Compile Data Set for Download or QSAR

Found 1410 hits with Last Name = 'hacksell' and Initial = 'u'   

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 7 (Rattus norvegicus (rat))	BDBM21392 (3-(2-aminoethyl)-1H-indole-5-carboxamide | 5-CT | ...) Show SMILES NCCc1c[nH]c2ccc(cc12)C(N)=O Show InChI InChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	0.0290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity against Rat 5-hydroxytryptamine 7 receptor using [3H]-5-HT				J Med Chem 43: 1339-49 (2001) BindingDB Entry DOI: 10.7270/Q2RJ4HQ3
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(2) dopamine receptor (Homo sapiens (Human))	BDBM21397 (8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals Curated by PDSP Ki Database									J Pharmacol Exp Ther 315: 1278-87 (2005) Article DOI: 10.1124/jpet.105.092155 BindingDB Entry DOI: 10.7270/Q2Z60MNB
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM86187 (CAS_22189-31-7 | NSC_5454 | THIOTHIXENE) Show SMILES CN(C)S(=O)(=O)c1ccc2Sc3ccccc3C(=CCCN3CCN(C)CC3)c2c1 |w:18.19| Show InChI InChI=1S/C23H29N3O2S2/c1-24(2)30(27,28)18-10-11-23-21(17-18)19(20-7-4-5-9-22(20)29-23)8-6-12-26-15-13-25(3)14-16-26/h4-5,7-11,17H,6,12-16H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals Curated by PDSP Ki Database									J Pharmacol Exp Ther 315: 1278-87 (2005) Article DOI: 10.1124/jpet.105.092155 BindingDB Entry DOI: 10.7270/Q2Z60MNB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (Homo sapiens (Human))	BDBM50010096 (CHEMBL12980 | Hydroxy-diphenyl-acetic acid 1-aza-b...) Show SMILES OC(C(=O)OC1CN2CCC1CC2)(c1ccccc1)c1ccccc1 |(5.41,-4.43,;4.65,-5.78,;6.2,-5.78,;6.97,-7.12,;6.97,-4.45,;8.52,-4.1,;8.52,-2.56,;9.86,-1.78,;11.19,-2.56,;11.19,-4.1,;9.86,-4.88,;9.09,-3.78,;9.09,-2.9,;3.1,-5.81,;2.36,-7.19,;.82,-7.2,;.01,-5.88,;.78,-4.52,;2.32,-4.49,;4.65,-7.23,;3.39,-7.96,;3.38,-9.41,;4.64,-10.15,;5.91,-9.42,;5.91,-7.97,)| Show InChI InChI=1S/C21H23NO3/c23-20(25-19-15-22-13-11-16(19)12-14-22)21(24,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,16,19,24H,11-15H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.0450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Ability of compound to displace (-)-[3H]3-Quinuclidinyl benzilate (-)-[3H]-QNB from Muscarinic acetylcholine receptors in the heart from Guinea Pig.				J Med Chem 40: 3804-19 (1997) Article DOI: 10.1021/jm970346t BindingDB Entry DOI: 10.7270/Q2XG9TVC
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50010096 (CHEMBL12980 | Hydroxy-diphenyl-acetic acid 1-aza-b...) Show SMILES OC(C(=O)OC1CN2CCC1CC2)(c1ccccc1)c1ccccc1 |(5.41,-4.43,;4.65,-5.78,;6.2,-5.78,;6.97,-7.12,;6.97,-4.45,;8.52,-4.1,;8.52,-2.56,;9.86,-1.78,;11.19,-2.56,;11.19,-4.1,;9.86,-4.88,;9.09,-3.78,;9.09,-2.9,;3.1,-5.81,;2.36,-7.19,;.82,-7.2,;.01,-5.88,;.78,-4.52,;2.32,-4.49,;4.65,-7.23,;3.39,-7.96,;3.38,-9.41,;4.64,-10.15,;5.91,-9.42,;5.91,-7.97,)| Show InChI InChI=1S/C21H23NO3/c23-20(25-19-15-22-13-11-16(19)12-14-22)21(24,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,16,19,24H,11-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	0.0450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity for muscarinic acetylcholine receptor M2 by measuring displacement of [3H]-QNB from guinea pig heart				J Med Chem 38: 473-87 (1995) BindingDB Entry DOI: 10.7270/Q25Q4V42
