Compile Data Set for Download or QSAR

Found 234 hits with Last Name = 'gordon' and Initial = 'jc'   

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))	BDBM50339685 (4-(Thiophen-3-yl)-N-(4-(4-(2-(2-fluoroethoxy)pheny...) Show SMILES FCCOc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1 Show InChI InChI=1S/C27H32FN3O2S/c28-12-19-33-26-6-2-1-5-25(26)31-17-15-30(16-18-31)14-4-3-13-29-27(32)23-9-7-22(8-10-23)24-11-20-34-21-24/h1-2,5-11,20-21H,3-4,12-19H2,(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D2L receptor expressed in HEK...				Bioorg Med Chem Lett 29: 2690-2694 (2019) Article DOI: 10.1016/j.bmcl.2019.07.020 BindingDB Entry DOI: 10.7270/Q2JQ14CS
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50512803 (CHEMBL4567895) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1 Show InChI InChI=1S/C26H31N3O2S/c1-31-25-7-3-2-6-24(25)29-17-15-28(16-18-29)14-5-4-13-27-26(30)22-10-8-21(9-11-22)23-12-19-32-20-23/h2-3,6-12,19-20H,4-5,13-18H2,1H3,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...				Bioorg Med Chem Lett 29: 2690-2694 (2019) Article DOI: 10.1016/j.bmcl.2019.07.020 BindingDB Entry DOI: 10.7270/Q2JQ14CS
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50512799 (CHEMBL4571568) Show SMILES O=C(NCCCCN1CCN(CC1)c1ccccc1C#N)c1ccc(cc1)-c1ccsc1 Show InChI InChI=1S/C26H28N4OS/c27-19-23-5-1-2-6-25(23)30-16-14-29(15-17-30)13-4-3-12-28-26(31)22-9-7-21(8-10-22)24-11-18-32-20-24/h1-2,5-11,18,20H,3-4,12-17H2,(H,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...				Bioorg Med Chem Lett 29: 2690-2694 (2019) Article DOI: 10.1016/j.bmcl.2019.07.020 BindingDB Entry DOI: 10.7270/Q2JQ14CS
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50512801 (CHEMBL4590192) Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1 Show InChI InChI=1S/C26H28F3N3OS/c27-26(28,29)23-4-3-5-24(18-23)32-15-13-31(14-16-32)12-2-1-11-30-25(33)21-8-6-20(7-9-21)22-10-17-34-19-22/h3-10,17-19H,1-2,11-16H2,(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...				Bioorg Med Chem Lett 29: 2690-2694 (2019) Article DOI: 10.1016/j.bmcl.2019.07.020 BindingDB Entry DOI: 10.7270/Q2JQ14CS
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50512789 (CHEMBL4583609) Show SMILES Clc1cc(Cl)cc(c1)N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1 Show InChI InChI=1S/C25H27Cl2N3OS/c26-22-15-23(27)17-24(16-22)30-12-10-29(11-13-30)9-2-1-8-28-25(31)20-5-3-19(4-6-20)21-7-14-32-18-21/h3-7,14-18H,1-2,8-13H2,(H,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...				Bioorg Med Chem Lett 29: 2690-2694 (2019) Article DOI: 10.1016/j.bmcl.2019.07.020 BindingDB Entry DOI: 10.7270/Q2JQ14CS
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50512797 (CHEMBL4579251) Show SMILES Oc1cccc(c1)N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1 Show InChI InChI=1S/C25H29N3O2S/c29-24-5-3-4-23(18-24)28-15-13-27(14-16-28)12-2-1-11-26-25(30)21-8-6-20(7-9-21)22-10-17-31-19-22/h3-10,17-19,29H,1-2,11-16H2,(H,26,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...				Bioorg Med Chem Lett 29: 2690-2694 (2019) Article DOI: 10.1016/j.bmcl.2019.07.020 BindingDB Entry DOI: 10.7270/Q2JQ14CS
