Compile Data Set for Download or QSAR

Found 23 hits Enz. Inhib. hit(s) with all data for entry = 50006927   

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 (Rattus norvegicus (rat))	BDBM50055721 (3-{4-[2-(4-Pyridin-2-yl-piperazin-1-yl)-ethyl]-cyc...) Show SMILES C(CN1CCN(CC1)c1ccccn1)[C@H]1CC[C@@H](CC1)c1c[nH]c2ccccc12 |wU:17.22,wD:14.15,(13.38,-6.36,;14.69,-7.13,;16.04,-6.36,;17.37,-7.13,;18.7,-6.36,;18.68,-4.79,;17.33,-4.05,;16.01,-4.82,;20.02,-4.02,;21.34,-4.79,;22.68,-4.02,;22.66,-2.48,;21.33,-1.71,;19.99,-2.48,;12.03,-7.1,;10.72,-6.33,;9.37,-7.1,;9.38,-8.64,;10.72,-9.41,;12.03,-8.64,;8.1,-9.47,;8.02,-11.01,;6.54,-11.43,;5.68,-10.15,;4.15,-9.92,;3.59,-8.48,;4.59,-7.29,;6.1,-7.52,;6.64,-8.96,)| Show InChI InChI=1S/C25H32N4/c1-2-6-24-22(5-1)23(19-27-24)21-10-8-20(9-11-21)12-14-28-15-17-29(18-16-28)25-7-3-4-13-26-25/h1-7,13,19-21,27H,8-12,14-18H2/t20-,21-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Division of Warner Lambert Company Curated by ChEMBL					Assay Description Binding affinity was determined in vitro on rat striatum using [3H]-N-propylnorapomorphine against Dopamine receptor D2				J Med Chem 40: 250-9 (1997) Article DOI: 10.1021/jm960597m BindingDB Entry DOI: 10.7270/Q28W3CD4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50055719 (3-{4-[2-(4-Pyridin-2-yl-piperazin-1-yl)-ethyl]-cyc...) Show SMILES Oc1ccc2[nH]cc([C@H]3CC[C@H](CCN4CCN(CC4)c4ccccn4)CC3)c2c1 |wU:8.7,wD:11.11,(4.67,-5.8,;5.06,-7.28,;4.09,-8.5,;4.64,-9.95,;6.19,-10.17,;7.02,-11.46,;8.53,-11.07,;8.6,-9.5,;9.88,-8.66,;9.88,-7.12,;11.2,-6.35,;12.55,-7.12,;13.87,-6.38,;15.22,-7.12,;16.54,-6.38,;17.89,-7.12,;19.21,-6.38,;19.21,-4.8,;17.86,-4.06,;16.54,-4.83,;20.53,-4.03,;21.88,-4.8,;23.2,-4.03,;23.2,-2.49,;21.85,-1.72,;20.53,-2.49,;12.52,-8.66,;11.2,-9.43,;7.15,-8.98,;6.57,-7.54,)| Show InChI InChI=1S/C25H32N4O/c30-21-8-9-24-22(17-21)23(18-27-24)20-6-4-19(5-7-20)10-12-28-13-15-29(16-14-28)25-3-1-2-11-26-25/h1-3,8-9,11,17-20,27,30H,4-7,10,12-16H2/t19-,20-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Division of Warner Lambert Company Curated by ChEMBL					Assay Description In vitro binding affinity for dopamine receptor D2 on rat striatal membranes by [3H]-spiperone displacement.				J Med Chem 40: 250-9 (1997) Article DOI: 10.1021/jm960597m BindingDB Entry DOI: 10.7270/Q28W3CD4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50055725 (3-{4-[2-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-eth...) Show SMILES C(CN1CCC(=CC1)c1ccccc1)[C@H]1CC[C@@H](CC1)c1c[nH]c2ccccc12 |wU:17.22,wD:14.15,c:5,(13.38,-6.35,;14.7,-7.12,;16.04,-6.35,;17.37,-7.12,;18.7,-6.35,;18.68,-4.79,;17.33,-4.04,;16.02,-4.81,;20.02,-4.02,;21.34,-4.79,;22.68,-4.01,;22.66,-2.47,;21.33,-1.71,;20,-2.48,;12.04,-7.1,;10.71,-6.33,;9.38,-7.1,;9.38,-8.63,;10.71,-9.4,;12.03,-8.64,;8.09,-9.47,;8.03,-11.04,;6.54,-11.43,;5.69,-10.15,;4.15,-9.91,;3.6,-8.47,;4.59,-7.28,;6.1,-7.51,;6.65,-8.95,)| Show InChI InChI=1S/C27H32N2/c1-2-6-22(7-3-1)23-15-18-29(19-16-23)17-14-21-10-12-24(13-11-21)26-20-28-27-9-5-4-8-25(26)27/h1-9,15,20-21,24,28H,10-14,16-19H2/t21-,24-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Division of Warner Lambert Company Curated by ChEMBL					Assay Description In vitro binding affinity for dopamine receptor D2 on rat striatal membranes by [3H]-spiperone displacement.				