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (Homo sapiens (Human))	BDBM50010096 (CHEMBL12980 | Hydroxy-diphenyl-acetic acid 1-aza-b...) Show SMILES OC(C(=O)OC1CN2CCC1CC2)(c1ccccc1)c1ccccc1 |(5.41,-4.43,;4.65,-5.78,;6.2,-5.78,;6.97,-7.12,;6.97,-4.45,;8.52,-4.1,;8.52,-2.56,;9.86,-1.78,;11.19,-2.56,;11.19,-4.1,;9.86,-4.88,;9.09,-3.78,;9.09,-2.9,;3.1,-5.81,;2.36,-7.19,;.82,-7.2,;.01,-5.88,;.78,-4.52,;2.32,-4.49,;4.65,-7.23,;3.39,-7.96,;3.38,-9.41,;4.64,-10.15,;5.91,-9.42,;5.91,-7.97,)| Show InChI InChI=1S/C21H23NO3/c23-20(25-19-15-22-13-11-16(19)12-14-22)21(24,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,16,19,24H,11-15H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.0510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Ability of compound to displace (-)-[3H]3-Quinuclidinyl benzilate (-)-[3H]-QNB from Muscarinic acetylcholine receptors in cerebral cortex from Guinea...				J Med Chem 40: 3804-19 (1997) Article DOI: 10.1021/jm970346t BindingDB Entry DOI: 10.7270/Q2XG9TVC
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50010096 (CHEMBL12980 | Hydroxy-diphenyl-acetic acid 1-aza-b...) Show SMILES OC(C(=O)OC1CN2CCC1CC2)(c1ccccc1)c1ccccc1 |(5.41,-4.43,;4.65,-5.78,;6.2,-5.78,;6.97,-7.12,;6.97,-4.45,;8.52,-4.1,;8.52,-2.56,;9.86,-1.78,;11.19,-2.56,;11.19,-4.1,;9.86,-4.88,;9.09,-3.78,;9.09,-2.9,;3.1,-5.81,;2.36,-7.19,;.82,-7.2,;.01,-5.88,;.78,-4.52,;2.32,-4.49,;4.65,-7.23,;3.39,-7.96,;3.38,-9.41,;4.64,-10.15,;5.91,-9.42,;5.91,-7.97,)| Show InChI InChI=1S/C21H23NO3/c23-20(25-19-15-22-13-11-16(19)12-14-22)21(24,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,16,19,24H,11-15H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	0.0510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity for muscarinic acetylcholine receptor M1 by measuring displacement of [3H]-QNB from guinea pig cerebral cortex				J Med Chem 38: 473-87 (1995) BindingDB Entry DOI: 10.7270/Q25Q4V42
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM81486 (CAS_1050-79-9 | MOPERONE | NSC_4249) Show SMILES Cc1ccc(cc1)C1(O)CCN(CCCC(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C22H26FNO2/c1-17-4-8-19(9-5-17)22(26)12-15-24(16-13-22)14-2-3-21(25)18-6-10-20(23)11-7-18/h4-11,26H,2-3,12-16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals Curated by PDSP Ki Database									J Pharmacol Exp Ther 315: 1278-87 (2005) Article DOI: 10.1124/jpet.105.092155 BindingDB Entry DOI: 10.7270/Q2Z60MNB
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM84734 (CAS_129029-23-8 | NSC_71351 | Ocaperidone) Show SMILES Cc1cccn2c1nc(C)c(CCN1CCC(CC1)c1noc3cc(F)ccc13)c2=O Show InChI InChI=1S/C24H25FN4O2/c1-15-4-3-10-29-23(15)26-16(2)19(24(29)30)9-13-28-11-7-17(8-12-28)22-20-6-5-18(25)14-21(20)31-27-22/h3-6,10,14,17H,7-9,11-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals Curated by PDSP Ki Database									J Pharmacol Exp Ther 315: 1278-87 (2005) Article DOI: 10.1124/jpet.105.092155 BindingDB Entry DOI: 10.7270/Q2Z60MNB
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50252513 (3-(2-(4-(6-fluorobenzo[d]isoxazol-3-yl)piperidin-1...) Show SMILES Cc1nc2C(O)CCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H27FN4O3/c1-14-17(23(30)28-9-2-3-19(29)22(28)25-14)8-12-27-10-6-15(7-11-27)21-18-5-4-16(24)13-20(18)31-26-21/h4-5,13,15,19,29H,2-3,6-12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals Curated by PDSP Ki Database									J Pharmacol Exp Ther 315: 1278-87 (2005) Article DOI: 10.1124/jpet.105.092155 BindingDB Entry DOI: 10.7270/Q2Z60MNB
