Compile Data Set for Download or QSAR

Found 1977 hits with Last Name = 'huang' and Initial = 'xp'   

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
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50183266 (Anquil | Benperidol | Benquil | MCN-JR-4584 | R-45...) Show SMILES Oc1nc2ccccc2n1C1CCN(CCCC(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C22H24FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-10,18H,3,6,11-15H2,(H,24,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A&M University Curated by ChEMBL					Assay Description Binding affinity to human dopamine D2 receptor by radioligand displacement assay				Bioorg Med Chem 24: 3671-9 (2016) Article DOI: 10.1016/j.bmc.2016.06.011 BindingDB Entry DOI: 10.7270/Q2W66NPV
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50183266 (Anquil | Benperidol | Benquil | MCN-JR-4584 | R-45...) Show SMILES Oc1nc2ccccc2n1C1CCN(CCCC(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C22H24FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-10,18H,3,6,11-15H2,(H,24,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A&M University Curated by ChEMBL					Assay Description Binding affinity to human dopamine D4 receptor by radioligand displacement assay				Bioorg Med Chem 24: 3671-9 (2016) Article DOI: 10.1016/j.bmc.2016.06.011 BindingDB Entry DOI: 10.7270/Q2W66NPV
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50107697 (1-[4-(1-methyl-1,2,3,6-tetrahydro-5-pyridinyl)-1,2...) Show SMILES CN1CCC=C(C1)c1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 |c:4,t:33| Show InChI InChI=1S/C24H36N6O5S2/c1-29-7-3-5-19(17-29)21-23(27-36-25-21)34-15-13-32-11-9-31-10-12-33-14-16-35-24-22(26-37-28-24)20-6-4-8-30(2)18-20/h5-6H,3-4,7-18H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Toledo Curated by ChEMBL					Assay Description Binding affinity towards M1 muscarinic receptor expressed in A9 L cells by diaplacing [3H]-(R)-QNB radioligand.				J Med Chem 44: 4563-76 (2001) BindingDB Entry DOI: 10.7270/Q2765DN7
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50107698 (1,8-di[4-(1-methyl-1,2,3,6-tetrahydro-5-pyridinyl)...) Show SMILES CN1CCC=C(C1)c1nsnc1OCCCCCCCCOc1nsnc1C1=CCCN(C)C1 |c:4,t:30| Show InChI InChI=1S/C24H36N6O2S2/c1-29-13-9-11-19(17-29)21-23(27-33-25-21)31-15-7-5-3-4-6-8-16-32-24-22(26-34-28-24)20-12-10-14-30(2)18-20/h11-12H,3-10,13-18H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Toledo Curated by ChEMBL					Assay Description Binding affinity towards M1 muscarinic receptor expressed in A9 L cells by diaplacing [3H]-(R)-QNB radioligand.				J Med Chem 44: 4563-76 (2001) BindingDB Entry DOI: 10.7270/Q2765DN7
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50107712 (1,10-di[4-(1-methyl-1,2,3,6-tetrahydro-5-pyridinyl...) Show SMILES CN1CCC=C(C1)c1nsnc1OCCCCCCCCCCOc1nsnc1C1=CCCN(C)C1 |c:4,t:32| Show InChI InChI=1S/C26H40N6O2S2/c1-31-15-11-13-21(19-31)23-25(29-35-27-23)33-17-9-7-5-3-4-6-8-10-18-34-26-24(28-36-30-26)22-14-12-16-32(2)20-22/h13-14H,3-12,15-20H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Toledo Curated by ChEMBL					Assay Description Binding affinity towards M1 muscarinic receptor expressed in A9 L cells by diaplacing [3H]-(R)-QNB radioligand.				J Med Chem 44: 4563-76 (2001) BindingDB Entry DOI: 10.7270/Q2765DN7
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50183266 (Anquil | Benperidol | Benquil | MCN-JR-4584 | R-45...) Show SMILES Oc1nc2ccccc2n1C1CCN(CCCC(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C22H24FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-10,18H,3,6,11-15H2,(H,24,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A&M University Curated by ChEMBL					Assay Description Displacement of [125I]-IABN from human recombinant dopamine D3 receptor expressed in HEK293 cell membrane incubated for 60 mins filtration binding as...				Bioorg Med Chem 24: 3671-9 (2016) Article DOI: 10.1016/j.bmc.2016.06.011 BindingDB Entry DOI: 10.7270/Q2W66NPV