J Med Chem 40: 250-9 (1997) Article DOI: 10.1021/jm960597m BindingDB Entry DOI: 10.7270/Q28W3CD4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50002173 (3-(4-(3,6-dihydro-4-phenyl-1(2H)-pyridinyl)butyl)-...) Show SMILES Oc1ccc2[nH]cc(CCCCN3CCC(=CC3)c3ccccc3)c2c1 |c:15| Show InChI InChI=1S/C23H26N2O/c26-21-9-10-23-22(16-21)20(17-24-23)8-4-5-13-25-14-11-19(12-15-25)18-6-2-1-3-7-18/h1-3,6-7,9-11,16-17,24,26H,4-5,8,12-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Division of Warner Lambert Company Curated by ChEMBL					Assay Description In vitro binding affinity for dopamine receptor D2 on rat striatal membranes by [3H]-spiperone displacement.				J Med Chem 40: 250-9 (1997) Article DOI: 10.1021/jm960597m BindingDB Entry DOI: 10.7270/Q28W3CD4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50055731 (3-{4-[2-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-eth...) Show SMILES C(CN1CCC(=CC1)c1ccccc1)[C@H]1CC[C@H](CC1)c1c[nH]c2ccccc12 |wU:17.22,14.15,c:5,(13.37,-6.33,;14.69,-7.1,;16.03,-6.36,;17.35,-7.1,;18.69,-6.33,;18.67,-4.79,;17.32,-4.02,;16.01,-4.82,;20,-4.02,;21.33,-4.79,;22.66,-4.02,;22.64,-2.48,;21.32,-1.71,;19.98,-2.48,;12.03,-7.1,;12.02,-8.63,;10.71,-9.37,;9.37,-8.6,;9.37,-7.1,;10.71,-6.33,;8.09,-9.47,;8.02,-11.01,;6.54,-11.42,;5.68,-10.14,;4.15,-9.92,;3.6,-8.47,;4.58,-7.26,;6.09,-7.51,;6.65,-8.92,)| Show InChI InChI=1S/C27H32N2/c1-2-6-22(7-3-1)23-15-18-29(19-16-23)17-14-21-10-12-24(13-11-21)26-20-28-27-9-5-4-8-25(26)27/h1-9,15,20-21,24,28H,10-14,16-19H2/t21-,24+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Division of Warner Lambert Company Curated by ChEMBL					Assay Description In vitro binding affinity for dopamine receptor D2 on rat striatal membranes by [3H]-spiperone displacement.				J Med Chem 40: 250-9 (1997) Article DOI: 10.1021/jm960597m BindingDB Entry DOI: 10.7270/Q28W3CD4
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50055721 (3-{4-[2-(4-Pyridin-2-yl-piperazin-1-yl)-ethyl]-cyc...) Show SMILES C(CN1CCN(CC1)c1ccccn1)[C@H]1CC[C@@H](CC1)c1c[nH]c2ccccc12 |wU:17.22,wD:14.15,(13.38,-6.36,;14.69,-7.13,;16.04,-6.36,;17.37,-7.13,;18.7,-6.36,;18.68,-4.79,;17.33,-4.05,;16.01,-4.82,;20.02,-4.02,;21.34,-4.79,;22.68,-4.02,;22.66,-2.48,;21.33,-1.71,;19.99,-2.48,;12.03,-7.1,;10.72,-6.33,;9.37,-7.1,;9.38,-8.64,;10.72,-9.41,;12.03,-8.64,;8.1,-9.47,;8.02,-11.01,;6.54,-11.43,;5.68,-10.15,;4.15,-9.92,;3.59,-8.48,;4.59,-7.29,;6.1,-7.52,;6.64,-8.96,)| Show InChI InChI=1S/C25H32N4/c1-2-6-24-22(5-1)23(19-27-24)21-10-8-20(9-11-21)12-14-28-15-17-29(18-16-28)25-7-3-4-13-26-25/h1-7,13,19-21,27H,8-12,14-18H2/t20-,21-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Division of Warner Lambert Company Curated by ChEMBL					Assay Description In vitro binding affinity of the compound towards human recombinant Dopamine receptor D3 receptor expressed in CHO-K1 cells was determined using [3H]...				