					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	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Displacement of [3H]-quinpirole from Dopamine receptor D2				J Med Chem 39: 4421-9 (1996) Article DOI: 10.1021/jm960350p BindingDB Entry DOI: 10.7270/Q21G0KCQ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM78434 (2-chloranyl-10-[3-(4-methylpiperazin-1-yl)propyl]p...) Show SMILES CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)CC1 Show InChI InChI=1S/C20H24ClN3S/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24/h2-3,5-8,15H,4,9-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	DrugBank Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals Curated by PDSP Ki Database									J Pharmacol Exp Ther 315: 1278-87 (2005) Article DOI: 10.1124/jpet.105.092155 BindingDB Entry DOI: 10.7270/Q2Z60MNB
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM86723 (CAS_14759-06-9 | NSC_31765 | sulforidazine) Show SMILES CN1CCCCC1CCN1c2ccccc2Sc2ccc(cc12)S(C)(=O)=O Show InChI InChI=1S/C21H26N2O2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)26-21-11-10-17(15-19(21)23)27(2,24)25/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals Curated by PDSP Ki Database									J Pharmacol Exp Ther 315: 1278-87 (2005) Article DOI: 10.1124/jpet.105.092155 BindingDB Entry DOI: 10.7270/Q2Z60MNB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (Homo sapiens (Human))	BDBM50010096 (CHEMBL12980 | Hydroxy-diphenyl-acetic acid 1-aza-b...) Show SMILES OC(C(=O)OC1CN2CCC1CC2)(c1ccccc1)c1ccccc1 |(5.41,-4.43,;4.65,-5.78,;6.2,-5.78,;6.97,-7.12,;6.97,-4.45,;8.52,-4.1,;8.52,-2.56,;9.86,-1.78,;11.19,-2.56,;11.19,-4.1,;9.86,-4.88,;9.09,-3.78,;9.09,-2.9,;3.1,-5.81,;2.36,-7.19,;.82,-7.2,;.01,-5.88,;.78,-4.52,;2.32,-4.49,;4.65,-7.23,;3.39,-7.96,;3.38,-9.41,;4.64,-10.15,;5.91,-9.42,;5.91,-7.97,)| Show InChI InChI=1S/C21H23NO3/c23-20(25-19-15-22-13-11-16(19)12-14-22)21(24,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,16,19,24H,11-15H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Affinity for Muscarinic acetylcholine receptors in urinary bladder from Guinea Pig by (-)-[3H]3-Quinuclidinyl benzilate (-)-[3H]-QNB displacement.				J Med Chem 40: 3804-19 (1997) Article DOI: 10.1021/jm970346t BindingDB Entry DOI: 10.7270/Q2XG9TVC
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM86187 (CAS_22189-31-7 | NSC_5454 | THIOTHIXENE) Show SMILES CN(C)S(=O)(=O)c1ccc2Sc3ccccc3C(=CCCN3CCN(C)CC3)c2c1 |w:18.19| Show InChI InChI=1S/C23H29N3O2S2/c1-24(2)30(27,28)18-10-11-23-21(17-18)19(20-7-4-5-9-22(20)29-23)8-6-12-26-15-13-25(3)14-16-26/h4-5,7-11,17H,6,12-16H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals Curated by PDSP Ki Database									J Pharmacol Exp Ther 315: 1278-87 (2005) Article DOI: 10.1124/jpet.105.092155 BindingDB Entry DOI: 10.7270/Q2Z60MNB
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM81493 (CAS_749-13-3 | TRIFLUORPERIDOL) Show SMILES OC1(CCN(CC1)C(F)CCC(=O)c1ccccc1)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C22H23F4NO2/c23-20(10-9-19(28)16-5-2-1-3-6-16)27-13-11-21(29,12-14-27)17-7-4-8-18(15-17)22(24,25)26/h1-8,15,20,29H,9-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals Curated by PDSP Ki Database									J Pharmacol Exp Ther 315: 1278-87 (2005) Article DOI: 10.1124/jpet.105.092155 BindingDB Entry DOI: 10.7270/Q2Z60MNB