					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	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A&M University Curated by ChEMBL					Assay Description Binding affinity to dopamine D3 receptor (unknown origin)				Bioorg Med Chem 24: 3671-9 (2016) Article DOI: 10.1016/j.bmc.2016.06.011 BindingDB Entry DOI: 10.7270/Q2W66NPV
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50107702 (1,10-di[4-(1-methyl-1,2,3,6-tetrahydro-5-pyridinyl...) Show SMILES CN1CCC=C(C1)c1nsnc1SCCCCCCCCCCSc1nsnc1C1=CCCN(C)C1 |c:4,t:32| Show InChI InChI=1S/C26H40N6S4/c1-31-15-11-13-21(19-31)23-25(29-35-27-23)33-17-9-7-5-3-4-6-8-10-18-34-26-24(28-36-30-26)22-14-12-16-32(2)20-22/h13-14H,3-12,15-20H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Toledo Curated by ChEMBL					Assay Description Binding affinity towards M1 muscarinic receptor expressed in A9 L cells by diaplacing [3H]-(R)-QNB radioligand.				J Med Chem 44: 4563-76 (2001) BindingDB Entry DOI: 10.7270/Q2765DN7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50130293 (7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...) Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)	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	0.360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A&M University Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5-HT2B receptor expressed in cell membranes after 1 hr by liquid scintillation counting				Bioorg Med Chem 24: 3464-71 (2016) Article DOI: 10.1016/j.bmc.2016.05.053 BindingDB Entry DOI: 10.7270/Q2X63PVP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50017721 (1-Methyl-4-(5H-dibenzo(a,d)cycloheptenylidene)pipe...) Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccccc2-[#6]=[#6]-c2ccccc-12 |c:16| Show InChI InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3	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	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Biological Sciences Curated by ChEMBL					Assay Description Antagonist activity at 5HT2A receptor				J Med Chem 55: 5749-59 (2012) Article DOI: 10.1021/jm300338m BindingDB Entry DOI: 10.7270/Q2FQ9XQW
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50107709 (1,11-di[4-(1-methyl-1,2,3,6-tetrahydro-5-pyridinyl...) Show SMILES CN1CCC=C(C1)c1nsnc1SCCCCCCCCCCCSc1nsnc1C1=CCCN(C)C1 |c:4,t:33| Show InChI InChI=1S/C27H42N6S4/c1-32-16-12-14-22(20-32)24-26(30-36-28-24)34-18-10-8-6-4-3-5-7-9-11-19-35-27-25(29-37-31-27)23-15-13-17-33(2)21-23/h14-15H,3-13,16-21H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Toledo Curated by ChEMBL					Assay Description Binding affinity towards M1 muscarinic receptor expressed in A9 L cells by diaplacing [3H]-(R)-QNB radioligand.				J Med Chem 44: 4563-76 (2001) BindingDB Entry DOI: 10.7270/Q2765DN7
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50107708 (1,6-di[4-(1-methyl-1,2,3,6-tetrahydro-5-pyridinyl)...) Show SMILES CN1CCC=C(C1)c1nsnc1OCCCCCCOc1nsnc1C1=CCCN(C)C1 |c:4,t:28| Show InChI InChI=1S/C22H32N6O2S2/c1-27-11-7-9-17(15-27)19-21(25-31-23-19)29-13-5-3-4-6-14-30-22-20(24-32-26-22)18-10-8-12-28(2)16-18/h9-10H,3-8,11-16H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Toledo Curated by ChEMBL					Assay Description Binding affinity towards M1 muscarinic receptor expressed in A9 L cells by diaplacing [3H]-(R)-QNB radioligand.				J Med Chem 44: 4563-76 (2001) BindingDB Entry DOI: 10.7270/Q2765DN7
