Compile Data Set for Download or QSAR

Found 264 hits with Last Name = 'gadiano' and Initial = 'a'   

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(3) dopamine receptor (Homo sapiens (Human))	BDBM50530563 (CHEMBL4519938 | US11337971, Compound (R)-19) Show SMILES CCc1cccc(N2CCN(C[C@H](O)CCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl |r| Show InChI InChI=1S/C25H31ClN4O2/c1-2-18-7-5-9-23(24(18)26)30-14-12-29(13-15-30)17-20(31)10-11-27-25(32)22-16-19-6-3-4-8-21(19)28-22/h3-9,16,20,28,31H,2,10-15,17H2,1H3,(H,27,32)/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...				J Med Chem 62: 9061-9077 (2019) Article DOI: 10.1021/acs.jmedchem.9b00607 BindingDB Entry DOI: 10.7270/Q2TF01S8
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50530563 (CHEMBL4519938 | US11337971, Compound (R)-19) Show SMILES CCc1cccc(N2CCN(C[C@H](O)CCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl |r| Show InChI InChI=1S/C25H31ClN4O2/c1-2-18-7-5-9-23(24(18)26)30-14-12-29(13-15-30)17-20(31)10-11-27-25(32)22-16-19-6-3-4-8-21(19)28-22/h3-9,16,20,28,31H,2,10-15,17H2,1H3,(H,27,32)/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...				J Med Chem 62: 9061-9077 (2019) Article DOI: 10.1021/acs.jmedchem.9b00607 BindingDB Entry DOI: 10.7270/Q2TF01S8
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50530572 (CHEMBL4584497 | US11337971, Compound (R)-C5a) Show SMILES CCc1cccc(N2CCN(C[C@H](F)CCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl |r| Show InChI InChI=1S/C25H30ClFN4O/c1-2-18-7-5-9-23(24(18)26)31-14-12-30(13-15-31)17-20(27)10-11-28-25(32)22-16-19-6-3-4-8-21(19)29-22/h3-9,16,20,29H,2,10-15,17H2,1H3,(H,28,32)/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.373	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...				J Med Chem 62: 9061-9077 (2019) Article DOI: 10.1021/acs.jmedchem.9b00607 BindingDB Entry DOI: 10.7270/Q2TF01S8
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50530572 (CHEMBL4584497 | US11337971, Compound (R)-C5a) Show SMILES CCc1cccc(N2CCN(C[C@H](F)CCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl |r| Show InChI InChI=1S/C25H30ClFN4O/c1-2-18-7-5-9-23(24(18)26)31-14-12-30(13-15-31)17-20(27)10-11-28-25(32)22-16-19-6-3-4-8-21(19)29-22/h3-9,16,20,29H,2,10-15,17H2,1H3,(H,28,32)/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.373	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...				J Med Chem 62: 9061-9077 (2019) Article DOI: 10.1021/acs.jmedchem.9b00607 BindingDB Entry DOI: 10.7270/Q2TF01S8
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50530577 (CHEMBL4451683 | US11337971, Compound (+-)-19) Show SMILES CCc1cccc(N2CCN(CC(O)CCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl Show InChI InChI=1S/C25H31ClN4O2/c1-2-18-7-5-9-23(24(18)26)30-14-12-29(13-15-30)17-20(31)10-11-27-25(32)22-16-19-6-3-4-8-21(19)28-22/h3-9,16,20,28,31H,2,10-15,17H2,1H3,(H,27,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.433	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...				J Med Chem 62: 9061-9077 (2019) Article DOI: 10.1021/acs.jmedchem.9b00607 BindingDB Entry DOI: 10.7270/Q2TF01S8
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50530577 (CHEMBL4451683 | US11337971, Compound (+-)-19) Show SMILES CCc1cccc(N2CCN(CC(O)CCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl Show InChI InChI=1S/C25H31ClN4O2/c1-2-18-7-5-9-23(24(18)26)30-14-12-29(13-15-30)17-20(31)10-11-27-25(32)22-16-19-6-3-4-8-21(19)28-22/h3-9,16,20,28,31H,2,10-15,17H2,1H3,(H,27,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.433	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...				J Med Chem 62: 9061-9077 (2019) Article DOI: 10.1021/acs.jmedchem.9b00607 BindingDB Entry DOI: 10.7270/Q2TF01S8