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM81484 (BROMPERIDOL | Bromoperidol | CAS_2448 | NSC_2448) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Br)cc1 Show InChI InChI=1S/C21H23BrFNO2/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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals Curated by PDSP Ki Database									J Pharmacol Exp Ther 315: 1278-87 (2005) Article DOI: 10.1124/jpet.105.092155 BindingDB Entry DOI: 10.7270/Q2Z60MNB
					More data for this Ligand-Target Pair
D(3) 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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals Curated by PDSP Ki Database									J Pharmacol Exp Ther 315: 1278-87 (2005) Article DOI: 10.1124/jpet.105.092155 BindingDB Entry DOI: 10.7270/Q2Z60MNB
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM22872 (1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-y...) Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(Cl)cc12 Show InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals Curated by PDSP Ki Database									J Pharmacol Exp Ther 315: 1278-87 (2005) Article DOI: 10.1124/jpet.105.092155 BindingDB Entry DOI: 10.7270/Q2Z60MNB
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50334150 (1-(1-(4,4-bis(4-fluorophenyl)butyl)piperidin-4-yl)...) Show SMILES Fc1ccc(cc1)C(CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(F)cc1 Show InChI InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals Curated by PDSP Ki Database									J Pharmacol Exp Ther 315: 1278-87 (2005) Article DOI: 10.1124/jpet.105.092155 BindingDB Entry DOI: 10.7270/Q2Z60MNB
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM21397 (8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals Curated by PDSP Ki Database									J Pharmacol Exp Ther 315: 1278-87 (2005) Article DOI: 10.1124/jpet.105.092155 BindingDB Entry DOI: 10.7270/Q2Z60MNB
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM22872 (1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-y...) Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(Cl)cc12 Show InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals Curated by PDSP Ki Database									J Pharmacol Exp Ther 315: 1278-87 (2005) Article DOI: 10.1124/jpet.105.092155 BindingDB Entry DOI: 10.7270/Q2Z60MNB
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM26948 (8-[4,4-bis(4-fluorophenyl)butyl]-1-phenyl-1,3,8-tr...) Show SMILES Fc1ccc(cc1)C(CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(F)cc1 Show InChI InChI=1S/C29H31F2N3O/c30-24-12-8-22(9-13-24)27(23-10-14-25(31)15-11-23)7-4-18-33-19-16-29(17-20-33)28(35)32-21-34(29)26-5-2-1-3-6-26/h1-3,5-6,8-15,27H,4,7,16-21H2,(H,32,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals Curated by PDSP Ki Database									J Pharmacol Exp Ther 315: 1278-87 (2005) Article DOI: 10.1124/jpet.105.092155 BindingDB Entry DOI: 10.7270/Q2Z60MNB
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM86722 (CAS_53772-82-0 | CAS_53772-85-3 | FLUPENTHIXOL, Al...) Show SMILES OCCN1CCN(CCC=C2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1 |w:9.8| Show InChI InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals Curated by PDSP Ki Database									J Pharmacol Exp Ther 315: 1278-87 (2005) Article DOI: 10.1124/jpet.105.092155 BindingDB Entry DOI: 10.7270/Q2Z60MNB
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM78433 (2-[4-[3-[2-(trifluoromethyl)-10-phenothiazinyl]pro...) Show SMILES OCCN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1 Show InChI InChI=1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	DrugBank Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals Curated by PDSP Ki Database									J Pharmacol Exp Ther 315: 1278-87 (2005) Article DOI: 10.1124/jpet.105.092155 BindingDB Entry DOI: 10.7270/Q2Z60MNB
