat corpus striatum by beta plate scintillation counting				J Med Chem 54: 1724-39 (2011) Article DOI: 10.1021/jm101414h BindingDB Entry DOI: 10.7270/Q2222V3C
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50343319 (CHEMBL1774227 | cis-1-methyl-2-(((3R,4R)-3-methyl-...) Show SMILES C[C@H]1CN(Cc2nc3ncccc3n2C)CC[C@H]1c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C21H23F3N4/c1-14-12-28(13-19-26-20-18(27(19)2)4-3-10-25-20)11-9-17(14)15-5-7-16(8-6-15)21(22,23)24/h3-8,10,14,17H,9,11-13H2,1-2H3/t14-,17+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from dopamine D2 receptor in rat corpus striatum by beta plate scintillation counting				J Med Chem 54: 1724-39 (2011) Article DOI: 10.1021/jm101414h BindingDB Entry DOI: 10.7270/Q2222V3C
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50343320 (CHEMBL1774228 | cis-1-methyl-2-(((3S,4S)-3-methyl-...) Show SMILES C[C@@H]1CN(Cc2nc3ncccc3n2C)CC[C@@H]1c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C21H23F3N4/c1-14-12-28(13-19-26-20-18(27(19)2)4-3-10-25-20)11-9-17(14)15-5-7-16(8-6-15)21(22,23)24/h3-8,10,14,17H,9,11-13H2,1-2H3/t14-,17+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from dopamine D2 receptor in rat corpus striatum by beta plate scintillation counting				J Med Chem 54: 1724-39 (2011) Article DOI: 10.1021/jm101414h BindingDB Entry DOI: 10.7270/Q2222V3C
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50343319 (CHEMBL1774227 | cis-1-methyl-2-(((3R,4R)-3-methyl-...) Show SMILES C[C@H]1CN(Cc2nc3ncccc3n2C)CC[C@H]1c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C21H23F3N4/c1-14-12-28(13-19-26-20-18(27(19)2)4-3-10-25-20)11-9-17(14)15-5-7-16(8-6-15)21(22,23)24/h3-8,10,14,17H,9,11-13H2,1-2H3/t14-,17+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from dopamine D2 receptor in rat corpus striatum by beta plate scintillation counting				J Med Chem 54: 1724-39 (2011) Article DOI: 10.1021/jm101414h BindingDB Entry DOI: 10.7270/Q2222V3C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50278009 ((R)-3-((6-(3,4-difluorophenyl)pyridin-3-yl)methyl)...) Show SMILES C[C@@H]1CN(Cc2ccc(nc2)-c2ccc(F)c(F)c2)C(=O)O1 |r| Show InChI InChI=1S/C16H14F2N2O2/c1-10-8-20(16(21)22-10)9-11-2-5-15(19-7-11)12-3-4-13(17)14(18)6-12/h2-7,10H,8-9H2,1H3/t10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to human 5HT2A receptor				Bioorg Med Chem Lett 19: 2524-9 (2009) Article DOI: 10.1016/j.bmcl.2009.03.032 BindingDB Entry DOI: 10.7270/Q2F18ZK7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50277956 ((R)-3-((2'-fluoro-4'-(trifluoromethoxy)biphenyl-4-...) Show SMILES C[C@@H]1CN(Cc2ccc(cc2)-c2ccc(OC(F)(F)F)cc2F)C(=O)O1 |r| Show InChI InChI=1S/C18H15F4NO3/c1-11-9-23(17(24)25-11)10-12-2-4-13(5-3-12)15-7-6-14(8-16(15)19)26-18(20,21)22/h2-8,11H,9-10H2,1H3/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to