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50530570 (CHEMBL4515234 | US11337971, Compound C5a) Show SMILES CCc1cccc(N2CCN(CC(F)CCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl Show InChI InChI=1S/C25H30ClFN4O/c1-2-18-7-5-9-23(24(18)26)31-14-12-30(13-15-31)17-20(27)10-11-28-25(32)22-16-19-6-3-4-8-21(19)29-22/h3-9,16,20,29H,2,10-15,17H2,1H3,(H,28,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.756	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...				J Med Chem 62: 9061-9077 (2019) Article DOI: 10.1021/acs.jmedchem.9b00607 BindingDB Entry DOI: 10.7270/Q2TF01S8
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50530570 (CHEMBL4515234 | US11337971, Compound C5a) Show SMILES CCc1cccc(N2CCN(CC(F)CCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl Show InChI InChI=1S/C25H30ClFN4O/c1-2-18-7-5-9-23(24(18)26)31-14-12-30(13-15-31)17-20(27)10-11-28-25(32)22-16-19-6-3-4-8-21(19)29-22/h3-9,16,20,29H,2,10-15,17H2,1H3,(H,28,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.756	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...				J Med Chem 62: 9061-9077 (2019) Article DOI: 10.1021/acs.jmedchem.9b00607 BindingDB Entry DOI: 10.7270/Q2TF01S8
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50530573 (CHEMBL4446609 | US11337971, Compound (S)-C5a) Show SMILES CCc1cccc(N2CCN(C[C@@H](F)CCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl |r| Show InChI InChI=1S/C25H30ClFN4O/c1-2-18-7-5-9-23(24(18)26)31-14-12-30(13-15-31)17-20(27)10-11-28-25(32)22-16-19-6-3-4-8-21(19)29-22/h3-9,16,20,29H,2,10-15,17H2,1H3,(H,28,32)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.840	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...				J Med Chem 62: 9061-9077 (2019) Article DOI: 10.1021/acs.jmedchem.9b00607 BindingDB Entry DOI: 10.7270/Q2TF01S8
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50530573 (CHEMBL4446609 | US11337971, Compound (S)-C5a) Show SMILES CCc1cccc(N2CCN(C[C@@H](F)CCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl |r| Show InChI InChI=1S/C25H30ClFN4O/c1-2-18-7-5-9-23(24(18)26)31-14-12-30(13-15-31)17-20(27)10-11-28-25(32)22-16-19-6-3-4-8-21(19)29-22/h3-9,16,20,29H,2,10-15,17H2,1H3,(H,28,32)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.840	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...				J Med Chem 62: 9061-9077 (2019) Article DOI: 10.1021/acs.jmedchem.9b00607 BindingDB Entry DOI: 10.7270/Q2TF01S8
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50530564 (CHEMBL4483569 | US11337971, Compound (S)-19) Show SMILES CCc1cccc(N2CCN(C[C@@H](O)CCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl |r| Show InChI InChI=1S/C25H31ClN4O2/c1-2-18-7-5-9-23(24(18)26)30-14-12-29(13-15-30)17-20(31)10-11-27-25(32)22-16-19-6-3-4-8-21(19)28-22/h3-9,16,20,28,31H,2,10-15,17H2,1H3,(H,27,32)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.886	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...				J Med Chem 62: 9061-9077 (2019) Article DOI: 10.1021/acs.jmedchem.9b00607 BindingDB Entry DOI: 10.7270/Q2TF01S8
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50530564 (CHEMBL4483569 | US11337971, Compound (S)-19) Show SMILES CCc1cccc(N2CCN(C[C@@H](O)CCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl |r| Show InChI InChI=1S/C25H31ClN4O2/c1-2-18-7-5-9-23(24(18)26)30-14-12-29(13-15-30)17-20(31)10-11-27-25(32)22-16-19-6-3-4-8-21(19)28-22/h3-9,16,20,28,31H,2,10-15,17H2,1H3,(H,27,32)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.886	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...				J Med Chem 62: 9061-9077 (2019) Article DOI: 10.1021/acs.jmedchem.9b00607 BindingDB Entry DOI: 10.7270/Q2TF01S8
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50540117 (CHEMBL4641869) Show SMILES CC(=O)CN1CCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C22H26F2N2OS/c1-17(27)16-26-12-10-25(11-13-26)14-15-28-22(18-2-6-20(23)7-3-18)19-4-8-21(24)9-5-19/h2-9,22H,10-16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from Sigma1 receptor in guinea pig cortex membranes incubated for 120 mins by microbeta scintillation counting m...				J Med Chem 63: 2343-2357 (2020) Article DOI: 10.1021/acs.jmedchem.9b01188 BindingDB Entry DOI: 10.7270/Q2QF8XD6