J Med Chem 40: 250-9 (1997) Article DOI: 10.1021/jm960597m BindingDB Entry DOI: 10.7270/Q28W3CD4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50055727 (5-Methoxy-3-{4-[2-(4-pyridin-2-yl-piperazin-1-yl)-...) Show SMILES COc1ccc2[nH]cc([C@H]3CC[C@H](CCN4CCN(CC4)c4ccccn4)CC3)c2c1 |wU:9.8,wD:12.12,(3.12,-5.36,;4.62,-5.77,;5.04,-7.25,;4.04,-8.43,;4.59,-9.9,;6.13,-10.13,;6.99,-11.41,;8.46,-10.99,;8.53,-9.46,;9.81,-8.59,;9.81,-7.09,;11.15,-6.32,;12.47,-7.09,;13.81,-6.32,;15.12,-7.09,;16.47,-6.35,;17.78,-7.09,;19.12,-6.32,;19.09,-4.78,;17.75,-4.01,;16.44,-4.81,;20.44,-4.01,;21.75,-4.78,;23.09,-4.01,;23.06,-2.48,;21.75,-1.71,;20.41,-2.48,;12.47,-8.62,;11.15,-9.36,;7.09,-8.91,;6.54,-7.47,)| Show InChI InChI=1S/C26H34N4O/c1-31-22-9-10-25-23(18-22)24(19-28-25)21-7-5-20(6-8-21)11-13-29-14-16-30(17-15-29)26-4-2-3-12-27-26/h2-4,9-10,12,18-21,28H,5-8,11,13-17H2,1H3/t20-,21-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Division of Warner Lambert Company Curated by ChEMBL					Assay Description In vitro binding affinity for dopamine receptor D2 on rat striatal membranes by [3H]-spiperone displacement.				J Med Chem 40: 250-9 (1997) Article DOI: 10.1021/jm960597m BindingDB Entry DOI: 10.7270/Q28W3CD4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50055721 (3-{4-[2-(4-Pyridin-2-yl-piperazin-1-yl)-ethyl]-cyc...) Show SMILES C(CN1CCN(CC1)c1ccccn1)[C@H]1CC[C@@H](CC1)c1c[nH]c2ccccc12 |wU:17.22,wD:14.15,(13.38,-6.36,;14.69,-7.13,;16.04,-6.36,;17.37,-7.13,;18.7,-6.36,;18.68,-4.79,;17.33,-4.05,;16.01,-4.82,;20.02,-4.02,;21.34,-4.79,;22.68,-4.02,;22.66,-2.48,;21.33,-1.71,;19.99,-2.48,;12.03,-7.1,;10.72,-6.33,;9.37,-7.1,;9.38,-8.64,;10.72,-9.41,;12.03,-8.64,;8.1,-9.47,;8.02,-11.01,;6.54,-11.43,;5.68,-10.15,;4.15,-9.92,;3.59,-8.48,;4.59,-7.29,;6.1,-7.52,;6.64,-8.96,)| Show InChI InChI=1S/C25H32N4/c1-2-6-24-22(5-1)23(19-27-24)21-10-8-20(9-11-21)12-14-28-15-17-29(18-16-28)25-7-3-4-13-26-25/h1-7,13,19-21,27H,8-12,14-18H2/t20-,21-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Division of Warner Lambert Company Curated by ChEMBL					Assay Description In vitro binding affinity for dopamine receptor D2 on rat striatal membranes by [3H]-spiperone displacement.				J Med Chem 40: 250-9 (1997) Article DOI: 10.1021/jm960597m BindingDB Entry DOI: 10.7270/Q28W3CD4