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50512787 (CHEMBL4437341) Show SMILES O=C(NCCCCN1CCN(CC1)c1cccc(c1)C#N)c1ccc(cc1)-c1ccsc1 Show InChI InChI=1S/C26H28N4OS/c27-19-21-4-3-5-25(18-21)30-15-13-29(14-16-30)12-2-1-11-28-26(31)23-8-6-22(7-9-23)24-10-17-32-20-24/h3-10,17-18,20H,1-2,11-16H2,(H,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...				Bioorg Med Chem Lett 29: 2690-2694 (2019) Article DOI: 10.1016/j.bmcl.2019.07.020 BindingDB Entry DOI: 10.7270/Q2JQ14CS
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50512794 (CHEMBL4450777) Show SMILES Clc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1 Show InChI InChI=1S/C25H28ClN3OS/c26-23-5-1-2-6-24(23)29-16-14-28(15-17-29)13-4-3-12-27-25(30)21-9-7-20(8-10-21)22-11-18-31-19-22/h1-2,5-11,18-19H,3-4,12-17H2,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...				Bioorg Med Chem Lett 29: 2690-2694 (2019) Article DOI: 10.1016/j.bmcl.2019.07.020 BindingDB Entry DOI: 10.7270/Q2JQ14CS
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50512805 (CHEMBL4587635) Show SMILES Cc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1 Show InChI InChI=1S/C26H31N3OS/c1-21-6-2-3-7-25(21)29-17-15-28(16-18-29)14-5-4-13-27-26(30)23-10-8-22(9-11-23)24-12-19-31-20-24/h2-3,6-12,19-20H,4-5,13-18H2,1H3,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...				Bioorg Med Chem Lett 29: 2690-2694 (2019) Article DOI: 10.1016/j.bmcl.2019.07.020 BindingDB Entry DOI: 10.7270/Q2JQ14CS
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50512802 (CHEMBL4535174) Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc(cc3)-c3ccsc3)CC2)c1Cl Show InChI InChI=1S/C25H27Cl2N3OS/c26-22-4-3-5-23(24(22)27)30-15-13-29(14-16-30)12-2-1-11-28-25(31)20-8-6-19(7-9-20)21-10-17-32-18-21/h3-10,17-18H,1-2,11-16H2,(H,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...				Bioorg Med Chem Lett 29: 2690-2694 (2019) Article DOI: 10.1016/j.bmcl.2019.07.020 BindingDB Entry DOI: 10.7270/Q2JQ14CS
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50512800 (CHEMBL4476605) Show SMILES FC(F)(F)c1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1 Show InChI InChI=1S/C26H28F3N3OS/c27-26(28,29)23-5-1-2-6-24(23)32-16-14-31(15-17-32)13-4-3-12-30-25(33)21-9-7-20(8-10-21)22-11-18-34-19-22/h1-2,5-11,18-19H,3-4,12-17H2,(H,30,33)	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
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...				Bioorg Med Chem Lett 29: 2690-2694 (2019) Article DOI: 10.1016/j.bmcl.2019.07.020 BindingDB Entry DOI: 10.7270/Q2JQ14CS
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM82070 (CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...) Show SMILES CN1CCC[C@H]1c1cccnc1 |r| Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	PDB PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description In vitro Binding affinity towards alpha-3 (PC12) nAChR was determined				Bioorg Med Chem Lett 11: 319-21 (2001) BindingDB Entry DOI: 10.7270/Q2028S36
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-7 (Mus musculus)	BDBM50096713 (1H-Indole-3-carboxylic acid 1-aza-bicyclo[2.2.2]oc...) Show SMILES O=C(OC1CN2CCC1CC2)c1c[nH]c2ccccc12 |THB:2:3:9.10:7.6,(10.78,-2.61,;10.78,-4.18,;12.1,-4.96,;13.37,-6.22,;12.58,-7.47,;14.26,-6.58,;15.87,-7.55,;16.69,-6.38,;15.12,-5.43,;15.11,-4.33,;14.26,-5.17,;9.44,-4.93,;9.44,-6.45,;8.09,-7.22,;6.74,-6.45,;5.4,-7.22,;4.07,-6.45,;4.07,-4.94,;5.4,-4.15,;6.74,-4.9,)| Show InChI InChI=1S/C16H18N2O2/c19-16(13-9-17-14-4-2-1-3-12(13)14)20-15-10-18-7-5-11(15)6-8-18/h1-4,9,11,15,17H,5-8,10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description In vitro Binding affinity towards alpha-7 nAChR was determined				Bioorg Med Chem Lett 11: 319-21 (2001) BindingDB Entry DOI: 10.7270/Q2028S36