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM26948 (8-[4,4-bis(4-fluorophenyl)butyl]-1-phenyl-1,3,8-tr...) Show SMILES Fc1ccc(cc1)C(CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(F)cc1 Show InChI InChI=1S/C29H31F2N3O/c30-24-12-8-22(9-13-24)27(23-10-14-25(31)15-11-23)7-4-18-33-19-16-29(17-20-33)28(35)32-21-34(29)26-5-2-1-3-6-26/h1-3,5-6,8-15,27H,4,7,16-21H2,(H,32,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals Curated by PDSP Ki Database									J Pharmacol Exp Ther 315: 1278-87 (2005) Article DOI: 10.1124/jpet.105.092155 BindingDB Entry DOI: 10.7270/Q2Z60MNB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (Homo sapiens (Human))	BDBM50010096 (CHEMBL12980 | Hydroxy-diphenyl-acetic acid 1-aza-b...) Show SMILES OC(C(=O)OC1CN2CCC1CC2)(c1ccccc1)c1ccccc1 |(5.41,-4.43,;4.65,-5.78,;6.2,-5.78,;6.97,-7.12,;6.97,-4.45,;8.52,-4.1,;8.52,-2.56,;9.86,-1.78,;11.19,-2.56,;11.19,-4.1,;9.86,-4.88,;9.09,-3.78,;9.09,-2.9,;3.1,-5.81,;2.36,-7.19,;.82,-7.2,;.01,-5.88,;.78,-4.52,;2.32,-4.49,;4.65,-7.23,;3.39,-7.96,;3.38,-9.41,;4.64,-10.15,;5.91,-9.42,;5.91,-7.97,)| Show InChI InChI=1S/C21H23NO3/c23-20(25-19-15-22-13-11-16(19)12-14-22)21(24,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,16,19,24H,11-15H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Ability of compound to displace (-)-[3H]3-Quinuclidinyl benzilate (-)-[3H]-QNB from Muscarinic acetylcholine receptors in the parotid gland from Guin...				J Med Chem 40: 3804-19 (1997) Article DOI: 10.1021/jm970346t BindingDB Entry DOI: 10.7270/Q2XG9TVC
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor (Cavia porcellus)	BDBM50010096 (CHEMBL12980 | Hydroxy-diphenyl-acetic acid 1-aza-b...) Show SMILES OC(C(=O)OC1CN2CCC1CC2)(c1ccccc1)c1ccccc1 |(5.41,-4.43,;4.65,-5.78,;6.2,-5.78,;6.97,-7.12,;6.97,-4.45,;8.52,-4.1,;8.52,-2.56,;9.86,-1.78,;11.19,-2.56,;11.19,-4.1,;9.86,-4.88,;9.09,-3.78,;9.09,-2.9,;3.1,-5.81,;2.36,-7.19,;.82,-7.2,;.01,-5.88,;.78,-4.52,;2.32,-4.49,;4.65,-7.23,;3.39,-7.96,;3.38,-9.41,;4.64,-10.15,;5.91,-9.42,;5.91,-7.97,)| Show InChI InChI=1S/C21H23NO3/c23-20(25-19-15-22-13-11-16(19)12-14-22)21(24,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,16,19,24H,11-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity for muscarinic acetylcholine receptor M3 by measuring displacement of [3H]-QNB from guinea pig parotid gland				J Med Chem 38: 473-87 (1995) BindingDB Entry DOI: 10.7270/Q25Q4V42
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50054342 (8-{4-[((R)-5-Fluoro-1,2,3,4-tetrahydro-naphthalen-...) Show SMILES CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)[C@@H]1CCc2c(F)cccc2C1 Show InChI InChI=1S/C26H37FN2O2/c1-2-14-28(21-10-11-22-20(17-21)8-7-9-23(22)27)15-5-6-16-29-24(30)18-26(19-25(29)31)12-3-4-13-26/h7-9,21H,2-6,10-19H2,1H3/t21-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.246	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor				J Med Chem 39: 4421-9 (1996) Article DOI: 10.1021/jm960350p BindingDB Entry DOI: 10.7270/Q21G0KCQ