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50107710 (1,12-di[4-(1-methyl-1,2,3,6-tetrahydro-5-pyridinyl...) Show SMILES CN1CCC=C(C1)c1nsnc1SCCCCCCCCCCCCSc1nsnc1C1=CCCN(C)C1 |c:4,t:34| Show InChI InChI=1S/C28H44N6S4/c1-33-17-13-15-23(21-33)25-27(31-37-29-25)35-19-11-9-7-5-3-4-6-8-10-12-20-36-28-26(30-38-32-28)24-16-14-18-34(2)22-24/h15-16H,3-14,17-22H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Toledo Curated by ChEMBL					Assay Description Binding affinity towards M1 muscarinic receptor expressed in A9 L cells by diaplacing [3H]-(R)-QNB radioligand.				J Med Chem 44: 4563-76 (2001) BindingDB Entry DOI: 10.7270/Q2765DN7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50330860 (CHEMBL1201356 | METHYLERGONOVINE | Methylergometri...) Show SMILES CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34 |r,c:23| Show InChI InChI=1S/C20H25N3O2/c1-3-14(11-24)22-20(25)13-7-16-15-5-4-6-17-19(15)12(9-21-17)8-18(16)23(2)10-13/h4-7,9,13-14,18,21,24H,3,8,10-11H2,1-2H3,(H,22,25)/t13-,14+,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human cloned 5HT2B receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 53: 7573-86 (2010) Article DOI: 10.1021/jm100600y BindingDB Entry DOI: 10.7270/Q2S182RT
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50281817 (CHEMBL1712377) Show SMILES O=C(CCN1CCN(Cc2ccccc2)CC1)Nc1nccs1 Show InChI InChI=1S/C17H22N4OS/c22-16(19-17-18-7-13-23-17)6-8-20-9-11-21(12-10-20)14-15-4-2-1-3-5-15/h1-5,7,13H,6,8-12,14H2,(H,18,19,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California San Francisco Curated by ChEMBL					Assay Description Displacement of [3H]pyrilamine from human HRH1 expressed in HEK cell membranes after 90 mins by scintillation counting method				J Med Chem 61: 6830-6845 (2018) Article DOI: 10.1021/acs.jmedchem.8b00718 BindingDB Entry DOI: 10.7270/Q2BG2RJK
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50107696 (1,9-di[4-(1-methyl-1,2,3,6-tetrahydro-5-pyridinyl)...) Show SMILES CN1CCC=C(C1)c1nsnc1OCCCCCCCCCOc1nsnc1C1=CCCN(C)C1 |c:4,t:31| Show InChI InChI=1S/C25H38N6O2S2/c1-30-14-10-12-20(18-30)22-24(28-34-26-22)32-16-8-6-4-3-5-7-9-17-33-25-23(27-35-29-25)21-13-11-15-31(2)19-21/h12-13H,3-11,14-19H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.840	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Toledo Curated by ChEMBL					Assay Description Binding affinity towards M1 muscarinic receptor expressed in A9 L cells by diaplacing [3H]-(R)-QNB radioligand.				J Med Chem 44: 4563-76 (2001) BindingDB Entry DOI: 10.7270/Q2765DN7
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50107701 (1,6-di[4-(1-methyl-1,2,3,6-tetrahydro-5-pyridinyl)...) Show SMILES CN1CCC=C(C1)c1nsnc1SCCCCCCSc1nsnc1C1=CCCN(C)C1 |c:4,t:28| Show InChI InChI=1S/C22H32N6S4/c1-27-11-7-9-17(15-27)19-21(25-31-23-19)29-13-5-3-4-6-14-30-22-20(24-32-26-22)18-10-8-12-28(2)16-18/h9-10H,3-8,11-16H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Toledo Curated by ChEMBL					Assay Description Binding affinity towards M1 muscarinic receptor expressed in A9 L cells by diaplacing [3H]-(R)-QNB radioligand.				J Med Chem 44: 4563-76 (2001) BindingDB Entry DOI: 10.7270/Q2765DN7