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50512795 (CHEMBL4438037) Show SMILES Clc1ccc(N2CCN(CCCCNC(=O)c3ccc(cc3)-c3ccsc3)CC2)c(Cl)c1 Show InChI InChI=1S/C25H27Cl2N3OS/c26-22-7-8-24(23(27)17-22)30-14-12-29(13-15-30)11-2-1-10-28-25(31)20-5-3-19(4-6-20)21-9-16-32-18-21/h3-9,16-18H,1-2,10-15H2,(H,28,31)	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
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...				Bioorg Med Chem Lett 29: 2690-2694 (2019) Article DOI: 10.1016/j.bmcl.2019.07.020 BindingDB Entry DOI: 10.7270/Q2JQ14CS
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Mus musculus)	BDBM50096712 (3-(1H-Indole-3-carbonyloxy)-8,8-dimethyl-8-azonia-...) Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)c1c[nH]c2ccccc12 |TLB:10:8:1:4.5| Show InChI InChI=1S/C18H22N2O2/c1-20(2)12-7-8-13(20)10-14(9-12)22-18(21)16-11-19-17-6-4-3-5-15(16)17/h3-6,11-14H,7-10H2,1-2H3/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description In vitro Binding affinity towards alpha-7 nAChR was determined				Bioorg Med Chem Lett 11: 319-21 (2001) BindingDB Entry DOI: 10.7270/Q2028S36
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Mus musculus)	BDBM50108392 ((3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-I...) Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c[nH]c2ccccc12 |r,THB:9:7:4.3:1| Show InChI InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description In vitro Binding affinity towards alpha-7 nAChR was determined				Bioorg Med Chem Lett 11: 319-21 (2001) BindingDB Entry DOI: 10.7270/Q2028S36
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50512793 (CHEMBL4586531) Show SMILES O=C(NCCCCN1CCN(CC1)c1ccccc1)c1ccc(cc1)-c1ccsc1 Show InChI InChI=1S/C25H29N3OS/c29-25(22-10-8-21(9-11-22)23-12-19-30-20-23)26-13-4-5-14-27-15-17-28(18-16-27)24-6-2-1-3-7-24/h1-3,6-12,19-20H,4-5,13-18H2,(H,26,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...				Bioorg Med Chem Lett 29: 2690-2694 (2019) Article DOI: 10.1016/j.bmcl.2019.07.020 BindingDB Entry DOI: 10.7270/Q2JQ14CS
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50512790 (CHEMBL4446350) Show SMILES Clc1cccc(c1)N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1 Show InChI InChI=1S/C25H28ClN3OS/c26-23-4-3-5-24(18-23)29-15-13-28(14-16-29)12-2-1-11-27-25(30)21-8-6-20(7-9-21)22-10-17-31-19-22/h3-10,17-19H,1-2,11-16H2,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...				Bioorg Med Chem Lett 29: 2690-2694 (2019) Article DOI: 10.1016/j.bmcl.2019.07.020 BindingDB Entry DOI: 10.7270/Q2JQ14CS
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Mus musculus)	BDBM50096711 (CHEMBL320963 | Indole-1-carboxylic acid 1-aza-bicy...) Show SMILES O=C(OC1CN2CCC1CC2)n1ccc2ccccc12 |THB:2:3:9.10:7.6,(7.39,-10.08,;8.5,-8.89,;9.81,-9.66,;11.07,-10.94,;10.28,-12.18,;11.95,-11.29,;13.58,-12.25,;14.4,-11.1,;12.81,-10.15,;12.81,-9.03,;11.95,-9.89,;8.08,-7.22,;9.43,-6.44,;9.43,-4.92,;6.74,-4.9,;5.39,-4.15,;4.07,-4.93,;4.07,-6.44,;5.39,-7.22,;6.74,-6.44,)| Show InChI InChI=1S/C16H18N2O2/c19-16(18-10-7-12-3-1-2-4-14(12)18)20-15-11-17-8-5-13(15)6-9-17/h1-4,7,10,13,15H,5-6,8-9,11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	8.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description In vitro Binding affinity towards alpha-7 nAChR was determined				Bioorg Med Chem Lett 11: 319-21 (2001) BindingDB Entry DOI: 10.7270/Q2028S36