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50055721 (3-{4-[2-(4-Pyridin-2-yl-piperazin-1-yl)-ethyl]-cyc...) Show SMILES C(CN1CCN(CC1)c1ccccn1)[C@H]1CC[C@@H](CC1)c1c[nH]c2ccccc12 |wU:17.22,wD:14.15,(13.38,-6.36,;14.69,-7.13,;16.04,-6.36,;17.37,-7.13,;18.7,-6.36,;18.68,-4.79,;17.33,-4.05,;16.01,-4.82,;20.02,-4.02,;21.34,-4.79,;22.68,-4.02,;22.66,-2.48,;21.33,-1.71,;19.99,-2.48,;12.03,-7.1,;10.72,-6.33,;9.37,-7.1,;9.38,-8.64,;10.72,-9.41,;12.03,-8.64,;8.1,-9.47,;8.02,-11.01,;6.54,-11.43,;5.68,-10.15,;4.15,-9.92,;3.59,-8.48,;4.59,-7.29,;6.1,-7.52,;6.64,-8.96,)| Show InChI InChI=1S/C25H32N4/c1-2-6-24-22(5-1)23(19-27-24)21-10-8-20(9-11-21)12-14-28-15-17-29(18-16-28)25-7-3-4-13-26-25/h1-7,13,19-21,27H,8-12,14-18H2/t20-,21-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Division of Warner Lambert Company Curated by ChEMBL					Assay Description In vitro binding affinity of the compound towards human recombinant Dopamine receptor D4 expressed in CHO-K1 cells was determined using [3H]-spiperon...				J Med Chem 40: 250-9 (1997) Article DOI: 10.1021/jm960597m BindingDB Entry DOI: 10.7270/Q28W3CD4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50055728 (1-Methyl-3-{4-[2-(4-pyridin-2-yl-piperazin-1-yl)-e...) Show SMILES Cn1cc([C@H]2CC[C@H](CCN3CCN(CC3)c3ccccn3)CC2)c2ccccc12 |wU:4.3,wD:7.7,(6,-13.07,;6.54,-11.62,;8.02,-11.23,;8.1,-9.67,;9.38,-8.82,;9.37,-7.29,;10.72,-6.52,;12.03,-7.29,;13.38,-6.54,;14.69,-7.29,;16.04,-6.56,;17.37,-7.29,;18.7,-6.54,;18.68,-4.98,;17.34,-4.23,;16.01,-5.02,;20.02,-4.21,;21.35,-4.98,;22.68,-4.21,;22.66,-2.67,;21.34,-1.9,;19.99,-2.67,;12.03,-8.83,;10.72,-9.59,;6.64,-9.14,;6.1,-7.71,;4.59,-7.45,;3.59,-8.67,;4.15,-10.12,;5.68,-10.34,)| Show InChI InChI=1S/C26H34N4/c1-28-20-24(23-6-2-3-7-25(23)28)22-11-9-21(10-12-22)13-15-29-16-18-30(19-17-29)26-8-4-5-14-27-26/h2-8,14,20-22H,9-13,15-19H2,1H3/t21-,22-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	83	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Division of Warner Lambert Company Curated by ChEMBL					Assay Description In vitro binding affinity for dopamine receptor D2 on rat striatal membranes by [3H]-spiperone displacement.				J Med Chem 40: 250-9 (1997) Article DOI: 10.1021/jm960597m BindingDB Entry DOI: 10.7270/Q28W3CD4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50055723 (3-[4-(4-Pyridin-2-yl-piperazin-1-ylmethyl)-cyclohe...) Show SMILES C([C@H]1CC[C@@H](CC1)c1c[nH]c2ccccc12)N1CCN(CC1)c1ccccn1 |wU:4.7,wD:1.0,(14,-4.05,;12.67,-4.82,;11.34,-4.05,;10.01,-4.82,;10.02,-6.35,;11.34,-7.12,;12.65,-6.36,;8.74,-7.2,;8.66,-8.74,;7.16,-9.15,;6.32,-7.87,;4.79,-7.64,;4.23,-6.19,;5.21,-4.98,;6.72,-5.23,;7.28,-6.65,;15.33,-4.82,;16.65,-4.02,;18,-4.79,;18.01,-6.33,;16.69,-7.12,;15.35,-6.36,;19.36,-7.09,;19.38,-8.63,;20.7,-9.38,;22.04,-8.6,;22.02,-7.06,;20.67,-6.3,)| Show InChI InChI=1S/C24H30N4/c1-2-6-23-21(5-1)22(17-26-23)20-10-8-19(9-11-20)18-27-13-15-28(16-14-27)24-7-3-4-12-25-24/h1-7,12,17,19-20,26H,8-11,13-16,18H2/t19-,20-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Division of Warner Lambert Company Curated by ChEMBL					Assay Description In vitro binding affinity for dopamine receptor D2 on rat striatal membranes by [3H]-spiperone displacement.				