human 5HT2A receptor				Bioorg Med Chem Lett 19: 2524-9 (2009) Article DOI: 10.1016/j.bmcl.2009.03.032 BindingDB Entry DOI: 10.7270/Q2F18ZK7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50278007 ((R)-3-((6-(2-fluoro-4-(trifluoromethoxy)phenyl)pyr...) Show SMILES C[C@@H]1CN(Cc2ccc(nc2)-c2ccc(OC(F)(F)F)cc2F)C(=O)O1 |r| Show InChI InChI=1S/C17H14F4N2O3/c1-10-8-23(16(24)25-10)9-11-2-5-15(22-7-11)13-4-3-12(6-14(13)18)26-17(19,20)21/h2-7,10H,8-9H2,1H3/t10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to human 5HT2A receptor				Bioorg Med Chem Lett 19: 2524-9 (2009) Article DOI: 10.1016/j.bmcl.2009.03.032 BindingDB Entry DOI: 10.7270/Q2F18ZK7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50277846 ((5R)-3-(4-(1-cyclohexylethoxy)benzyl)-5-methyloxaz...) Show SMILES CC(Oc1ccc(CN2C[C@@H](C)OC2=O)cc1)C1CCCCC1 |r| Show InChI InChI=1S/C19H27NO3/c1-14-12-20(19(21)22-14)13-16-8-10-18(11-9-16)23-15(2)17-6-4-3-5-7-17/h8-11,14-15,17H,3-7,12-13H2,1-2H3/t14-,15?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to human 5HT2A receptor				Bioorg Med Chem Lett 19: 2524-9 (2009) Article DOI: 10.1016/j.bmcl.2009.03.032 BindingDB Entry DOI: 10.7270/Q2F18ZK7
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50343327 (CHEMBL1774235 | cis-2-(((3R,4R)-4-(2-fluoro-4-(tri...) Show SMILES C[C@H]1CN(Cc2nc3ncccc3n2C)CC[C@H]1c1ccc(OC(F)(F)F)cc1F |r| Show InChI InChI=1S/C21H22F4N4O/c1-13-11-29(12-19-27-20-18(28(19)2)4-3-8-26-20)9-7-15(13)16-6-5-14(10-17(16)22)30-21(23,24)25/h3-6,8,10,13,15H,7,9,11-12H2,1-2H3/t13-,15+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.68E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from dopamine D2 receptor in rat corpus striatum by beta plate scintillation counting				J Med Chem 54: 1724-39 (2011) Article DOI: 10.1021/jm101414h BindingDB Entry DOI: 10.7270/Q2222V3C
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50343325 (CHEMBL1774233 | cis-2-(((3R,4R)-4-(2-fluoro-4-(tri...) Show SMILES C[C@H]1CN(Cc2nc3ncccc3n2C)CC[C@H]1c1ccc(cc1F)C(F)(F)F |r| Show InChI InChI=1S/C21H22F4N4/c1-13-11-29(12-19-27-20-18(28(19)2)4-3-8-26-20)9-7-15(13)16-6-5-14(10-17(16)22)21(23,24)25/h3-6,8,10,13,15H,7,9,11-12H2,1-2H3/t13-,15+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.26E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from dopamine D2 receptor in rat corpus striatum by beta plate scintillation counting				J Med Chem 54: 1724-39 (2011) Article DOI: 10.1021/jm101414h BindingDB Entry DOI: 10.7270/Q2222V3C