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50540121 (CHEMBL4649604) Show SMILES O[C@H](CN1CCN(CC[S+]([O-])C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 |r| Show InChI InChI=1S/C28H32F2N2O2S/c29-25-10-6-23(7-11-25)28(24-8-12-26(30)13-9-24)35(34)19-18-31-14-16-32(17-15-31)21-27(33)20-22-4-2-1-3-5-22/h1-13,27-28,33H,14-21H2/t27-,35?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from DAT in Sprague-Dawley rat striatum membranes incubated for 120 mins by microbeta scintillation counting method				J Med Chem 63: 2343-2357 (2020) Article DOI: 10.1021/acs.jmedchem.9b01188 BindingDB Entry DOI: 10.7270/Q2QF8XD6
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50540118 (CHEMBL4642082) Show SMILES OC(CN1CCN(CC[S+]([O-])C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccc(F)cc1 Show InChI InChI=1S/C28H31F3N2O2S/c29-24-7-1-21(2-8-24)19-27(34)20-33-15-13-32(14-16-33)17-18-36(35)28(22-3-9-25(30)10-4-22)23-5-11-26(31)12-6-23/h1-12,27-28,34H,13-20H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from DAT in Sprague-Dawley rat striatum membranes incubated for 120 mins by microbeta scintillation counting method				J Med Chem 63: 2343-2357 (2020) Article DOI: 10.1021/acs.jmedchem.9b01188 BindingDB Entry DOI: 10.7270/Q2QF8XD6
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50540114 (CHEMBL4647914) Show SMILES O[C@H](CN1CCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 |r| Show InChI InChI=1S/C28H32F2N2OS/c29-25-10-6-23(7-11-25)28(24-8-12-26(30)13-9-24)34-19-18-31-14-16-32(17-15-31)21-27(33)20-22-4-2-1-3-5-22/h1-13,27-28,33H,14-21H2/t27-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt 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
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from DAT in Sprague-Dawley rat striatum membranes incubated for 120 mins by microbeta scintillation counting method				J Med Chem 63: 2343-2357 (2020) Article DOI: 10.1021/acs.jmedchem.9b01188 BindingDB Entry DOI: 10.7270/Q2QF8XD6
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50540111 (CHEMBL4635958) Show SMILES OC(CN1CCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccc(F)cc1 Show InChI InChI=1S/C28H31F3N2OS/c29-24-7-1-21(2-8-24)19-27(34)20-33-15-13-32(14-16-33)17-18-35-28(22-3-9-25(30)10-4-22)23-5-11-26(31)12-6-23/h1-12,27-28,34H,13-20H2	Reactome pathway KEGG UniProtKB/SwissProt 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 on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from DAT in Sprague-Dawley rat striatum membranes incubated for 120 mins by microbeta scintillation counting method				J Med Chem 63: 2343-2357 (2020) Article DOI: 10.1021/acs.jmedchem.9b01188 BindingDB Entry DOI: 10.7270/Q2QF8XD6
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50540113 (CHEMBL4635589) Show SMILES COc1ccc(CC(O)CN2CCN(CCSC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 Show InChI InChI=1S/C29H34F2N2O2S/c1-35-28-12-2-22(3-13-28)20-27(34)21-33-16-14-32(15-17-33)18-19-36-29(23-4-8-25(30)9-5-23)24-6-10-26(31)11-7-24/h2-13,27,29,34H,14-21H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from DAT in Sprague-Dawley rat striatum membranes incubated for 120 mins by microbeta scintillation counting method				J Med Chem 63: 2343-2357 (2020) Article DOI: 10.1021/acs.jmedchem.9b01188 BindingDB Entry DOI: 10.7270/Q2QF8XD6
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50540134 (CHEMBL4640772) Show SMILES C[C@H]1CN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1CC(O)Cc1ccccc1 |r| Show InChI InChI=1S/C30H36F2N2OS/c1-22-19-33(20-23(2)34(22)21-29(35)18-24-6-4-3-5-7-24)16-17-36-30(25-8-12-27(31)13-9-25)26-10-14-28(32)15-11-26/h3-15,22-23,29-30,35H,16-21H2,1-2H3/t22-,23+,29?	Reactome pathway KEGG UniProtKB/SwissProt 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