J Med Chem 40: 250-9 (1997) Article DOI: 10.1021/jm960597m BindingDB Entry DOI: 10.7270/Q28W3CD4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50055734 (5-Fluoro-3-{4-[2-(4-pyridin-2-yl-piperazin-1-yl)-e...) Show SMILES Fc1ccc2[nH]cc([C@H]3CC[C@H](CCN4CCN(CC4)c4ccccn4)CC3)c2c1 |wU:8.7,wD:11.11,(4.18,-5.77,;4.59,-7.28,;3.6,-8.47,;4.15,-9.91,;5.69,-10.15,;6.54,-11.43,;8.03,-11.04,;8.1,-9.48,;9.38,-8.63,;9.38,-7.1,;10.72,-6.33,;12.04,-7.1,;13.38,-6.35,;14.7,-7.12,;16.04,-6.35,;17.37,-7.12,;18.7,-6.35,;18.68,-4.79,;17.34,-4.04,;16.02,-4.81,;20.02,-4.02,;21.35,-4.79,;22.68,-4.01,;22.66,-2.47,;21.33,-1.71,;20,-2.48,;12.03,-8.64,;10.72,-9.4,;6.65,-8.95,;6.1,-7.51,)| Show InChI InChI=1S/C25H31FN4/c26-21-8-9-24-22(17-21)23(18-28-24)20-6-4-19(5-7-20)10-12-29-13-15-30(16-14-29)25-3-1-2-11-27-25/h1-3,8-9,11,17-20,28H,4-7,10,12-16H2/t19-,20-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Division of Warner Lambert Company Curated by ChEMBL					Assay Description In vitro binding affinity for dopamine receptor D2 on rat striatal membranes by [3H]-spiperone displacement.				J Med Chem 40: 250-9 (1997) Article DOI: 10.1021/jm960597m BindingDB Entry DOI: 10.7270/Q28W3CD4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50055720 (3-[4-(4-Pyridin-2-yl-piperazin-1-ylmethyl)-cyclohe...) Show SMILES C([C@H]1CC[C@H](CC1)c1c[nH]c2ccccc12)N1CCN(CC1)c1ccccn1 |wU:4.7,1.0,(14.02,-4.05,;12.67,-4.79,;12.67,-6.33,;11.36,-7.1,;10.02,-6.33,;10.01,-4.79,;11.36,-4.02,;8.74,-7.17,;8.66,-8.74,;7.19,-9.12,;6.32,-7.84,;4.79,-7.61,;4.23,-6.17,;5.23,-4.98,;6.74,-5.21,;7.28,-6.65,;15.34,-4.82,;16.65,-4.02,;18,-4.76,;18.03,-6.3,;16.69,-7.1,;15.37,-6.36,;19.38,-7.07,;19.38,-8.61,;20.73,-9.35,;22.04,-8.58,;22.02,-7.04,;20.69,-6.27,)| Show InChI InChI=1S/C24H30N4/c1-2-6-23-21(5-1)22(17-26-23)20-10-8-19(9-11-20)18-27-13-15-28(16-14-27)24-7-3-4-12-25-24/h1-7,12,17,19-20,26H,8-11,13-16,18H2/t19-,20+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	122	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Division of Warner Lambert Company Curated by ChEMBL					Assay Description In vitro binding affinity for dopamine receptor D2 on rat striatal membranes by [3H]-spiperone displacement.				J Med Chem 40: 250-9 (1997) Article DOI: 10.1021/jm960597m BindingDB Entry DOI: 10.7270/Q28W3CD4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50055729 (3-{4-[2-(4-Phenyl-piperazin-1-yl)-ethyl]-cyclohexy...) Show SMILES C(CN1CCN(CC1)c1ccccc1)[C@H]1CC[C@@H](CC1)c1c[nH]c2ccccc12 |wU:17.22,wD:14.15,(13.36,-6.33,;14.7,-7.1,;16.02,-6.36,;16.02,-4.82,;17.33,-4.02,;18.68,-4.79,;18.68,-6.33,;17.37,-7.1,;20,-4.02,;21.34,-4.79,;22.66,-4.02,;22.66,-2.48,;21.31,-1.71,;20,-2.48,;12.04,-7.1,;10.69,-6.33,;9.38,-7.1,;9.38,-8.61,;10.69,-9.38,;12.01,-8.64,;8.09,-9.47,;8.03,-11.01,;6.52,-11.43,;5.69,-10.15,;4.15,-9.92,;3.6,-8.48,;4.57,-7.26,;6.07,-7.52,;6.65,-8.93,)| Show InChI InChI=1S/C26H33N3/c1-2-6-23(7-3-1)29-18-16-28(17-19-29)15-14-21-10-12-22(13-11-21)25-20-27-26-9-5-4-8-24(25)26/h1-9,20-22,27H,10-19H2/t21-,22-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	124	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Division of Warner Lambert Company Curated by ChEMBL					Assay Description In vitro binding affinity for dopamine receptor D2 on rat striatal membranes by [3H]-spiperone displacement.				