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50054342 (8-{4-[((R)-5-Fluoro-1,2,3,4-tetrahydro-naphthalen-...) Show SMILES CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)[C@@H]1CCc2c(F)cccc2C1 Show InChI InChI=1S/C26H37FN2O2/c1-2-14-28(21-10-11-22-20(17-21)8-7-9-23(22)27)15-5-6-16-29-24(30)18-26(19-25(29)31)12-3-4-13-26/h7-9,21H,2-6,10-19H2,1H3/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Displacement of [3H]-raclopride from Dopamine receptor D3				J Med Chem 39: 4421-9 (1996) Article DOI: 10.1021/jm960350p BindingDB Entry DOI: 10.7270/Q21G0KCQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (Homo sapiens (Human))	BDBM50471463 (CHEMBL331497) Show SMILES Oc1cccc(c1)-c1ccoc1C1=CN2CCC1CC2 |t:14,(16.5,.02,;16.18,-1.49,;14.73,-1.97,;14.42,-3.5,;15.56,-4.5,;17.01,-4.02,;17.34,-2.51,;18.17,-5.05,;19.65,-4.72,;20.44,-6.06,;19.42,-7.2,;18.01,-6.58,;16.66,-7.35,;16.66,-8.89,;15.34,-9.66,;16.08,-8.32,;14.6,-7.9,;15.34,-6.58,;14,-7.35,;14,-8.89,)| Show InChI InChI=1S/C17H17NO2/c19-14-3-1-2-13(10-14)15-6-9-20-17(15)16-11-18-7-4-12(16)5-8-18/h1-3,6,9-12,19H,4-5,7-8H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Ability of compound to displace (-)-[3H]3-Quinuclidinyl benzilate (-)-[3H]-QNB from Muscarinic acetylcholine receptors in cerebral cortex from Guinea...				J Med Chem 40: 3804-19 (1997) Article DOI: 10.1021/jm970346t BindingDB Entry DOI: 10.7270/Q2XG9TVC
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM86721 (BUTACLAMOL | CAS_51152-91-1 | NSC_37459 | US111478...) Show SMILES CC(C)(C)C1(O)CCN2CC3c4ccccc4CCc4cccc(C2C1)c34 Show InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals Curated by PDSP Ki Database									J Pharmacol Exp Ther 315: 1278-87 (2005) Article DOI: 10.1124/jpet.105.092155 BindingDB Entry DOI: 10.7270/Q2Z60MNB
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50001885 ((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...) Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals Curated by PDSP Ki Database									J Pharmacol Exp Ther 315: 1278-87 (2005) Article DOI: 10.1124/jpet.105.092155 BindingDB Entry DOI: 10.7270/Q2Z60MNB
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM21397 (8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals Curated by PDSP Ki Database									J Pharmacol Exp Ther 315: 1278-87 (2005) Article DOI: 10.1124/jpet.105.092155 BindingDB Entry DOI: 10.7270/Q2Z60MNB
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM86723 (CAS_14759-06-9 | NSC_31765 | sulforidazine) Show SMILES CN1CCCCC1CCN1c2ccccc2Sc2ccc(cc12)S(C)(=O)=O Show InChI InChI=1S/C21H26N2O2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)26-21-11-10-17(15-19(21)23)27(2,24)25/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals Curated by PDSP Ki Database									J Pharmacol Exp Ther 315: 1278-87 (2005) Article DOI: 10.1124/jpet.105.092155 BindingDB Entry DOI: 10.7270/Q2Z60MNB
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50002012 ((trans) 2-{4-[3-(4-Fluoro-phenyl)-6-trifluoromethy...) Show SMILES OCCN1CCN(CC1)C1CC(c2ccc(cc12)C(F)(F)F)c1ccc(F)cc1 Show InChI InChI=1S/C22H24F4N2O/c23-17-4-1-15(2-5-17)19-14-21(28-9-7-27(8-10-28)11-12-29)20-13-16(22(24,25)26)3-6-18(19)20/h1-6,13,19,21,29H,7-12,14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals Curated by PDSP Ki Database									J Pharmacol Exp Ther 315: 1278-87 (2005) Article DOI: 10.1124/jpet.105.092155 BindingDB Entry DOI: 10.7270/Q2Z60MNB