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50343323 (CHEMBL1774231 | cis-2-(((3R,4R)-4-(2-methoxy-4-(tr...) Show SMILES COc1cc(ccc1[C@@H]1CCN(Cc2nc3ncccc3n2C)C[C@@H]1C)C(F)(F)F |r| Show InChI InChI=1S/C22H25F3N4O/c1-14-12-29(13-20-27-21-18(28(20)2)5-4-9-26-21)10-8-16(14)17-7-6-15(22(23,24)25)11-19(17)30-3/h4-7,9,11,14,16H,8,10,12-13H2,1-3H3/t14-,16+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.26E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from dopamine D2 receptor in rat corpus striatum by beta plate scintillation counting				J Med Chem 54: 1724-39 (2011) Article DOI: 10.1021/jm101414h BindingDB Entry DOI: 10.7270/Q2222V3C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50232609 (CHEMBL4098776) Show SMILES C1N=C(Nc2nccc(n2)-c2ccccc2)O[C@]11CN2CCC1CC2 |r,wU:17.18,t:1,TLB:16:17:21.20:23.24,THB:0:17:21.20:23.24,(38.44,-28.23,;39.58,-27.21,;38.96,-25.8,;39.73,-24.47,;41.27,-24.47,;42.04,-25.8,;43.58,-25.8,;44.34,-24.47,;43.57,-23.13,;42.04,-23.13,;44.34,-21.8,;45.89,-21.8,;46.66,-20.47,;45.88,-19.13,;44.33,-19.13,;43.57,-20.47,;37.43,-25.96,;37.11,-27.46,;37.09,-28.88,;34.93,-28.34,;34.94,-26.54,;35.51,-25.27,;35.58,-26.79,;34.18,-27.55,;33.86,-29.1,)| Show InChI InChI=1S/C19H21N5O/c1-2-4-14(5-3-1)16-6-9-20-17(22-16)23-18-21-12-19(25-18)13-24-10-7-15(19)8-11-24/h1-6,9,15H,7-8,10-13H2,(H,20,21,22,23)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human 5HT3A receptor assessed as inhibition of 5-HT-induced calcium influx by Fluo-4-AM dye based FLIPR assay				Bioorg Med Chem Lett 27: 1261-1266 (2017) Article DOI: 10.1016/j.bmcl.2017.01.058 BindingDB Entry DOI: 10.7270/Q2FJ2K1D
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Rattus norvegicus (rat))	BDBM50350800 (CHEMBL1819135) Show SMILES COc1cc2ncnc(-c3cccnc3)c2cc1OCCc1ccc2ccccc2n1 Show InChI InChI=1S/C25H20N4O2/c1-30-23-14-22-20(25(28-16-27-22)18-6-4-11-26-15-18)13-24(23)31-12-10-19-9-8-17-5-2-3-7-21(17)29-19/h2-9,11,13-16H,10,12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant rat PDE10A expressed in Sf9 cells using [3H]cAMP after 30 mins by scintillation proximity assay				J Med Chem 54: 4536-47 (2011) Article DOI: 10.1021/jm2001508 BindingDB Entry DOI: 10.7270/Q2PN961Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50211207 (CHEMBL3950038) Show SMILES C1C2CCCN1CC21CN=C(Nc2nc3ccccc3s2)O1 |t:11,TLB:21:7:0:4.2.3| Show InChI InChI=1S/C16H18N4OS/c1-2-6-13-12(5-1)18-15(22-13)19-14-17-9-16(21-14)10-20-7-3-4-11(16)8-20/h1-2,5-6,11H,3-4,7-10H2,(H,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT3A expressed in HEK293 cells assessed as reduction in acetylcholine-induced activity preincubated for 30 mins follow...				