J Med Chem 40: 250-9 (1997) Article DOI: 10.1021/jm960597m BindingDB Entry DOI: 10.7270/Q28W3CD4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50055733 (3-{4-[2-(4-Pyridin-2-yl-piperazin-1-yl)-ethyl]-cyc...) Show SMILES C(CN1CCN(CC1)c1ccccn1)[C@H]1CC[C@H](CC1)c1c[nH]c2ccccc12 |wU:17.22,14.15,(13.4,-6.36,;14.73,-7.13,;16.07,-6.36,;17.4,-7.13,;18.74,-6.36,;18.72,-4.8,;17.37,-4.05,;16.05,-4.82,;20.05,-4.03,;21.38,-4.8,;22.72,-4.02,;22.7,-2.47,;21.37,-1.71,;20.03,-2.49,;12.06,-7.11,;12.05,-8.65,;10.73,-9.42,;9.4,-8.65,;9.4,-7.1,;10.73,-6.34,;8.11,-9.49,;8.05,-11.06,;6.56,-11.45,;5.7,-10.17,;4.16,-9.93,;3.61,-8.48,;4.6,-7.3,;6.11,-7.52,;6.66,-8.97,)| Show InChI InChI=1S/C25H32N4/c1-2-6-24-22(5-1)23(19-27-24)21-10-8-20(9-11-21)12-14-28-15-17-29(18-16-28)25-7-3-4-13-26-25/h1-7,13,19-21,27H,8-12,14-18H2/t20-,21+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	139	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Division of Warner Lambert Company Curated by ChEMBL					Assay Description In vitro binding affinity for dopamine receptor D2 on rat striatal membranes by [3H]-spiperone displacement.				J Med Chem 40: 250-9 (1997) Article DOI: 10.1021/jm960597m BindingDB Entry DOI: 10.7270/Q28W3CD4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50055722 (3-{4-[2-(4-Pyrimidin-2-yl-piperazin-1-yl)-ethyl]-c...) Show SMILES C(CN1CCN(CC1)c1ncccn1)[C@H]1CC[C@@H](CC1)c1c[nH]c2ccccc12 |wU:17.22,wD:14.15,(13.38,-6.36,;14.7,-7.13,;16.04,-6.36,;16.02,-4.82,;17.34,-4.05,;18.68,-4.79,;18.7,-6.36,;17.37,-7.13,;20.02,-4.02,;20,-2.48,;21.34,-1.71,;22.66,-2.48,;22.68,-4.02,;21.35,-4.79,;12.04,-7.1,;10.72,-6.33,;9.38,-7.1,;9.38,-8.64,;10.72,-9.41,;12.03,-8.64,;8.1,-9.48,;8.03,-11.05,;6.54,-11.43,;5.69,-10.15,;4.15,-9.92,;3.6,-8.48,;4.59,-7.29,;6.1,-7.52,;6.65,-8.96,)| Show InChI InChI=1S/C24H31N5/c1-2-5-23-21(4-1)22(18-27-23)20-8-6-19(7-9-20)10-13-28-14-16-29(17-15-28)24-25-11-3-12-26-24/h1-5,11-12,18-20,27H,6-10,13-17H2/t19-,20-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	161	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Division of Warner Lambert Company Curated by ChEMBL					Assay Description In vitro binding affinity for dopamine receptor D2 on rat striatal membranes by [3H]-spiperone displacement.				J Med Chem 40: 250-9 (1997) Article DOI: 10.1021/jm960597m BindingDB Entry DOI: 10.7270/Q28W3CD4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50055735 (3-{4-[2-(4-Pyridin-2-yl-piperazin-1-yl)-ethyl]-cyc...) Show SMILES C(CN1CCN(CC1)c1ccccn1)C1CCC(=CC1)c1c[nH]c2ccccc12 |c:19| Show InChI InChI=1S/C25H30N4/c1-2-6-24-22(5-1)23(19-27-24)21-10-8-20(9-11-21)12-14-28-15-17-29(18-16-28)25-7-3-4-13-26-25/h1-7,10,13,19-20,27H,8-9,11-12,14-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Division of Warner Lambert Company Curated by ChEMBL					Assay Description In vitro binding affinity for dopamine receptor D2 on rat striatal membranes by [3H]-spiperone displacement.				