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50107711 (1,4-di[4-(1-methyl-1,2,3,6-tetrahydro-5-pyridinyl)...) Show SMILES CN1CCC=C(C1)c1nsnc1SCCCCSc1nsnc1C1=CCCN(C)C1 |c:4,t:26| Show InChI InChI=1S/C20H28N6S4/c1-25-9-5-7-15(13-25)17-19(23-29-21-17)27-11-3-4-12-28-20-18(22-30-24-20)16-8-6-10-26(2)14-16/h7-8H,3-6,9-14H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.930	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Toledo Curated by ChEMBL					Assay Description Binding affinity towards M1 muscarinic receptor expressed in A9 L cells by diaplacing [3H]-(R)-QNB radioligand.				J Med Chem 44: 4563-76 (2001) BindingDB Entry DOI: 10.7270/Q2765DN7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A&M University Curated by ChEMBL					Assay Description Binding affinity to human 5HT2A receptor				Bioorg Med Chem 24: 3671-9 (2016) Article DOI: 10.1016/j.bmc.2016.06.011 BindingDB Entry DOI: 10.7270/Q2W66NPV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50183266 (Anquil | Benperidol | Benquil | MCN-JR-4584 | R-45...) Show SMILES Oc1nc2ccccc2n1C1CCN(CCCC(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C22H24FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-10,18H,3,6,11-15H2,(H,24,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A&M University Curated by ChEMBL					Assay Description Binding affinity to 5HT2A receptor (unknown origin)				Bioorg Med Chem 24: 3671-9 (2016) Article DOI: 10.1016/j.bmc.2016.06.011 BindingDB Entry DOI: 10.7270/Q2W66NPV
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50107717 (1,3-di[4-(1-methyl-1,2,3,6-tetrahydro-5-pyridinyl)...) Show SMILES CN1CCC=C(C1)c1nsnc1SCCCSc1nsnc1C1=CCCN(C)C1 |c:4,t:25| Show InChI InChI=1S/C19H26N6S4/c1-24-8-3-6-14(12-24)16-18(22-28-20-16)26-10-5-11-27-19-17(21-29-23-19)15-7-4-9-25(2)13-15/h6-7H,3-5,8-13H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Toledo Curated by ChEMBL					Assay Description Binding affinity towards M1 muscarinic receptor expressed in A9 L cells by diaplacing [3H]-(R)-QNB radioligand.				J Med Chem 44: 4563-76 (2001) BindingDB Entry DOI: 10.7270/Q2765DN7
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50527849 (CHEMBL4527244) Show SMILES Cl.CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccn1)CC1CC1c1cccc(Cl)c1Cl Show InChI InChI=1S/C29H33Cl2N3O.ClH/c1-2-17-34(20-23-19-25(23)24-8-7-9-26(30)28(24)31)18-6-5-16-33-29(35)22-13-11-21(12-14-22)27-10-3-4-15-32-27;/h3-4,7-15,23,25H,2,5-6,16-20H2,1H3,(H,33,35);1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from recombinant human D3 receptor (unknown origin) measured after 90 mins by microbeta scintillation counting...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835 BindingDB Entry DOI: 10.7270/Q2F1935W
					More data for this Ligand-Target Pair
D(4) 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	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A&M University Curated by ChEMBL					Assay Description Binding affinity to dopamine D4 receptor (unknown origin)				Bioorg Med Chem 24: 3671-9 (2016) Article DOI: 10.1016/j.bmc.2016.06.011 BindingDB Entry DOI: 10.7270/Q2W66NPV
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50527852 (CHEMBL4443039) Show SMILES Cl.CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccn1)C[C@@H]1C[C@H]1c1cccc(Cl)c1Cl |r| Show InChI InChI=1S/C29H33Cl2N3O.ClH/c1-2-17-34(20-23-19-25(23)24-8-7-9-26(30)28(24)31)18-6-5-16-33-29(35)22-13-11-21(12-14-22)27-10-3-4-15-32-27;/h3-4,7-15,23,25H,2,5-6,16-20H2,1H3,(H,33,35);1H/t23-,25+;/m0./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from recombinant human D3 receptor (unknown origin) measured after 90 mins by microbeta scintillation counting...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835 BindingDB Entry DOI: 10.7270/Q2F1935W
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50183070 (CHEMBL3818478) Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCCCc2c[nH]c3ccccc23)CC1 Show InChI InChI=1S/C25H30N4O/c30-24-25(29(19-27-24)21-9-2-1-3-10-21)13-16-28(17-14-25)15-7-6-8-20-18-26-23-12-5-4-11-22(20)23/h1-5,9-12,18,26H,6-8,13-17,19H2,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A&M University Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human recombinant dopamine D4 receptor incubated for 1.5 hrs by microbeta scintillation counting method				Bioorg Med Chem 24: 3671-9 (2016) Article DOI: 10.1016/j.bmc.2016.06.011 BindingDB Entry DOI: 10.7270/Q2W66NPV