J Med Chem 59: 11171-11181 (2016) Article DOI: 10.1021/acs.jmedchem.6b01506 BindingDB Entry DOI: 10.7270/Q2NS0X2H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50211210 (CHEMBL3984925) Show SMILES C1N=C(Nc2ccc3ccccc3n2)O[C@]11CN2CCC1CC2 |r,wU:15.16,t:1,THB:14:15:18.19:22.21,(48.06,-43.88,;48.9,-42.58,;47.93,-41.39,;48.32,-39.9,;49.81,-39.5,;50.19,-38.02,;51.67,-37.61,;52.77,-38.7,;54.25,-38.3,;55.34,-39.38,;54.95,-40.88,;53.46,-41.27,;52.37,-40.19,;50.89,-40.59,;46.49,-41.94,;46.57,-43.48,;46.88,-45,;45.38,-44.31,;43.72,-45.03,;43.51,-43.53,;45.11,-42.83,;45.18,-41.05,;45.66,-42.26,)| Show InChI InChI=1S/C18H20N4O/c1-2-4-15-13(3-1)5-6-16(20-15)21-17-19-11-18(23-17)12-22-9-7-14(18)8-10-22/h1-6,14H,7-12H2,(H,19,20,21)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT3A expressed in HEK293 cells assessed as reduction in acetylcholine-induced activity preincubated for 30 mins follow...				J Med Chem 59: 11171-11181 (2016) Article DOI: 10.1021/acs.jmedchem.6b01506 BindingDB Entry DOI: 10.7270/Q2NS0X2H
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A (Homo sapiens (Human))	BDBM50350802 (CHEMBL1819121) Show SMILES COc1cc2ncnc(N3CCCC(C3)c3ccccc3)c2cc1OC Show InChI InChI=1S/C21H23N3O2/c1-25-19-11-17-18(12-20(19)26-2)22-14-23-21(17)24-10-6-9-16(13-24)15-7-4-3-5-8-15/h3-5,7-8,11-12,14,16H,6,9-10,13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of PDE3A				J Med Chem 54: 4536-47 (2011) Article DOI: 10.1021/jm2001508 BindingDB Entry DOI: 10.7270/Q2PN961Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50232599 (CHEMBL4095046) Show SMILES CC(C)c1ccnc(NC2=NC[C@@]3(CN4CCC3CC4)O2)n1 |r,wU:12.21,t:9,TLB:20:12:16.15:18.19,THB:11:12:16.15:18.19,(58.53,-10.45,;56.99,-10.45,;56.22,-9.12,;56.22,-11.78,;56.99,-13.12,;56.22,-14.46,;54.68,-14.45,;53.92,-13.12,;52.38,-13.12,;51.61,-14.45,;52.23,-15.86,;51.09,-16.88,;49.76,-16.11,;49.74,-17.52,;47.58,-16.99,;47.59,-15.19,;48.16,-13.92,;48.23,-15.44,;46.84,-16.2,;46.51,-17.75,;50.08,-14.61,;54.68,-11.79,)| Show InChI InChI=1S/C16H23N5O/c1-11(2)13-3-6-17-14(19-13)20-15-18-9-16(22-15)10-21-7-4-12(16)5-8-21/h3,6,11-12H,4-5,7-10H2,1-2H3,(H,17,18,19,20)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human 5HT3A receptor assessed as inhibition of 5-HT-induced calcium influx by Fluo-4-AM dye based FLIPR assay				Bioorg Med Chem Lett 27: 1261-1266 (2017) Article DOI: 10.1016/j.bmcl.2017.01.058 BindingDB Entry DOI: 10.7270/Q2FJ2K1D
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Rattus norvegicus (rat))	BDBM50350797 (CHEMBL1819132) Show SMILES COc1cc2ncnc(N3CCCC(C3)c3ccccc3)c2cc1OCCCc1nc2ccccc2n1C Show InChI InChI=1S/C31H33N5O2/c1-35-27-14-7-6-13-25(27)34-30(35)15-9-17-38-29-18-24-26(19-28(29)37-2)32-21-33-31(24)36-16-8-12-23(20-36)22-10-4-3-5-11-22/h3-7,10-11,13-14,18-19,21,23H,8-9,12,15-17,20H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant rat PDE10A expressed in Sf9 cells using [3H]cAMP after 30 mins by scintillation proximity assay				J Med Chem 54: 4536-47 (2011) Article DOI: 10.1021/jm2001508 BindingDB Entry DOI: 10.7270/Q2PN961Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50211200 (CHEMBL3974854) Show SMILES C1N=C(Nc2nc(cs2)-c2ccccc2)OC11CN2CCC1CC2 |t:1,THB:15:16:19.20:23.22,(8.78,-39.79,;9.61,-38.49,;8.64,-37.3,;9.04,-35.81,;10.52,-35.41,;11.73,-36.37,;13.02,-35.53,;12.61,-34.04,;11.08,-33.97,;14.45,-36.08,;14.69,-37.6,;16.13,-38.15,;17.33,-37.18,;17.07,-35.65,;15.64,-35.11,;7.2,-37.85,;7.29,-39.39,;7.59,-40.91,;6.1,-40.22,;4.44,-40.94,;4.22,-39.44,;5.82,-38.74,;5.9,-36.96,;6.37,-38.17,)| Show InChI InChI=1S/C18H20N4OS/c1-2-4-13(5-3-1)15-10-24-17(20-15)21-16-19-11-18(23-16)12-22-8-6-14(18)7-9-22/h1-5,10,14H,6-9,11-12H2,(H,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT3A expressed in HEK293 cells assessed as reduction in acetylcholine-induced activity preincubated for 30 mins follow...				J Med Chem 59: 11171-11181 (2016) Article DOI: 10.1021/acs.jmedchem.6b01506 BindingDB Entry DOI: 10.7270/Q2NS0X2H
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Rattus norvegicus (rat))	BDBM50350803 (CHEMBL1819131) Show SMILES COc1cc2ncnc(N3CCCC(C3)c3ccccc3)c2cc1OCCc1ccc2ccccc2n1 Show InChI InChI=1S/C31H30N4O2/c1-36-29-19-28-26(18-30(29)37-17-15-25-14-13-23-10-5-6-12-27(23)34-25)31(33-21-32-28)35-16-7-11-24(20-35)22-8-3-2-4-9-22/h2-6,8-10,12-14,18-19,21,24H,7,11,15-17,20H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant rat PDE10A expressed in Sf9 cells using [3H]cAMP after 30 mins by scintillation proximity assay				J Med Chem 54: 4536-47 (2011) Article DOI: 10.1021/jm2001508 BindingDB Entry DOI: 10.7270/Q2PN961Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Rattus norvegicus (rat))	BDBM50350801 (CHEMBL1819136) Show SMILES COc1cc2ncn(C)c(=O)c2cc1OCCc1ccc2ccccc2n1 Show InChI InChI=1S/C21H19N3O3/c1-24-13-22-18-12-19(26-2)20(11-16(18)21(24)25)27-10-9-15-8-7-14-5-3-4-6-17(14)23-15/h3-8,11-13H,9-10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant rat PDE10A expressed in Sf9 cells using [3H]cAMP after 30 mins by scintillation proximity assay				J Med Chem 54: 4536-47 (2011) Article DOI: 10.1021/jm2001508 BindingDB Entry DOI: 10.7270/Q2PN961Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50211198 (CHEMBL3961219) Show SMILES COc1cccc2sc(NC3=NCC4(CN5CCC4CC5)O3)nc12 |t:10,THB:21:13:16.17:20.19,(49.13,-16.73,;50.22,-15.65,;49.82,-14.17,;50.91,-13.09,;50.51,-11.6,;49.03,-11.21,;47.95,-12.29,;46.41,-12.21,;45.86,-13.65,;44.37,-14.06,;43.97,-15.54,;44.95,-16.74,;44.11,-18.03,;42.62,-17.64,;42.92,-19.16,;41.43,-18.47,;39.77,-19.19,;39.55,-17.68,;41.15,-16.99,;41.23,-15.21,;41.71,-16.41,;42.54,-16.1,;47.06,-14.62,;48.34,-13.77,)| Show InChI InChI=1S/C17H20N4O2S/c1-22-12-3-2-4-13-14(12)19-16(24-13)20-15-18-9-17(23-15)10-21-7-5-11(17)6-8-21/h2-4,11H,5-10H2,1H3,(H,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT3A expressed in HEK293 cells assessed as reduction in acetylcholine-induced activity preincubated for 30 mins follow...				J Med Chem 59: 11171-11181 (2016) Article DOI: 10.1021/acs.jmedchem.6b01506 BindingDB Entry DOI: 10.7270/Q2NS0X2H