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50334150 (1-(1-(4,4-bis(4-fluorophenyl)butyl)piperidin-4-yl)...) Show SMILES Fc1ccc(cc1)C(CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(F)cc1 Show InChI InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals Curated by PDSP Ki Database									J Pharmacol Exp Ther 315: 1278-87 (2005) Article DOI: 10.1124/jpet.105.092155 BindingDB Entry DOI: 10.7270/Q2Z60MNB
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM86187 (CAS_22189-31-7 | NSC_5454 | THIOTHIXENE) Show SMILES CN(C)S(=O)(=O)c1ccc2Sc3ccccc3C(=CCCN3CCN(C)CC3)c2c1 |w:18.19| Show InChI InChI=1S/C23H29N3O2S2/c1-24(2)30(27,28)18-10-11-23-21(17-18)19(20-7-4-5-9-22(20)29-23)8-6-12-26-15-13-25(3)14-16-26/h4-5,7-11,17H,6,12-16H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals Curated by PDSP Ki Database									J Pharmacol Exp Ther 315: 1278-87 (2005) Article DOI: 10.1124/jpet.105.092155 BindingDB Entry DOI: 10.7270/Q2Z60MNB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (Homo sapiens (Human))	BDBM50403547 (ATROPEN | ATROPINE) Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	DrugBank Article PubMed	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Ability of compound to displace (-)-[3H]3-Quinuclidinyl benzilate (-)-[3H]-QNB from Muscarinic acetylcholine receptors in cerebral cortex from Guinea...				J Med Chem 40: 3804-19 (1997) Article DOI: 10.1021/jm970346t BindingDB Entry DOI: 10.7270/Q2XG9TVC
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM84734 (CAS_129029-23-8 | NSC_71351 | Ocaperidone) Show SMILES Cc1cccn2c1nc(C)c(CCN1CCC(CC1)c1noc3cc(F)ccc13)c2=O Show InChI InChI=1S/C24H25FN4O2/c1-15-4-3-10-29-23(15)26-16(2)19(24(29)30)9-13-28-11-7-17(8-12-28)22-20-6-5-18(25)14-21(20)31-27-22/h3-6,10,14,17H,7-9,11-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals Curated by PDSP Ki Database									J Pharmacol Exp Ther 315: 1278-87 (2005) Article DOI: 10.1124/jpet.105.092155 BindingDB Entry DOI: 10.7270/Q2Z60MNB
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM81493 (CAS_749-13-3 | TRIFLUORPERIDOL) Show SMILES OC1(CCN(CC1)C(F)CCC(=O)c1ccccc1)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C22H23F4NO2/c23-20(10-9-19(28)16-5-2-1-3-6-16)27-13-11-21(29,12-14-27)17-7-4-8-18(15-17)22(24,25)26/h1-8,15,20,29H,9-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals Curated by PDSP Ki Database									J Pharmacol Exp Ther 315: 1278-87 (2005) Article DOI: 10.1124/jpet.105.092155 BindingDB Entry DOI: 10.7270/Q2Z60MNB
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM78433 (2-[4-[3-[2-(trifluoromethyl)-10-phenothiazinyl]pro...) Show SMILES OCCN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1 Show InChI InChI=1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	DrugBank Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals Curated by PDSP Ki Database									J Pharmacol Exp Ther 315: 1278-87 (2005) Article DOI: 10.1124/jpet.105.092155 BindingDB Entry DOI: 10.7270/Q2Z60MNB
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM86721 (BUTACLAMOL | CAS_51152-91-1 | NSC_37459 | US111478...) Show SMILES CC(C)(C)C1(O)CCN2CC3c4ccccc4CCc4cccc(C2C1)c34 Show InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals Curated by PDSP Ki Database									J Pharmacol Exp Ther 315: 1278-87 (2005) Article DOI: 10.1124/jpet.105.092155 BindingDB Entry DOI: 10.7270/Q2Z60MNB