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from DAT in Sprague-Dawley rat striatum membranes incubated for 120 mins by microbeta scintillation counting method				J Med Chem 63: 2343-2357 (2020) Article DOI: 10.1021/acs.jmedchem.9b01188 BindingDB Entry DOI: 10.7270/Q2QF8XD6
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50540133 (CHEMBL4640152) Show SMILES C[C@@H](O)CN1[C@@H](C)CN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@H]1C |r| Show InChI InChI=1S/C24H32F2N2OS/c1-17-14-27(15-18(2)28(17)16-19(3)29)12-13-30-24(20-4-8-22(25)9-5-20)21-6-10-23(26)11-7-21/h4-11,17-19,24,29H,12-16H2,1-3H3/t17-,18+,19-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	MCE 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
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from Sigma1 receptor in guinea pig cortex membranes incubated for 120 mins by microbeta scintillation counting m...				J Med Chem 63: 2343-2357 (2020) Article DOI: 10.1021/acs.jmedchem.9b01188 BindingDB Entry DOI: 10.7270/Q2QF8XD6
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50530565 (CHEMBL4553059 | US11337971, Compound C5b) Show SMILES CCc1cccc(N2CCN(CC(F)CCNC(=O)c3cc4ccccc4o3)CC2)c1Cl Show InChI InChI=1S/C25H29ClFN3O2/c1-2-18-7-5-8-21(24(18)26)30-14-12-29(13-15-30)17-20(27)10-11-28-25(31)23-16-19-6-3-4-9-22(19)32-23/h3-9,16,20H,2,10-15,17H2,1H3,(H,28,31)	PDB UniProtKB/SwissProt 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 on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...				J Med Chem 62: 9061-9077 (2019) Article DOI: 10.1021/acs.jmedchem.9b00607 BindingDB Entry DOI: 10.7270/Q2TF01S8
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50530565 (CHEMBL4553059 | US11337971, Compound C5b) Show SMILES CCc1cccc(N2CCN(CC(F)CCNC(=O)c3cc4ccccc4o3)CC2)c1Cl Show InChI InChI=1S/C25H29ClFN3O2/c1-2-18-7-5-8-21(24(18)26)30-14-12-29(13-15-30)17-20(27)10-11-28-25(31)23-16-19-6-3-4-9-22(19)32-23/h3-9,16,20H,2,10-15,17H2,1H3,(H,28,31)	PDB UniProtKB/SwissProt 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 on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...				J Med Chem 62: 9061-9077 (2019) Article DOI: 10.1021/acs.jmedchem.9b00607 BindingDB Entry DOI: 10.7270/Q2TF01S8
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50540123 (CHEMBL4638977) Show SMILES C[C@H](O)CN1CCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 |r| Show InChI InChI=1S/C22H28F2N2OS/c1-17(27)16-26-12-10-25(11-13-26)14-15-28-22(18-2-6-20(23)7-3-18)19-4-8-21(24)9-5-19/h2-9,17,22,27H,10-16H2,1H3/t17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	MCE 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
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from Sigma1 receptor in guinea pig cortex membranes incubated for 120 mins by microbeta scintillation counting m...				J Med Chem 63: 2343-2357 (2020) Article DOI: 10.1021/acs.jmedchem.9b01188 BindingDB Entry DOI: 10.7270/Q2QF8XD6
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50540124 (CHEMBL4647283) Show SMILES C[C@@H](O)CN1CCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 |r| Show InChI InChI=1S/C22H28F2N2OS/c1-17(27)16-26-12-10-25(11-13-26)14-15-28-22(18-2-6-20(23)7-3-18)19-4-8-21(24)9-5-19/h2-9,17,22,27H,10-16H2,1H3/t17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	MCE 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 on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from Sigma1 receptor in guinea pig cortex membranes incubated for 120 mins by microbeta scintillation counting m...				J Med Chem 63: 2343-2357 (2020) Article DOI: 10.1021/acs.jmedchem.9b01188 BindingDB Entry DOI: 10.7270/Q2QF8XD6