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50512810 (CHEMBL4565997) Show SMILES Oc1ccc(cc1)N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1 Show InChI InChI=1S/C25H29N3O2S/c29-24-9-7-23(8-10-24)28-16-14-27(15-17-28)13-2-1-12-26-25(30)21-5-3-20(4-6-21)22-11-18-31-19-22/h3-11,18-19,29H,1-2,12-17H2,(H,26,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...				Bioorg Med Chem Lett 29: 2690-2694 (2019) Article DOI: 10.1016/j.bmcl.2019.07.020 BindingDB Entry DOI: 10.7270/Q2JQ14CS
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50512808 (CHEMBL4438361) Show SMILES CCCCN1CCN(CC1)c1ccccc1OCCF Show InChI InChI=1S/C16H25FN2O/c1-2-3-9-18-10-12-19(13-11-18)15-6-4-5-7-16(15)20-14-8-17/h4-7H,2-3,8-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D2L receptor expressed in HEK...				Bioorg Med Chem Lett 29: 2690-2694 (2019) Article DOI: 10.1016/j.bmcl.2019.07.020 BindingDB Entry DOI: 10.7270/Q2JQ14CS
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50512804 (CHEMBL4459381) Show SMILES Oc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1 Show InChI InChI=1S/C25H29N3O2S/c29-24-6-2-1-5-23(24)28-16-14-27(15-17-28)13-4-3-12-26-25(30)21-9-7-20(8-10-21)22-11-18-31-19-22/h1-2,5-11,18-19,29H,3-4,12-17H2,(H,26,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...				Bioorg Med Chem Lett 29: 2690-2694 (2019) Article DOI: 10.1016/j.bmcl.2019.07.020 BindingDB Entry DOI: 10.7270/Q2JQ14CS
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50512796 (CHEMBL4570430) Show SMILES COc1cccc(c1)N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1 Show InChI InChI=1S/C26H31N3O2S/c1-31-25-6-4-5-24(19-25)29-16-14-28(15-17-29)13-3-2-12-27-26(30)22-9-7-21(8-10-22)23-11-18-32-20-23/h4-11,18-20H,2-3,12-17H2,1H3,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...				Bioorg Med Chem Lett 29: 2690-2694 (2019) Article DOI: 10.1016/j.bmcl.2019.07.020 BindingDB Entry DOI: 10.7270/Q2JQ14CS
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50512791 (CHEMBL4577206) Show SMILES COc1ccc(cc1)N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1 Show InChI InChI=1S/C26H31N3O2S/c1-31-25-10-8-24(9-11-25)29-17-15-28(16-18-29)14-3-2-13-27-26(30)22-6-4-21(5-7-22)23-12-19-32-20-23/h4-12,19-20H,2-3,13-18H2,1H3,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...				Bioorg Med Chem Lett 29: 2690-2694 (2019) Article DOI: 10.1016/j.bmcl.2019.07.020 BindingDB Entry DOI: 10.7270/Q2JQ14CS
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50512808 (CHEMBL4438361) Show SMILES CCCCN1CCN(CC1)c1ccccc1OCCF Show InChI InChI=1S/C16H25FN2O/c1-2-3-9-18-10-12-19(13-11-18)15-6-4-5-7-16(15)20-14-8-17/h4-7H,2-3,8-14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...				Bioorg Med Chem Lett 29: 2690-2694 (2019) Article DOI: 10.1016/j.bmcl.2019.07.020 BindingDB Entry DOI: 10.7270/Q2JQ14CS
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50512788 (CHEMBL4438630) Show SMILES Cc1cccc(c1)N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1 Show InChI InChI=1S/C26H31N3OS/c1-21-5-4-6-25(19-21)29-16-14-28(15-17-29)13-3-2-12-27-26(30)23-9-7-22(8-10-23)24-11-18-31-20-24/h4-11,18-20H,2-3,12-17H2,1H3,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...				Bioorg Med Chem Lett 29: 2690-2694 (2019) Article DOI: 10.1016/j.bmcl.2019.07.020 BindingDB Entry DOI: 10.7270/Q2JQ14CS