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM26948 (8-[4,4-bis(4-fluorophenyl)butyl]-1-phenyl-1,3,8-tr...) Show SMILES Fc1ccc(cc1)C(CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(F)cc1 Show InChI InChI=1S/C29H31F2N3O/c30-24-12-8-22(9-13-24)27(23-10-14-25(31)15-11-23)7-4-18-33-19-16-29(17-20-33)28(35)32-21-34(29)26-5-2-1-3-6-26/h1-3,5-6,8-15,27H,4,7,16-21H2,(H,32,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals Curated by PDSP Ki Database									J Pharmacol Exp Ther 315: 1278-87 (2005) Article DOI: 10.1124/jpet.105.092155 BindingDB Entry DOI: 10.7270/Q2Z60MNB
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM22872 (1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-y...) Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(Cl)cc12 Show InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals Curated by PDSP Ki Database									J Pharmacol Exp Ther 315: 1278-87 (2005) Article DOI: 10.1124/jpet.105.092155 BindingDB Entry DOI: 10.7270/Q2Z60MNB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50036286 ((R)-(-)-10-methyl-11-hydroxyaporphine | (R)-6,10-d...) Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(C)c(O)c-31 Show InChI InChI=1S/C18H19NO/c1-11-6-7-13-10-15-16-12(8-9-19(15)2)4-3-5-14(16)17(13)18(11)20/h3-7,15,20H,8-10H2,1-2H3/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Ability to displace [3H]-8-OH-DPAT binding to rat hippocampal 5-hydroxytryptamine 1A receptor				J Med Chem 38: 647-58 (1995) BindingDB Entry DOI: 10.7270/Q2HX1BQH
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50010637 ((S)-3,5-Dichloro-N-(1-ethyl-pyrrolidin-2-ylmethyl)...) Show SMILES CCN1CCCC1CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC Show InChI InChI=1S/C15H20Cl2N2O3/c1-3-19-6-4-5-9(19)8-18-15(21)12-13(20)10(16)7-11(17)14(12)22-2/h7,9,20H,3-6,8H2,1-2H3,(H,18,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals Curated by PDSP Ki Database									J Pharmacol Exp Ther 315: 1278-87 (2005) Article DOI: 10.1124/jpet.105.092155 BindingDB Entry DOI: 10.7270/Q2Z60MNB
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM86722 (CAS_53772-82-0 | CAS_53772-85-3 | FLUPENTHIXOL, Al...) Show SMILES OCCN1CCN(CCC=C2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1 |w:9.8| Show InChI InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals Curated by PDSP Ki Database									J Pharmacol Exp Ther 315: 1278-87 (2005) Article DOI: 10.1124/jpet.105.092155 BindingDB Entry DOI: 10.7270/Q2Z60MNB
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM86187 (CAS_22189-31-7 | NSC_5454 | THIOTHIXENE) Show SMILES CN(C)S(=O)(=O)c1ccc2Sc3ccccc3C(=CCCN3CCN(C)CC3)c2c1 |w:18.19| Show InChI InChI=1S/C23H29N3O2S2/c1-24(2)30(27,28)18-10-11-23-21(17-18)19(20-7-4-5-9-22(20)29-23)8-6-12-26-15-13-25(3)14-16-26/h4-5,7-11,17H,6,12-16H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals Curated by PDSP Ki Database									J Pharmacol Exp Ther 315: 1278-87 (2005) Article DOI: 10.1124/jpet.105.092155 BindingDB Entry DOI: 10.7270/Q2Z60MNB
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50334150 (1-(1-(4,4-bis(4-fluorophenyl)butyl)piperidin-4-yl)...) Show SMILES Fc1ccc(cc1)C(CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(F)cc1 Show InChI InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34)	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	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals Curated by PDSP Ki Database									J Pharmacol Exp Ther 315: 1278-87 (2005) Article DOI: 10.1124/jpet.105.092155 BindingDB Entry DOI: 10.7270/Q2Z60MNB
					More data for this Ligand-Target Pair

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