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Rattus norvegicus (rat))	BDBM50350799 (CHEMBL1819134) Show SMILES COc1cc2ncnc(N(C)C)c2cc1OCCc1ccc2ccccc2n1 Show InChI InChI=1S/C22H22N4O2/c1-26(2)22-17-12-21(20(27-3)13-19(17)23-14-24-22)28-11-10-16-9-8-15-6-4-5-7-18(15)25-16/h4-9,12-14H,10-11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant rat PDE10A expressed in Sf9 cells using [3H]cAMP after 30 mins by scintillation proximity assay				J Med Chem 54: 4536-47 (2011) Article DOI: 10.1021/jm2001508 BindingDB Entry DOI: 10.7270/Q2PN961Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50211215 (CHEMBL3898922) Show SMILES C1N=C(Nc2ccccn2)O[C@]11CN2CCC1CC2 |r,wU:11.11,t:1,THB:10:11:14.15:18.17,(46.07,-8.61,;46.9,-7.32,;45.93,-6.12,;46.33,-4.64,;47.81,-4.23,;48.2,-2.75,;49.68,-2.35,;50.78,-3.44,;50.38,-4.92,;48.9,-5.33,;44.5,-6.68,;44.58,-8.22,;44.88,-9.74,;43.39,-9.05,;41.73,-9.76,;41.51,-8.26,;43.11,-7.57,;43.19,-5.78,;43.67,-6.99,)| Show InChI InChI=1S/C14H18N4O/c1-2-6-15-12(3-1)17-13-16-9-14(19-13)10-18-7-4-11(14)5-8-18/h1-3,6,11H,4-5,7-10H2,(H,15,16,17)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT3A expressed in HEK293 cells assessed as reduction in acetylcholine-induced activity preincubated for 30 mins follow...				J Med Chem 59: 11171-11181 (2016) Article DOI: 10.1021/acs.jmedchem.6b01506 BindingDB Entry DOI: 10.7270/Q2NS0X2H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50211215 (CHEMBL3898922) Show SMILES C1N=C(Nc2ccccn2)O[C@]11CN2CCC1CC2 |r,wU:11.11,t:1,THB:10:11:14.15:18.17,(46.07,-8.61,;46.9,-7.32,;45.93,-6.12,;46.33,-4.64,;47.81,-4.23,;48.2,-2.75,;49.68,-2.35,;50.78,-3.44,;50.38,-4.92,;48.9,-5.33,;44.5,-6.68,;44.58,-8.22,;44.88,-9.74,;43.39,-9.05,;41.73,-9.76,;41.51,-8.26,;43.11,-7.57,;43.19,-5.78,;43.67,-6.99,)| Show InChI InChI=1S/C14H18N4O/c1-2-6-15-12(3-1)17-13-16-9-14(19-13)10-18-7-4-11(14)5-8-18/h1-3,6,11H,4-5,7-10H2,(H,15,16,17)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human 5HT3A receptor assessed as inhibition of 5-HT-induced calcium influx by Fluo-4-AM dye based FLIPR assay				Bioorg Med Chem Lett 27: 1261-1266 (2017) Article DOI: 10.1016/j.bmcl.2017.01.058 BindingDB Entry DOI: 10.7270/Q2FJ2K1D