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50339685 (4-(Thiophen-3-yl)-N-(4-(4-(2-(2-fluoroethoxy)pheny...) Show SMILES FCCOc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1 Show InChI InChI=1S/C27H32FN3O2S/c28-12-19-33-26-6-2-1-5-25(26)31-17-15-30(16-18-31)14-4-3-13-29-27(32)23-9-7-22(8-10-23)24-11-20-34-21-24/h1-2,5-11,20-21H,3-4,12-19H2,(H,29,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...				Bioorg Med Chem Lett 29: 2690-2694 (2019) Article DOI: 10.1016/j.bmcl.2019.07.020 BindingDB Entry DOI: 10.7270/Q2JQ14CS
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50512809 (CHEMBL4442321) Show SMILES Clc1ccc(cc1)N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1 Show InChI InChI=1S/C25H28ClN3OS/c26-23-7-9-24(10-8-23)29-16-14-28(15-17-29)13-2-1-12-27-25(30)21-5-3-20(4-6-21)22-11-18-31-19-22/h3-11,18-19H,1-2,12-17H2,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...				Bioorg Med Chem Lett 29: 2690-2694 (2019) Article DOI: 10.1016/j.bmcl.2019.07.020 BindingDB Entry DOI: 10.7270/Q2JQ14CS
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50512798 (CHEMBL4545775) Show SMILES Cc1ccc(cc1)N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1 Show InChI InChI=1S/C26H31N3OS/c1-21-4-10-25(11-5-21)29-17-15-28(16-18-29)14-3-2-13-27-26(30)23-8-6-22(7-9-23)24-12-19-31-20-24/h4-12,19-20H,2-3,13-18H2,1H3,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...				Bioorg Med Chem Lett 29: 2690-2694 (2019) Article DOI: 10.1016/j.bmcl.2019.07.020 BindingDB Entry DOI: 10.7270/Q2JQ14CS
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50512803 (CHEMBL4567895) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1 Show InChI InChI=1S/C26H31N3O2S/c1-31-25-7-3-2-6-24(25)29-17-15-28(16-18-29)14-5-4-13-27-26(30)22-10-8-21(9-11-22)23-12-19-32-20-23/h2-3,6-12,19-20H,4-5,13-18H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D2L receptor expressed in HEK...				Bioorg Med Chem Lett 29: 2690-2694 (2019) Article DOI: 10.1016/j.bmcl.2019.07.020 BindingDB Entry DOI: 10.7270/Q2JQ14CS
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50512802 (CHEMBL4535174) Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc(cc3)-c3ccsc3)CC2)c1Cl Show InChI InChI=1S/C25H27Cl2N3OS/c26-22-4-3-5-23(24(22)27)30-15-13-29(14-16-30)12-2-1-11-28-25(31)20-8-6-19(7-9-20)21-10-17-32-18-21/h3-10,17-18H,1-2,11-16H2,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D2L receptor expressed in HEK...				Bioorg Med Chem Lett 29: 2690-2694 (2019) Article DOI: 10.1016/j.bmcl.2019.07.020 BindingDB Entry DOI: 10.7270/Q2JQ14CS
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50512807 (CHEMBL4521525) Show SMILES FC(F)(F)c1ccc(cc1)N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1 Show InChI InChI=1S/C26H28F3N3OS/c27-26(28,29)23-7-9-24(10-8-23)32-16-14-31(15-17-32)13-2-1-12-30-25(33)21-5-3-20(4-6-21)22-11-18-34-19-22/h3-11,18-19H,1-2,12-17H2,(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...				Bioorg Med Chem Lett 29: 2690-2694 (2019) Article DOI: 10.1016/j.bmcl.2019.07.020 BindingDB Entry DOI: 10.7270/Q2JQ14CS