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50107703 (1-[4-(1-methyl-1,2,3,6-tetrahydro-5-pyridinyl)-1,2...) Show SMILES CN1CCC=C(C1)c1nsnc1OCCOCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 |c:4,t:36| Show InChI InChI=1S/C26H40N6O6S2/c1-31-7-3-5-21(19-31)23-25(29-39-27-23)37-17-15-35-13-11-33-9-10-34-12-14-36-16-18-38-26-24(28-40-30-26)22-6-4-8-32(2)20-22/h5-6H,3-4,7-20H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Toledo Curated by ChEMBL					Assay Description Binding affinity towards M1 muscarinic receptor expressed in A9 L cells by diaplacing [3H]-(R)-QNB radioligand.				J Med Chem 44: 4563-76 (2001) BindingDB Entry DOI: 10.7270/Q2765DN7
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50107715 (1,12-di[4-(1-methyl-1,2,3,6-tetrahydro-5-pyridinyl...) Show SMILES CN1CCC=C(C1)c1nsnc1OCCCCCCCCCCCCOc1nsnc1C1=CCCN(C)C1 |c:4,t:34| Show InChI InChI=1S/C28H44N6O2S2/c1-33-17-13-15-23(21-33)25-27(31-37-29-25)35-19-11-9-7-5-3-4-6-8-10-12-20-36-28-26(30-38-32-28)24-16-14-18-34(2)22-24/h15-16H,3-14,17-22H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Toledo Curated by ChEMBL					Assay Description Binding affinity towards M1 muscarinic receptor expressed in A9 L cells by diaplacing [3H]-(R)-QNB radioligand.				J Med Chem 44: 4563-76 (2001) BindingDB Entry DOI: 10.7270/Q2765DN7
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50183070 (CHEMBL3818478) Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCCCc2c[nH]c3ccccc23)CC1 Show InChI InChI=1S/C25H30N4O/c30-24-25(29(19-27-24)21-9-2-1-3-10-21)13-16-28(17-14-25)15-7-6-8-20-18-26-23-12-5-4-11-22(20)23/h1-5,9-12,18,26H,6-8,13-17,19H2,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A&M University Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human recombinant dopamine D4 receptor incubated for 1.5 hrs by microbeta scintillation counting method				Bioorg Med Chem 24: 3671-9 (2016) Article DOI: 10.1016/j.bmc.2016.06.011 BindingDB Entry DOI: 10.7270/Q2W66NPV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50467971 (CHEMBL4290245) Show SMILES NC1=NC2(CCCCC2)NC(Nc2cccc(I)c2)=N1 |c:20,t:1| Show InChI InChI=1S/C14H18IN5/c15-10-5-4-6-11(9-10)17-13-18-12(16)19-14(20-13)7-2-1-3-8-14/h4-6,9H,1-3,7-8H2,(H4,16,17,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Biological Sciences Curated by ChEMBL					Assay Description Displacement of [3H]LSD from 5HT2B (unknown origin) after 1.5 hrs by microbeta scintillation counting method				ACS Med Chem Lett 9: 1019-1024 (2018) Article DOI: 10.1021/acsmedchemlett.8b00300 BindingDB Entry DOI: 10.7270/Q2DZ0C0J
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50107713 (1-[4-(1-methyl-1,2,3,6-tetrahydro-5-pyridinyl)-1,2...) Show SMILES CN1CCC=C(C1)c1nsnc1OCCOCCOCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 |c:4,t:39| Show InChI InChI=1S/C28H44N6O7S2/c1-33-7-3-5-23(21-33)25-27(31-42-29-25)40-19-17-38-15-13-36-11-9-35-10-12-37-14-16-39-18-20-41-28-26(30-43-32-28)24-6-4-8-34(2)22-24/h5-6H,3-4,7-22H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Toledo Curated by ChEMBL					Assay Description Binding affinity towards M1 muscarinic receptor expressed in A9 L cells by diaplacing [3H]-(R)-QNB radioligand.				J Med Chem 44: 4563-76 (2001) BindingDB Entry DOI: 10.7270/Q2765DN7