J Med Chem 40: 250-9 (1997) Article DOI: 10.1021/jm960597m BindingDB Entry DOI: 10.7270/Q28W3CD4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50055724 (1-[2-((S)-4-Phenyl-cyclohex-3-enyl)-ethyl]-4-pyrid...) Show SMILES C(CN1CCN(CC1)c1ccccn1)[C@H]1CCC(=CC1)c1ccccc1 |c:19| Show InChI InChI=1S/C23H29N3/c1-2-6-21(7-3-1)22-11-9-20(10-12-22)13-15-25-16-18-26(19-17-25)23-8-4-5-14-24-23/h1-8,11,14,20H,9-10,12-13,15-19H2/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	412	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Division of Warner Lambert Company Curated by ChEMBL					Assay Description In vitro binding affinity for dopamine receptor D2 on rat striatal membranes by [3H]-spiperone displacement.				J Med Chem 40: 250-9 (1997) Article DOI: 10.1021/jm960597m BindingDB Entry DOI: 10.7270/Q28W3CD4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50055726 (3-[4-(4-Pyridin-2-yl-piperazin-1-yl)-cyclohexyl]-1...) Show SMILES C1C[C@@H](CC[C@H]1N1CCN(CC1)c1ccccn1)c1c[nH]c2ccccc12 |wU:2.20,wD:5.6,(11.37,-2.55,;10.02,-3.32,;10.05,-4.84,;11.37,-5.61,;12.68,-4.86,;12.68,-3.32,;14.03,-2.57,;14.03,-1.03,;15.38,-.24,;16.69,-1.04,;16.69,-2.58,;15.35,-3.34,;18.04,-.29,;19.36,-1.06,;20.7,-.32,;20.74,1.22,;19.39,2.01,;18.04,1.25,;8.77,-5.69,;8.67,-7.25,;7.2,-7.65,;6.33,-6.36,;4.82,-6.13,;4.25,-4.68,;5.24,-3.5,;6.75,-3.72,;7.29,-5.17,)| Show InChI InChI=1S/C23H28N4/c1-2-6-22-20(5-1)21(17-25-22)18-8-10-19(11-9-18)26-13-15-27(16-14-26)23-7-3-4-12-24-23/h1-7,12,17-19,25H,8-11,13-16H2/t18-,19-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	457	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Division of Warner Lambert Company Curated by ChEMBL					Assay Description In vitro binding affinity for dopamine receptor D2 on rat striatal membranes by [3H]-spiperone displacement.				J Med Chem 40: 250-9 (1997) Article DOI: 10.1021/jm960597m BindingDB Entry DOI: 10.7270/Q28W3CD4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50055730 (3-{4-[2-(4-Thiophen-2-yl-3,6-dihydro-2H-pyridin-1-...) Show SMILES C(CN1CCC(=CC1)c1cccs1)[C@H]1CC[C@@H](CC1)c1c[nH]c2ccccc12 |wU:16.21,wD:13.14,c:5,(13.49,-6.14,;14.8,-6.91,;16.15,-6.14,;17.5,-6.91,;18.81,-6.14,;18.81,-4.57,;17.46,-3.83,;16.12,-4.6,;20.13,-3.8,;21.54,-4.44,;22.57,-3.28,;21.76,-1.94,;20.26,-2.29,;12.14,-6.88,;10.82,-6.11,;9.48,-6.88,;9.51,-8.42,;10.82,-9.19,;12.14,-8.42,;8.22,-9.25,;8.13,-10.82,;6.65,-11.21,;5.79,-9.92,;4.28,-9.7,;3.7,-8.26,;4.69,-7.07,;6.2,-7.29,;6.75,-8.74,)| Show InChI InChI=1S/C25H30N2S/c1-2-5-24-22(4-1)23(18-26-24)20-9-7-19(8-10-20)11-14-27-15-12-21(13-16-27)25-6-3-17-28-25/h1-6,12,17-20,26H,7-11,13-16H2/t19-,20-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Division of Warner Lambert Company Curated by ChEMBL					Assay Description In vitro binding affinity for dopamine receptor D2 on rat striatal membranes by [3H]-spiperone displacement.				