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50530569 (CHEMBL4518618 | US11337971, Compound 113b) Show SMILES CCc1cccc(N2CCN(CC(O)CCNC(=O)c3ccc4OCOc4c3)CC2)c1Cl Show InChI InChI=1S/C24H30ClN3O4/c1-2-17-4-3-5-20(23(17)25)28-12-10-27(11-13-28)15-19(29)8-9-26-24(30)18-6-7-21-22(14-18)32-16-31-21/h3-7,14,19,29H,2,8-13,15-16H2,1H3,(H,26,30)	PDB UniProtKB/SwissProt 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 on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...				J Med Chem 62: 9061-9077 (2019) Article DOI: 10.1021/acs.jmedchem.9b00607 BindingDB Entry DOI: 10.7270/Q2TF01S8
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50540120 (CHEMBL4648300) Show SMILES COc1ccc(CC(O)CN2CCN(CC[S+]([O-])C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 Show InChI InChI=1S/C29H34F2N2O3S/c1-36-28-12-2-22(3-13-28)20-27(34)21-33-16-14-32(15-17-33)18-19-37(35)29(23-4-8-25(30)9-5-23)24-6-10-26(31)11-7-24/h2-13,27,29,34H,14-21H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt 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 on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from DAT in Sprague-Dawley rat striatum membranes incubated for 120 mins by microbeta scintillation counting method				J Med Chem 63: 2343-2357 (2020) Article DOI: 10.1021/acs.jmedchem.9b01188 BindingDB Entry DOI: 10.7270/Q2QF8XD6
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50530569 (CHEMBL4518618 | US11337971, Compound 113b) Show SMILES CCc1cccc(N2CCN(CC(O)CCNC(=O)c3ccc4OCOc4c3)CC2)c1Cl Show InChI InChI=1S/C24H30ClN3O4/c1-2-17-4-3-5-20(23(17)25)28-12-10-27(11-13-28)15-19(29)8-9-26-24(30)18-6-7-21-22(14-18)32-16-31-21/h3-7,14,19,29H,2,8-13,15-16H2,1H3,(H,26,30)	PDB UniProtKB/SwissProt 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 on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...				J Med Chem 62: 9061-9077 (2019) Article DOI: 10.1021/acs.jmedchem.9b00607 BindingDB Entry DOI: 10.7270/Q2TF01S8
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50540122 (CHEMBL4633748) Show SMILES O[C@@H](CN1CCN(CC[S+]([O-])C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 |r| Show InChI InChI=1S/C28H32F2N2O2S/c29-25-10-6-23(7-11-25)28(24-8-12-26(30)13-9-24)35(34)19-18-31-14-16-32(17-15-31)21-27(33)20-22-4-2-1-3-5-22/h1-13,27-28,33H,14-21H2/t27-,35?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from DAT in Sprague-Dawley rat striatum membranes incubated for 120 mins by microbeta scintillation counting method				J Med Chem 63: 2343-2357 (2020) Article DOI: 10.1021/acs.jmedchem.9b01188 BindingDB Entry DOI: 10.7270/Q2QF8XD6
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50540136 (CHEMBL4639814) Show SMILES C[C@H]1CN(CC[S+]([O-])C(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1CC(O)Cc1ccccc1 |r| Show InChI InChI=1S/C30H36F2N2O2S/c1-22-19-33(20-23(2)34(22)21-29(35)18-24-6-4-3-5-7-24)16-17-37(36)30(25-8-12-27(31)13-9-25)26-10-14-28(32)15-11-26/h3-15,22-23,29-30,35H,16-21H2,1-2H3/t22-,23+,29?,37?	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from DAT (unknown origin) transiently expressed in COS7 cells incubated for > 90 mins by beta scintillation counting met...				J Med Chem 63: 2343-2357 (2020) Article DOI: 10.1021/acs.jmedchem.9b01188 BindingDB Entry DOI: 10.7270/Q2QF8XD6
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50540115 (CHEMBL4643955) Show SMILES O[C@@H](CN1CCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 |r| Show InChI InChI=1S/C28H32F2N2OS/c29-25-10-6-23(7-11-25)28(24-8-12-26(30)13-9-24)34-19-18-31-14-16-32(17-15-31)21-27(33)20-22-4-2-1-3-5-22/h1-13,27-28,33H,14-21H2/t27-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from DAT in Sprague-Dawley rat striatum membranes incubated for 120 mins by microbeta scintillation counting method				J Med Chem 63: 2343-2357 (2020) Article DOI: 10.1021/acs.jmedchem.9b01188 BindingDB Entry DOI: 10.7270/Q2QF8XD6
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50530575 (CHEMBL4463620) Show SMILES CCc1cc2OCOc2cc1N1CCN(CC(O)CCNC(=O)c2cc3ccccc3[nH]2)CC1 Show InChI InChI=1S/C26H32N4O4/c1-2-18-14-24-25(34-17-33-24)15-23(18)30-11-9-29(10-12-30)16-20(31)7-8-27-26(32)22-13-19-5-3-4-6-21(19)28-22/h3-6,13-15,20,28,31H,2,7-12,16-17H2,1H3,(H,27,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...				J Med Chem 62: 9061-9077 (2019) Article DOI: 10.1021/acs.jmedchem.9b00607 BindingDB Entry DOI: 10.7270/Q2TF01S8