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50527851 (CHEMBL4590211) Show SMILES Cl.CCCN(CCCCNC(=O)c1ccc2ccccc2c1)CC1CC1c1cccc(Cl)c1Cl Show InChI InChI=1S/C28H32Cl2N2O.ClH/c1-2-15-32(19-23-18-25(23)24-10-7-11-26(29)27(24)30)16-6-5-14-31-28(33)22-13-12-20-8-3-4-9-21(20)17-22;/h3-4,7-13,17,23,25H,2,5-6,14-16,18-19H2,1H3,(H,31,33);1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from recombinant human D3 receptor (unknown origin) measured after 90 mins by microbeta scintillation counting...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835 BindingDB Entry DOI: 10.7270/Q2F1935W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM21395 (3-(2-(4-(4-Fluorobenzoyl)piperidinol)ethyl)-2,4(1H...) Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1 Show InChI InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Biological Sciences Curated by ChEMBL					Assay Description Antagonist activity at 5HT2A receptor				J Med Chem 55: 5749-59 (2012) Article DOI: 10.1021/jm300338m BindingDB Entry DOI: 10.7270/Q2FQ9XQW
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50048866 (1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...) Show SMILES COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12 Show InChI InChI=1S/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
QBI COVID-19 Research Group (QCRG) Curated by ChEMBL					Assay Description Displacement of [3H]-pentazocin from the Sigma1 receptor				Nature 583: 459-468 (2020) Article DOI: 10.1038/s41586-020-2286-9 BindingDB Entry DOI: 10.7270/Q29Z984K
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50251208 (CHEMBL4088272) Show SMILES CCCN1CCC=C(C1)c1cc(no1)-c1ccc(C)cc1 |c:6| Show InChI InChI=1S/C18H22N2O/c1-3-10-20-11-4-5-16(13-20)18-12-17(19-21-18)15-8-6-14(2)7-9-15/h5-9,12H,3-4,10-11,13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
QBI COVID-19 Research Group (QCRG) Curated by ChEMBL					Assay Description Displacement of [3H]-pentazocin from the Sigma1 receptor				Nature 583: 459-468 (2020) Article DOI: 10.1038/s41586-020-2286-9 BindingDB Entry DOI: 10.7270/Q29Z984K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histamine H1 receptor (Homo sapiens (Human))	BDBM21395 (3-(2-(4-(4-Fluorobenzoyl)piperidinol)ethyl)-2,4(1H...) Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1 Show InChI InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Biological Sciences Curated by ChEMBL					Assay Description Antagonist activity at histamine H1 receptor				J Med Chem 55: 5749-59 (2012) Article DOI: 10.1021/jm300338m BindingDB Entry DOI: 10.7270/Q2FQ9XQW
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50527889 (CHEMBL4439544) Show SMILES Cl.CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)C[C@@H]1C[C@H]1c1cccc(Cl)c1Cl |r| Show InChI InChI=1S/C26H31Cl2N3O.ClH/c1-2-13-31(17-19-15-21(19)20-9-7-10-22(27)25(20)28)14-6-5-12-29-26(32)24-16-18-8-3-4-11-23(18)30-24;/h3-4,7-11,16,19,21,30H,2,5-6,12-15,17H2,1H3,(H,29,32);1H/t19-,21+;/m0./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from recombinant human D3 receptor (unknown origin) measured after 90 mins by microbeta scintillation counting...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835 BindingDB Entry DOI: 10.7270/Q2F1935W
					More data for this Ligand-Target Pair
D(4) dopamine receptor (RAT)	BDBM50182747 (CHEMBL3818994) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCc2ccccc2C1 Show InChI InChI=1S/C19H20FNO/c20-18-9-7-16(8-10-18)19(22)6-3-12-21-13-11-15-4-1-2-5-17(15)14-21/h1-2,4-5,7-10H,3,6,11-14H2	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A&M University Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from rat D4 receptor expressed in cell membranes after 1 hr by liquid scintillation counting				Bioorg Med Chem 24: 3464-71 (2016) Article DOI: 10.1016/j.bmc.2016.05.053 BindingDB Entry DOI: 