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50512799 (CHEMBL4571568) Show SMILES O=C(NCCCCN1CCN(CC1)c1ccccc1C#N)c1ccc(cc1)-c1ccsc1 Show InChI InChI=1S/C26H28N4OS/c27-19-23-5-1-2-6-25(23)30-16-14-29(15-17-30)13-4-3-12-28-26(31)22-9-7-21(8-10-22)24-11-18-32-20-24/h1-2,5-11,18,20H,3-4,12-17H2,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D2L receptor expressed in HEK...				Bioorg Med Chem Lett 29: 2690-2694 (2019) Article DOI: 10.1016/j.bmcl.2019.07.020 BindingDB Entry DOI: 10.7270/Q2JQ14CS
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50512801 (CHEMBL4590192) Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1 Show InChI InChI=1S/C26H28F3N3OS/c27-26(28,29)23-4-3-5-24(18-23)32-15-13-31(14-16-32)12-2-1-11-30-25(33)21-8-6-20(7-9-21)22-10-17-34-19-22/h3-10,17-19H,1-2,11-16H2,(H,30,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D2L receptor expressed in HEK...				Bioorg Med Chem Lett 29: 2690-2694 (2019) Article DOI: 10.1016/j.bmcl.2019.07.020 BindingDB Entry DOI: 10.7270/Q2JQ14CS
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50512797 (CHEMBL4579251) Show SMILES Oc1cccc(c1)N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1 Show InChI InChI=1S/C25H29N3O2S/c29-24-5-3-4-23(18-24)28-15-13-27(14-16-28)12-2-1-11-26-25(30)21-8-6-20(7-9-21)22-10-17-31-19-22/h3-10,17-19,29H,1-2,11-16H2,(H,26,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D2L receptor expressed in HEK...				Bioorg Med Chem Lett 29: 2690-2694 (2019) Article DOI: 10.1016/j.bmcl.2019.07.020 BindingDB Entry DOI: 10.7270/Q2JQ14CS
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50512794 (CHEMBL4450777) Show SMILES Clc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1 Show InChI InChI=1S/C25H28ClN3OS/c26-23-5-1-2-6-24(23)29-16-14-28(15-17-29)13-4-3-12-27-25(30)21-9-7-20(8-10-21)22-11-18-31-19-22/h1-2,5-11,18-19H,3-4,12-17H2,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	169	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D2L receptor expressed in HEK...				Bioorg Med Chem Lett 29: 2690-2694 (2019) Article DOI: 10.1016/j.bmcl.2019.07.020 BindingDB Entry DOI: 10.7270/Q2JQ14CS
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50512805 (CHEMBL4587635) Show SMILES Cc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1 Show InChI InChI=1S/C26H31N3OS/c1-21-6-2-3-7-25(21)29-17-15-28(16-18-29)14-5-4-13-27-26(30)23-10-8-22(9-11-23)24-12-19-31-20-24/h2-3,6-12,19-20H,4-5,13-18H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D2L receptor expressed in HEK...				Bioorg Med Chem Lett 29: 2690-2694 (2019) Article DOI: 10.1016/j.bmcl.2019.07.020 BindingDB Entry DOI: 10.7270/Q2JQ14CS
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3 (Homo sapiens (Human))	BDBM82070 (CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...) Show SMILES CN1CCC[C@H]1c1cccnc1 |r| Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description In vitro Binding affinity towards alpha-3 (PC12) nAChR was determined				Bioorg Med Chem Lett 11: 319-21 (2001) BindingDB Entry DOI: 10.7270/Q2028S36
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50512800 (CHEMBL4476605) Show SMILES FC(F)(F)c1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1 Show InChI InChI=1S/C26H28F3N3OS/c27-26(28,29)23-5-1-2-6-24(23)32-16-14-31(15-17-32)13-4-3-12-30-25(33)21-9-7-20(8-10-21)22-11-18-34-19-22/h1-2,5-11,18-19H,3-4,12-17H2,(H,30,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	261	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D2L receptor expressed in HEK...				Bioorg Med Chem Lett 29: 2690-2694 (2019) Article DOI: 10.1016/j.bmcl.2019.07.020 BindingDB Entry DOI: 10.7270/Q2JQ14CS