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50530575 (CHEMBL4463620) Show SMILES CCc1cc2OCOc2cc1N1CCN(CC(O)CCNC(=O)c2cc3ccccc3[nH]2)CC1 Show InChI InChI=1S/C26H32N4O4/c1-2-18-14-24-25(34-17-33-24)15-23(18)30-11-9-29(10-12-30)16-20(31)7-8-27-26(32)22-13-19-5-3-4-6-21(19)28-22/h3-6,13-15,20,28,31H,2,7-12,16-17H2,1H3,(H,27,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...				J Med Chem 62: 9061-9077 (2019) Article DOI: 10.1021/acs.jmedchem.9b00607 BindingDB Entry DOI: 10.7270/Q2TF01S8
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50540131 (CHEMBL4636778) Show SMILES CC(O)CN1[C@@H](C)CN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@H]1C |r| Show InChI InChI=1S/C24H32F2N2OS/c1-17-14-27(15-18(2)28(17)16-19(3)29)12-13-30-24(20-4-8-22(25)9-5-20)21-6-10-23(26)11-7-21/h4-11,17-19,24,29H,12-16H2,1-3H3/t17-,18+,19?	PDB UniProtKB/SwissProt GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from Sigma1 receptor in guinea pig cortex membranes incubated for 120 mins by microbeta scintillation counting m...				J Med Chem 63: 2343-2357 (2020) Article DOI: 10.1021/acs.jmedchem.9b01188 BindingDB Entry DOI: 10.7270/Q2QF8XD6
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50540132 (CHEMBL4647200) Show SMILES C[C@H](O)CN1[C@@H](C)CN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@H]1C |r| Show InChI InChI=1S/C24H32F2N2OS/c1-17-14-27(15-18(2)28(17)16-19(3)29)12-13-30-24(20-4-8-22(25)9-5-20)21-6-10-23(26)11-7-21/h4-11,17-19,24,29H,12-16H2,1-3H3/t17-,18+,19-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from Sigma1 receptor in guinea pig cortex membranes incubated for 120 mins by microbeta scintillation counting m...				J Med Chem 63: 2343-2357 (2020) Article DOI: 10.1021/acs.jmedchem.9b01188 BindingDB Entry DOI: 10.7270/Q2QF8XD6
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50540136 (CHEMBL4639814) Show SMILES C[C@H]1CN(CC[S+]([O-])C(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1CC(O)Cc1ccccc1 |r| Show InChI InChI=1S/C30H36F2N2O2S/c1-22-19-33(20-23(2)34(22)21-29(35)18-24-6-4-3-5-7-24)16-17-37(36)30(25-8-12-27(31)13-9-25)26-10-14-28(32)15-11-26/h3-15,22-23,29-30,35H,16-21H2,1-2H3/t22-,23+,29?,37?	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from DAT in Sprague-Dawley rat striatum membranes incubated for 120 mins by microbeta scintillation counting method				J Med Chem 63: 2343-2357 (2020) Article DOI: 10.1021/acs.jmedchem.9b01188 BindingDB Entry DOI: 10.7270/Q2QF8XD6
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50530562 (CHEMBL4555827 | US11337971, Compound (R)-29) Show SMILES CCc1cc(Cl)c(OC)c(c1)N1CCN(C[C@H](O)CCNC(=O)c2cc3ccccc3[nH]2)CC1 |r| Show InChI InChI=1S/C26H33ClN4O3/c1-3-18-14-21(27)25(34-2)24(15-18)31-12-10-30(11-13-31)17-20(32)8-9-28-26(33)23-16-19-6-4-5-7-22(19)29-23/h4-7,14-16,20,29,32H,3,8-13,17H2,1-2H3,(H,28,33)/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...				J Med Chem 62: 9061-9077 (2019) Article DOI: 10.1021/acs.jmedchem.9b00607 BindingDB Entry DOI: 10.7270/Q2TF01S8
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50530562 (CHEMBL4555827 | US11337971, Compound (R)-29) Show SMILES CCc1cc(Cl)c(OC)c(c1)N1CCN(C[C@H](O)CCNC(=O)c2cc3ccccc3[nH]2)CC1 |r| Show InChI InChI=1S/C26H33ClN4O3/c1-3-18-14-21(27)25(34-2)24(15-18)31-12-10-30(11-13-31)17-20(32)8-9-28-26(33)23-16-19-6-4-5-7-22(19)29-23/h4-7,14-16,20,29,32H,3,8-13,17H2,1-2H3,(H,28,33)/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...				J Med Chem 62: 9061-9077 (2019) Article DOI: 10.1021/acs.jmedchem.9b00607 BindingDB Entry DOI: 10.7270/Q2TF01S8