10.7270/Q2X63PVP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50467973 (CHEMBL4287193) Show SMILES CN(C)CC\C=C1/c2ccc(Br)cc2COc2ccccc12 Show InChI InChI=1S/C19H20BrNO/c1-21(2)11-5-7-17-16-10-9-15(20)12-14(16)13-22-19-8-4-3-6-18(17)19/h3-4,6-10,12H,5,11,13H2,1-2H3/b17-7+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Biological Sciences Curated by ChEMBL					Assay Description Displacement of [3H]LSD from 5HT2B (unknown origin) after 1.5 hrs by microbeta scintillation counting method				ACS Med Chem Lett 9: 1019-1024 (2018) Article DOI: 10.1021/acsmedchemlett.8b00300 BindingDB Entry DOI: 10.7270/Q2DZ0C0J
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM50048866 (1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...) Show SMILES COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12 Show InChI InChI=1S/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
QBI COVID-19 Research Group (QCRG) Curated by ChEMBL					Assay Description Displacement of [3H]-DTG from the Sigma2 receptor				Nature 583: 459-468 (2020) Article DOI: 10.1038/s41586-020-2286-9 BindingDB Entry DOI: 10.7270/Q29Z984K
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50527871 (CHEMBL4456007) Show SMILES Cl.CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)CC1CC1c1cccc(Cl)c1Cl Show InChI InChI=1S/C26H31Cl2N3O.ClH/c1-2-13-31(17-19-15-21(19)20-9-7-10-22(27)25(20)28)14-6-5-12-29-26(32)24-16-18-8-3-4-11-23(18)30-24;/h3-4,7-11,16,19,21,30H,2,5-6,12-15,17H2,1H3,(H,29,32);1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from recombinant human D3 receptor (unknown origin) measured after 90 mins by microbeta scintillation counting...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835 BindingDB Entry DOI: 10.7270/Q2F1935W
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM81790 (Amisulpride | CAS_71675-85-9 | NSC_2159 | US101672...) Show SMILES CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC Show InChI InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Case Western Reserve University Curated by PDSP Ki Database									Psychopharmacology (Berl) 205: 119-28 (2009) Article DOI: 10.1007/s00213-009-1521-8 BindingDB Entry DOI: 10.7270/Q2TB15G7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50467978 (CHEMBL4282729) Show SMILES CN(C)CC\C=C1/c2ccc(Cl)cc2COc2ccccc12 Show InChI InChI=1S/C19H20ClNO/c1-21(2)11-5-7-17-16-10-9-15(20)12-14(16)13-22-19-8-4-3-6-18(17)19/h3-4,6-10,12H,5,11,13H2,1-2H3/b17-7+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Biological Sciences Curated by ChEMBL					Assay Description Displacement of [3H]LSD from 5HT2B (unknown origin) after 1.5 hrs by microbeta scintillation counting method				ACS Med Chem Lett 9: 1019-1024 (2018) Article DOI: 10.1021/acsmedchemlett.8b00300 BindingDB Entry DOI: 10.7270/Q2DZ0C0J
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50119380 (CHEMBL25236 | CHEMBL540612 | N-(4-(4-(2-methoxyphe...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1 Show InChI InChI=1S/C26H31N3O2/c1-31-25-11-5-4-10-24(25)29-18-16-28(17-19-29)15-7-6-14-27-26(30)23-13-12-21-8-2-3-9-22(21)20-23/h2-5,8-13,20H,6-7,14-19H2,1H3,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from recombinant human D3 receptor (unknown origin) measured after 90 mins by microbeta scintillation counting...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835 BindingDB Entry DOI: 10.7270/Q2F1935W