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Mus musculus)	BDBM82070 (CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...) Show SMILES CN1CCC[C@H]1c1cccnc1 |r| Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	PDB PubMed	480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description In vitro Binding affinity towards alpha-7 nAChR was determined				Bioorg Med Chem Lett 11: 319-21 (2001) BindingDB Entry DOI: 10.7270/Q2028S36
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50512787 (CHEMBL4437341) Show SMILES O=C(NCCCCN1CCN(CC1)c1cccc(c1)C#N)c1ccc(cc1)-c1ccsc1 Show InChI InChI=1S/C26H28N4OS/c27-19-21-4-3-5-25(18-21)30-15-13-29(14-16-30)12-2-1-11-28-26(31)23-8-6-22(7-9-23)24-10-17-32-20-24/h3-10,17-18,20H,1-2,11-16H2,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	743	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D2L receptor expressed in HEK...				Bioorg Med Chem Lett 29: 2690-2694 (2019) Article DOI: 10.1016/j.bmcl.2019.07.020 BindingDB Entry DOI: 10.7270/Q2JQ14CS
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50512795 (CHEMBL4438037) Show SMILES Clc1ccc(N2CCN(CCCCNC(=O)c3ccc(cc3)-c3ccsc3)CC2)c(Cl)c1 Show InChI InChI=1S/C25H27Cl2N3OS/c26-22-7-8-24(23(27)17-22)30-14-12-29(13-15-30)11-2-1-10-28-25(31)20-5-3-19(4-6-20)21-9-16-32-18-21/h3-9,16-18H,1-2,10-15H2,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	757	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D2L receptor expressed in HEK...				Bioorg Med Chem Lett 29: 2690-2694 (2019) Article DOI: 10.1016/j.bmcl.2019.07.020 BindingDB Entry DOI: 10.7270/Q2JQ14CS
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50512787 (CHEMBL4437341) Show SMILES O=C(NCCCCN1CCN(CC1)c1cccc(c1)C#N)c1ccc(cc1)-c1ccsc1 Show InChI InChI=1S/C26H28N4OS/c27-19-21-4-3-5-25(18-21)30-15-13-29(14-16-30)12-2-1-11-28-26(31)23-8-6-22(7-9-23)24-10-17-32-20-24/h3-10,17-18,20H,1-2,11-16H2,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	806	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from dopamine human D4 receptor expressed in HEK2...				Bioorg Med Chem Lett 29: 2690-2694 (2019) Article DOI: 10.1016/j.bmcl.2019.07.020 BindingDB Entry DOI: 10.7270/Q2JQ14CS
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50512796 (CHEMBL4570430) Show SMILES COc1cccc(c1)N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1 Show InChI InChI=1S/C26H31N3O2S/c1-31-25-6-4-5-24(19-25)29-16-14-28(15-17-29)13-3-2-12-27-26(30)22-9-7-21(8-10-22)23-11-18-32-20-23/h4-11,18-20H,2-3,12-17H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.83E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D2L receptor expressed in HEK...				Bioorg Med Chem Lett 29: 2690-2694 (2019) Article DOI: 10.1016/j.bmcl.2019.07.020 BindingDB Entry DOI: 10.7270/Q2JQ14CS
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50512789 (CHEMBL4583609) Show SMILES Clc1cc(Cl)cc(c1)N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1 Show InChI InChI=1S/C25H27Cl2N3OS/c26-22-15-23(27)17-24(16-22)30-12-10-29(11-13-30)9-2-1-8-28-25(31)20-5-3-19(4-6-20)21-7-14-32-18-21/h3-7,14-18H,1-2,8-13H2,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.05E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D2L receptor expressed in HEK...				Bioorg Med Chem Lett 29: 2690-2694 (2019) Article DOI: 10.1016/j.bmcl.2019.07.020 BindingDB Entry DOI: 10.7270/Q2JQ14CS