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50530576 (CHEMBL4476394 | US11337971, Compound (+-)-29) Show SMILES CCc1cc(Cl)c(OC)c(c1)N1CCN(CC(O)CCNC(=O)c2cc3ccccc3[nH]2)CC1 Show InChI InChI=1S/C26H33ClN4O3/c1-3-18-14-21(27)25(34-2)24(15-18)31-12-10-30(11-13-31)17-20(32)8-9-28-26(33)23-16-19-6-4-5-7-22(19)29-23/h4-7,14-16,20,29,32H,3,8-13,17H2,1-2H3,(H,28,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...				J Med Chem 62: 9061-9077 (2019) Article DOI: 10.1021/acs.jmedchem.9b00607 BindingDB Entry DOI: 10.7270/Q2TF01S8
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50530576 (CHEMBL4476394 | US11337971, Compound (+-)-29) Show SMILES CCc1cc(Cl)c(OC)c(c1)N1CCN(CC(O)CCNC(=O)c2cc3ccccc3[nH]2)CC1 Show InChI InChI=1S/C26H33ClN4O3/c1-3-18-14-21(27)25(34-2)24(15-18)31-12-10-30(11-13-31)17-20(32)8-9-28-26(33)23-16-19-6-4-5-7-22(19)29-23/h4-7,14-16,20,29,32H,3,8-13,17H2,1-2H3,(H,28,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...				J Med Chem 62: 9061-9077 (2019) Article DOI: 10.1021/acs.jmedchem.9b00607 BindingDB Entry DOI: 10.7270/Q2TF01S8
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50540114 (CHEMBL4647914) Show SMILES O[C@H](CN1CCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 |r| Show InChI InChI=1S/C28H32F2N2OS/c29-25-10-6-23(7-11-25)28(24-8-12-26(30)13-9-24)34-19-18-31-14-16-32(17-15-31)21-27(33)20-22-4-2-1-3-5-22/h1-13,27-28,33H,14-21H2/t27-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from Sigma1 receptor in guinea pig cortex membranes incubated for 120 mins by microbeta scintillation counting m...				J Med Chem 63: 2343-2357 (2020) Article DOI: 10.1021/acs.jmedchem.9b01188 BindingDB Entry DOI: 10.7270/Q2QF8XD6
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50540125 (CHEMBL4643859) Show SMILES Fc1ccc(cc1)C(SCCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C29H34F2N2S/c30-27-13-9-25(10-14-27)29(26-11-15-28(31)16-12-26)34-23-5-18-33-21-19-32(20-22-33)17-4-8-24-6-2-1-3-7-24/h1-3,6-7,9-16,29H,4-5,8,17-23H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from DAT in Sprague-Dawley rat striatum membranes incubated for 120 mins by microbeta scintillation counting method				J Med Chem 63: 2343-2357 (2020) Article DOI: 10.1021/acs.jmedchem.9b01188 BindingDB Entry DOI: 10.7270/Q2QF8XD6
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50540113 (CHEMBL4635589) Show SMILES COc1ccc(CC(O)CN2CCN(CCSC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 Show InChI InChI=1S/C29H34F2N2O2S/c1-35-28-12-2-22(3-13-28)20-27(34)21-33-16-14-32(15-17-33)18-19-36-29(23-4-8-25(30)9-5-23)24-6-10-26(31)11-7-24/h2-13,27,29,34H,14-21H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from Sigma1 receptor in guinea pig cortex membranes incubated for 120 mins by microbeta scintillation counting m...				J Med Chem 63: 2343-2357 (2020) Article DOI: 10.1021/acs.jmedchem.9b01188 BindingDB Entry DOI: 10.7270/Q2QF8XD6
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50540136 (CHEMBL4639814) Show SMILES C[C@H]1CN(CC[S+]([O-])C(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1CC(O)Cc1ccccc1 |r| Show InChI InChI=1S/C30H36F2N2O2S/c1-22-19-33(20-23(2)34(22)21-29(35)18-24-6-4-3-5-7-24)16-17-37(36)30(25-8-12-27(31)13-9-25)26-10-14-28(32)15-11-26/h3-15,22-23,29-30,35H,16-21H2,1-2H3/t22-,23+,29?,37?	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Inhibition of human DAT transiently expressed in COS7 cells assessed as reduction in [3H]-DA uptake measured after 5 mins by beta-scintillation count...				J Med Chem 63: 2343-2357 (2020) Article DOI: 10.1021/acs.jmedchem.9b01188 BindingDB Entry DOI: 10.7270/Q2QF8XD6
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50540119 (CHEMBL4645184) Show SMILES OC(CN1CCN(CC[S+]([O-])C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C29H31F5N2O2S/c30-25-9-3-22(4-10-25)28(23-5-11-26(31)12-6-23)39(38)18-17-35-13-15-36(16-14-35)20-27(37)19-21-1-7-24(8-2-21)29(32,33)34/h1-12,27-28,37H,13-20H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from DAT in Sprague-Dawley rat striatum membranes incubated for 120 mins by microbeta scintillation counting method				J Med Chem 63: 2343-2357 (2020) Article DOI: 10.1021/acs.jmedchem.9b01188 BindingDB Entry DOI: 10.7270/Q2QF8XD6