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50211212 (CHEMBL3927589) Show SMILES C1N=C(Nc2ccccn2)OC11CN2CCC1CC2 |t:1,THB:10:11:14.15:18.17,(29.01,-30.28,;29.84,-28.99,;28.87,-27.79,;29.27,-26.3,;30.75,-25.9,;31.14,-24.42,;32.62,-24.01,;33.72,-25.1,;33.32,-26.59,;31.84,-26.99,;27.44,-28.35,;27.52,-29.88,;27.82,-31.4,;26.33,-30.72,;24.67,-31.43,;24.45,-29.93,;26.05,-29.23,;26.13,-27.45,;26.61,-28.66,)| Show InChI InChI=1S/C14H18N4O/c1-2-6-15-12(3-1)17-13-16-9-14(19-13)10-18-7-4-11(14)5-8-18/h1-3,6,11H,4-5,7-10H2,(H,15,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT3A expressed in HEK293 cells assessed as reduction in acetylcholine-induced activity preincubated for 30 mins follow...				J Med Chem 59: 11171-11181 (2016) Article DOI: 10.1021/acs.jmedchem.6b01506 BindingDB Entry DOI: 10.7270/Q2NS0X2H
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Rattus norvegicus (rat))	BDBM50350798 (CHEMBL1738857) Show SMILES COc1cc2cncnc2cc1OCCc1ccc2ccccc2n1 Show InChI InChI=1S/C20H17N3O2/c1-24-19-10-15-12-21-13-22-18(15)11-20(19)25-9-8-16-7-6-14-4-2-3-5-17(14)23-16/h2-7,10-13H,8-9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant rat PDE10A expressed in Sf9 cells using [3H]cAMP after 30 mins by scintillation proximity assay				J Med Chem 54: 4536-47 (2011) Article DOI: 10.1021/jm2001508 BindingDB Entry DOI: 10.7270/Q2PN961Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50211202 (CHEMBL3981300) Show SMILES COc1ccc2sc(NC3=NCC4(CN5CCC4CC5)O3)nc2c1 |t:9,THB:20:12:15.16:19.18,(53.42,-23.9,;53.02,-22.42,;51.54,-22.03,;51.13,-20.54,;49.65,-20.15,;48.58,-21.23,;47.04,-21.15,;46.48,-22.59,;45,-22.99,;44.6,-24.48,;45.57,-25.68,;44.74,-26.97,;43.25,-26.58,;43.55,-28.09,;42.06,-27.41,;40.4,-28.12,;40.18,-26.62,;41.78,-25.92,;41.86,-24.14,;42.33,-25.35,;43.16,-25.04,;47.69,-23.56,;48.97,-22.71,;50.45,-23.11,)| Show InChI InChI=1S/C17H20N4O2S/c1-22-12-2-3-14-13(8-12)19-16(24-14)20-15-18-9-17(23-15)10-21-6-4-11(17)5-7-21/h2-3,8,11H,4-7,9-10H2,1H3,(H,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT3A expressed in HEK293 cells assessed as reduction in acetylcholine-induced activity preincubated for 30 mins follow...				J Med Chem 59: 11171-11181 (2016) Article DOI: 10.1021/acs.jmedchem.6b01506 BindingDB Entry DOI: 10.7270/Q2NS0X2H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50211220 (CHEMBL3970846) Show SMILES C1N=C(Nc2nc3ccccc3s2)O[C@]11CN2CCC1CC2 |r,wU:14.15,t:1,THB:13:14:17.18:21.20,(28.88,-37.4,;29.71,-36.11,;28.74,-34.91,;29.14,-33.42,;30.62,-33.02,;31.83,-33.98,;33.11,-33.14,;34.59,-33.54,;35.68,-32.45,;35.27,-30.97,;33.79,-30.57,;32.72,-31.66,;31.18,-31.58,;27.31,-35.47,;27.39,-37,;27.69,-38.52,;26.2,-37.84,;24.54,-38.55,;24.32,-37.05,;25.92,-36.35,;26,-34.57,;26.47,-35.78,)| Show InChI InChI=1S/C16H18N4OS/c1-2-4-13-12(3-1)18-15(22-13)19-14-17-9-16(21-14)10-20-7-5-11(16)6-8-20/h1-4,11H,5-10H2,(H,17,18,19)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT3A expressed in HEK293 cells assessed as reduction in acetylcholine-induced activity preincubated for 30 mins follow...				