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50130293 (7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...) Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A&M University Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human D2 receptor expressed in cell membranes after 1 hr by liquid scintillation counting				Bioorg Med Chem 24: 3464-71 (2016) Article DOI: 10.1016/j.bmc.2016.05.053 BindingDB Entry DOI: 10.7270/Q2X63PVP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50182742 (CHEMBL3818047) Show SMILES Clc1ccc(cc1)C(=O)CCCN1CCc2ccccc2C1 Show InChI InChI=1S/C19H20ClNO/c20-18-9-7-16(8-10-18)19(22)6-3-12-21-13-11-15-4-1-2-5-17(15)14-21/h1-2,4-5,7-10H,3,6,11-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A&M University Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5-HT7 receptor expressed in cell membranes after 1 hr by liquid scintillation counting				Bioorg Med Chem 24: 3464-71 (2016) Article DOI: 10.1016/j.bmc.2016.05.053 BindingDB Entry DOI: 10.7270/Q2X63PVP
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM81790 (Amisulpride | CAS_71675-85-9 | NSC_2159 | US101672...) Show SMILES CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC Show InChI InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Case Western Reserve University Curated by PDSP Ki Database									Psychopharmacology (Berl) 205: 119-28 (2009) Article DOI: 10.1007/s00213-009-1521-8 BindingDB Entry DOI: 10.7270/Q2TB15G7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50182742 (CHEMBL3818047) Show SMILES Clc1ccc(cc1)C(=O)CCCN1CCc2ccccc2C1 Show InChI InChI=1S/C19H20ClNO/c20-18-9-7-16(8-10-18)19(22)6-3-12-21-13-11-15-4-1-2-5-17(15)14-21/h1-2,4-5,7-10H,3,6,11-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A&M University Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5-HT7 receptor expressed in cell membranes after 1 hr by liquid scintillation counting				Bioorg Med Chem 24: 3464-71 (2016) Article DOI: 10.1016/j.bmc.2016.05.053 BindingDB Entry DOI: 10.7270/Q2X63PVP
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50442103 (CHEMBL2441082) Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)N1CCC(F)(F)CC1 Show InChI InChI=1S/C29H44F2N6O2/c1-21(2)36-14-7-22(8-15-36)32-27-23-19-25(38-3)26(39-18-6-13-35-11-4-5-12-35)20-24(23)33-28(34-27)37-16-9-29(30,31)10-17-37/h19-22H,4-18H2,1-3H3,(H,32,33,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Non-competitive inhibition of lysine methyltransferase G9a (unknown origin) using SAM as substrate by Michaelis-Menten kinetic assay				J Med Chem 56: 8931-42 (2013) Article DOI: 10.1021/jm401480r BindingDB Entry DOI: 10.7270/Q2NZ892T
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50527876 (CHEMBL4593394) Show SMILES Cl.CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccn1)C[C@H]1C[C@@H]1c1cc(F)ccc1OC |r| Show InChI InChI=1S/C30H36FN3O2.ClH/c1-3-17-34(21-24-19-26(24)27-20-25(31)13-14-29(27)36-2)18-7-6-16-33-30(35)23-11-9-22(10-12-23)28-8-4-5-15-32-28;/h4-5,8-15,20,24,26H,3,6-7,16-19,21H2,1-2H3,(H,33,35);1H/t24-,26+;/m1./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from recombinant human D3 receptor (unknown origin) measured after 90 mins by microbeta scintillation counting...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835 BindingDB Entry DOI: 10.7270/Q2F1935W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50182748 (CHEMBL3818989) Show SMILES O=C(CCCN1CCc2ccccc2C1)c1ccccc1 Show InChI InChI=1S/C19H21NO/c21-19(17-8-2-1-3-9-17)11-6-13-20-14-12-16-7-4-5-10-18(16)15-20/h1-5,7-10H,6,11-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A&M University Curated by ChEMBL					Assay Description Displacement of [3H]Ketanserin from human 5-HT2A receptor expressed in cell membranes after 1 hr by liquid scintillation counting				Bioorg Med Chem 24: 3464-71 (2016) Article DOI: 10.1016/j.bmc.2016.05.053 BindingDB Entry DOI: 10.7270/Q2X63PVP
					More data for this Ligand-Target Pair

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