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50530567 (CHEMBL4436317 | US11337971, Compound (R)-C4a) Show SMILES CCc1cc(Cl)c(OC)c(c1)N1CCN(C[C@H](F)CCNC(=O)c2cc3ccccc3[nH]2)CC1 |r| Show InChI InChI=1S/C26H32ClFN4O2/c1-3-18-14-21(27)25(34-2)24(15-18)32-12-10-31(11-13-32)17-20(28)8-9-29-26(33)23-16-19-6-4-5-7-22(19)30-23/h4-7,14-16,20,30H,3,8-13,17H2,1-2H3,(H,29,33)/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...				J Med Chem 62: 9061-9077 (2019) Article DOI: 10.1021/acs.jmedchem.9b00607 BindingDB Entry DOI: 10.7270/Q2TF01S8
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50530567 (CHEMBL4436317 | US11337971, Compound (R)-C4a) Show SMILES CCc1cc(Cl)c(OC)c(c1)N1CCN(C[C@H](F)CCNC(=O)c2cc3ccccc3[nH]2)CC1 |r| Show InChI InChI=1S/C26H32ClFN4O2/c1-3-18-14-21(27)25(34-2)24(15-18)32-12-10-31(11-13-32)17-20(28)8-9-29-26(33)23-16-19-6-4-5-7-22(19)30-23/h4-7,14-16,20,30H,3,8-13,17H2,1-2H3,(H,29,33)/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...				J Med Chem 62: 9061-9077 (2019) Article DOI: 10.1021/acs.jmedchem.9b00607 BindingDB Entry DOI: 10.7270/Q2TF01S8
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM22397 (WIN 35,428 | [3H]WIN 35,428 | methyl (1R,2S,3S,5S)...) Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(F)cc1)N2C |TLB:19:18:6.7:10.9.4| Show InChI InChI=1S/C16H20FNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13+,14+,15-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]WIN 35428 from human DAT transiently expressed in COS7 cells				J Med Chem 63: 2343-2357 (2020) Article DOI: 10.1021/acs.jmedchem.9b01188 BindingDB Entry DOI: 10.7270/Q2QF8XD6
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50540134 (CHEMBL4640772) Show SMILES C[C@H]1CN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1CC(O)Cc1ccccc1 |r| Show InChI InChI=1S/C30H36F2N2OS/c1-22-19-33(20-23(2)34(22)21-29(35)18-24-6-4-3-5-7-24)16-17-36-30(25-8-12-27(31)13-9-25)26-10-14-28(32)15-11-26/h3-15,22-23,29-30,35H,16-21H2,1-2H3/t22-,23+,29?	PDB UniProtKB/SwissProt 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
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from Sigma1 receptor in guinea pig cortex membranes incubated for 120 mins by microbeta scintillation counting m...				J Med Chem 63: 2343-2357 (2020) Article DOI: 10.1021/acs.jmedchem.9b01188 BindingDB Entry DOI: 10.7270/Q2QF8XD6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50530563 (CHEMBL4519938 | US11337971, Compound (R)-19) Show SMILES CCc1cccc(N2CCN(C[C@H](O)CCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl |r| Show InChI InChI=1S/C25H31ClN4O2/c1-2-18-7-5-9-23(24(18)26)30-14-12-29(13-15-30)17-20(31)10-11-27-25(32)22-16-19-6-3-4-8-21(19)28-22/h3-9,16,20,28,31H,2,10-15,17H2,1H3,(H,27,32)/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [125I] DOI from 5HT2A receptor (unknown origin)				J Med Chem 62: 9061-9077 (2019) Article DOI: 10.1021/acs.jmedchem.9b00607 BindingDB Entry DOI: 10.7270/Q2TF01S8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50530563 (CHEMBL4519938 | US11337971, Compound (R)-19) Show SMILES CCc1cccc(N2CCN(C[C@H](O)CCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl |r| Show InChI InChI=1S/C25H31ClN4O2/c1-2-18-7-5-9-23(24(18)26)30-14-12-29(13-15-30)17-20(31)10-11-27-25(32)22-16-19-6-3-4-8-21(19)28-22/h3-9,16,20,28,31H,2,10-15,17H2,1H3,(H,27,32)/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [125I] DOI from 5HT2A receptor (unknown origin)				J Med Chem 62: 9061-9077 (2019) Article DOI: 10.1021/acs.jmedchem.9b00607 BindingDB Entry DOI: 10.7270/Q2TF01S8
					More data for this Ligand-Target Pair

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