J Med Chem 59: 11171-11181 (2016) Article DOI: 10.1021/acs.jmedchem.6b01506 BindingDB Entry DOI: 10.7270/Q2NS0X2H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50211196 (CHEMBL3954179) Show SMILES C1N=C(Nc2nc3ccccc3s2)OC11CN2CCC1CC2 |t:1,THB:13:14:17.18:21.20,(24.52,-9.98,;25.36,-8.69,;24.39,-7.5,;24.78,-6.01,;26.27,-5.61,;27.47,-6.57,;28.75,-5.73,;30.23,-6.12,;31.32,-5.04,;30.92,-3.55,;29.44,-3.16,;28.36,-4.24,;26.82,-4.16,;22.95,-8.05,;23.03,-9.59,;23.33,-11.11,;21.84,-10.42,;20.18,-11.14,;19.97,-9.63,;21.57,-8.94,;21.64,-7.16,;22.12,-8.36,)| Show InChI InChI=1S/C16H18N4OS/c1-2-4-13-12(3-1)18-15(22-13)19-14-17-9-16(21-14)10-20-7-5-11(16)6-8-20/h1-4,11H,5-10H2,(H,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT3A expressed in HEK293 cells assessed as reduction in acetylcholine-induced activity preincubated for 30 mins follow...				J Med Chem 59: 11171-11181 (2016) Article DOI: 10.1021/acs.jmedchem.6b01506 BindingDB Entry DOI: 10.7270/Q2NS0X2H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50232611 (CHEMBL4071859) Show SMILES C1N=C(Nc2ncc3ccccc3n2)O[C@]11CN2CCC1CC2 |r,wU:15.16,t:1,TLB:14:15:19.18:21.22,THB:0:15:19.18:21.22,(28.62,-8.14,;29.77,-7.11,;29.14,-5.71,;29.91,-4.37,;31.46,-4.37,;32.22,-5.71,;33.76,-5.71,;34.53,-4.38,;36.07,-4.38,;36.84,-3.04,;36.06,-1.7,;34.52,-1.7,;33.76,-3.04,;32.22,-3.04,;27.61,-5.87,;27.29,-7.37,;27.28,-8.78,;25.11,-8.25,;25.12,-6.45,;25.69,-5.17,;25.76,-6.7,;24.37,-7.46,;24.04,-9.01,)| Show InChI InChI=1S/C17H19N5O/c1-2-4-14-12(3-1)9-18-15(20-14)21-16-19-10-17(23-16)11-22-7-5-13(17)6-8-22/h1-4,9,13H,5-8,10-11H2,(H,18,19,20,21)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human 5HT3A receptor assessed as inhibition of 5-HT-induced calcium influx by Fluo-4-AM dye based FLIPR assay				Bioorg Med Chem Lett 27: 1261-1266 (2017) Article DOI: 10.1016/j.bmcl.2017.01.058 BindingDB Entry DOI: 10.7270/Q2FJ2K1D
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50232600 (CHEMBL4074583) Show SMILES COc1ccnc(NC2=NC[C@@]3(CN4CCC3CC4)O2)n1 |r,wU:11.20,t:8,TLB:19:11:15.14:17.18,THB:10:11:15.14:17.18,(10.08,-19.52,;10.85,-20.85,;10.08,-22.18,;10.85,-23.52,;10.08,-24.86,;8.54,-24.86,;7.78,-23.52,;6.24,-23.52,;5.46,-24.85,;6.09,-26.26,;4.94,-27.29,;3.61,-26.52,;3.6,-27.93,;1.43,-27.39,;1.44,-25.59,;2.01,-24.32,;2.08,-25.85,;.69,-26.6,;.36,-28.16,;3.93,-25.01,;8.54,-22.19,)| Show InChI InChI=1S/C14H19N5O2/c1-20-11-2-5-15-12(17-11)18-13-16-8-14(21-13)9-19-6-3-10(14)4-7-19/h2,5,10H,3-4,6-9H2,1H3,(H,15,16,17,18)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human 5HT3A receptor assessed as inhibition of 5-HT-induced calcium influx by Fluo-4-AM dye based FLIPR assay				Bioorg Med Chem Lett 27: 1261-1266 (2017) Article DOI: 10.1016/j.bmcl.2017.01.058 BindingDB Entry DOI: 10.7270/Q2FJ2K1D
					More data for this Ligand-Target Pair

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