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3 (Homo sapiens (Human))	BDBM50096712 (3-(1H-Indole-3-carbonyloxy)-8,8-dimethyl-8-azonia-...) Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)c1c[nH]c2ccccc12 |TLB:10:8:1:4.5| Show InChI InChI=1S/C18H22N2O2/c1-20(2)12-7-8-13(20)10-14(9-12)22-18(21)16-11-19-17-6-4-3-5-15(16)17/h3-6,11-14H,7-10H2,1-2H3/p+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description In vitro Binding affinity towards alpha-3 (PC12) nAChR was determined				Bioorg Med Chem Lett 11: 319-21 (2001) BindingDB Entry DOI: 10.7270/Q2028S36
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50512806 (CHEMBL4438602) Show SMILES O=C(NCCCCN1CCN(CC1)c1ccc(cc1)C#N)c1ccc(cc1)-c1ccsc1 Show InChI InChI=1S/C26H28N4OS/c27-19-21-3-9-25(10-4-21)30-16-14-29(15-17-30)13-2-1-12-28-26(31)23-7-5-22(6-8-23)24-11-18-32-20-24/h3-11,18,20H,1-2,12-17H2,(H,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.38E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...				Bioorg Med Chem Lett 29: 2690-2694 (2019) Article DOI: 10.1016/j.bmcl.2019.07.020 BindingDB Entry DOI: 10.7270/Q2JQ14CS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50284961 ((S)-2,8-Dimethyl-1-oxa-8-aza-spiro[4.5]decan-3-one...) Show SMILES C[C@@H]1OC2(CC1=O)CCN(C)CC2 Show InChI InChI=1S/C10H17NO2/c1-8-9(12)7-10(13-8)3-5-11(2)6-4-10/h8H,3-7H2,1-2H3/t8-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for its affinity towards Muscarinic acetylcholine receptor M2, using [3H]- N-methyl-scopolamine, a radioligand displacement as...				Bioorg Med Chem Lett 5: 1813-1818 (1995) Article DOI: 10.1016/0960-894X(95)00301-9 BindingDB Entry DOI: 10.7270/Q27M07WJ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50096713 (1H-Indole-3-carboxylic acid 1-aza-bicyclo[2.2.2]oc...) Show SMILES O=C(OC1CN2CCC1CC2)c1c[nH]c2ccccc12 |THB:2:3:9.10:7.6,(10.78,-2.61,;10.78,-4.18,;12.1,-4.96,;13.37,-6.22,;12.58,-7.47,;14.26,-6.58,;15.87,-7.55,;16.69,-6.38,;15.12,-5.43,;15.11,-4.33,;14.26,-5.17,;9.44,-4.93,;9.44,-6.45,;8.09,-7.22,;6.74,-6.45,;5.4,-7.22,;4.07,-6.45,;4.07,-4.94,;5.4,-4.15,;6.74,-4.9,)| Show InChI InChI=1S/C16H18N2O2/c19-16(13-9-17-14-4-2-1-3-12(13)14)20-15-10-18-7-5-11(15)6-8-18/h1-4,9,11,15,17H,5-8,10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description In vitro Binding affinity towards alpha-1-beta-1-gamma-delta nAChR was determined				Bioorg Med Chem Lett 11: 319-21 (2001) BindingDB Entry DOI: 10.7270/Q2028S36
					More data for this Ligand-Target Pair
Acetylcholine receptor subunit alpha/beta/delta/gamma (Homo sapiens (Human))	BDBM50096712 (3-(1H-Indole-3-carbonyloxy)-8,8-dimethyl-8-azonia-...) Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)c1c[nH]c2ccccc12 |TLB:10:8:1:4.5| Show InChI InChI=1S/C18H22N2O2/c1-20(2)12-7-8-13(20)10-14(9-12)22-18(21)16-11-19-17-6-4-3-5-15(16)17/h3-6,11-14H,7-10H2,1-2H3/p+1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description In vitro Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 was determined				Bioorg Med Chem Lett 11: 319-21 (2001) BindingDB Entry DOI: 10.7270/Q2028S36
					More data for this Ligand-Target Pair

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