J Med Chem 40: 250-9 (1997) Article DOI: 10.1021/jm960597m BindingDB Entry DOI: 10.7270/Q28W3CD4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50055732 (3-(4-{2-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-ethyl...) Show SMILES Fc1ccc(cc1)N1CCN(CC[C@H]2CC[C@@H](CC2)c2c[nH]c3ccccc23)CC1 |wU:16.20,wD:13.13,(23.33,-1.74,;21.98,-2.53,;22.01,-4.07,;20.67,-4.84,;19.35,-4.07,;19.32,-2.53,;20.67,-1.76,;18,-4.84,;16.66,-4.08,;15.34,-4.88,;15.37,-6.41,;14.03,-7.16,;12.71,-6.39,;11.36,-7.15,;10.05,-6.38,;8.7,-7.15,;8.7,-8.67,;10.05,-9.44,;11.36,-8.69,;7.42,-9.53,;7.36,-11.08,;5.88,-11.48,;5.01,-10.2,;3.47,-9.97,;2.93,-8.53,;3.92,-7.32,;5.43,-7.57,;5.98,-8.99,;16.69,-7.16,;18.04,-6.39,)| Show InChI InChI=1S/C26H32FN3/c27-22-9-11-23(12-10-22)30-17-15-29(16-18-30)14-13-20-5-7-21(8-6-20)25-19-28-26-4-2-1-3-24(25)26/h1-4,9-12,19-21,28H,5-8,13-18H2/t20-,21-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	645	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Division of Warner Lambert Company Curated by ChEMBL					Assay Description In vitro binding affinity for dopamine receptor D2 on rat striatal membranes by [3H]-spiperone displacement.				J Med Chem 40: 250-9 (1997) Article DOI: 10.1021/jm960597m BindingDB Entry DOI: 10.7270/Q28W3CD4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50055718 (3-[4-(4-Pyridin-2-yl-piperazin-1-yl)-cyclohexyl]-1...) Show SMILES C1C[C@H](CC[C@H]1N1CCN(CC1)c1ccccn1)c1c[nH]c2ccccc12 |wU:5.6,2.20,(12.78,-1.81,;11.46,-2.55,;10.14,-1.78,;10.12,-.27,;11.46,.5,;12.78,-.27,;14.13,.5,;14.13,2.04,;15.47,2.81,;16.79,2.01,;16.79,.47,;15.44,-.27,;18.14,2.78,;19.45,2.01,;20.8,2.75,;20.82,4.29,;19.48,5.06,;18.14,4.32,;8.85,-2.64,;8.77,-4.18,;7.29,-4.57,;6.43,-3.32,;4.91,-3.06,;4.34,-1.61,;5.34,-.43,;6.84,-.65,;7.39,-2.1,)| Show InChI InChI=1S/C23H28N4/c1-2-6-22-20(5-1)21(17-25-22)18-8-10-19(11-9-18)26-13-15-27(16-14-26)23-7-3-4-12-24-23/h1-7,12,17-19,25H,8-11,13-16H2/t18-,19+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Division of Warner Lambert Company Curated by ChEMBL					Assay Description In vitro binding affinity for dopamine receptor D2 on rat striatal membranes by [3H]-spiperone displacement.				J Med Chem 40: 250-9 (1997) Article DOI: 10.1021/jm960597m BindingDB Entry DOI: 10.7270/Q28W3CD4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50055721 (3-{4-[2-(4-Pyridin-2-yl-piperazin-1-yl)-ethyl]-cyc...) Show SMILES C(CN1CCN(CC1)c1ccccn1)[C@H]1CC[C@@H](CC1)c1c[nH]c2ccccc12 |wU:17.22,wD:14.15,(13.38,-6.36,;14.69,-7.13,;16.04,-6.36,;17.37,-7.13,;18.7,-6.36,;18.68,-4.79,;17.33,-4.05,;16.01,-4.82,;20.02,-4.02,;21.34,-4.79,;22.68,-4.02,;22.66,-2.48,;21.33,-1.71,;19.99,-2.48,;12.03,-7.1,;10.72,-6.33,;9.37,-7.1,;9.38,-8.64,;10.72,-9.41,;12.03,-8.64,;8.1,-9.47,;8.02,-11.01,;6.54,-11.43,;5.68,-10.15,;4.15,-9.92,;3.59,-8.48,;4.59,-7.29,;6.1,-7.52,;6.64,-8.96,)| Show InChI InChI=1S/C25H32N4/c1-2-6-24-22(5-1)23(19-27-24)21-10-8-20(9-11-21)12-14-28-15-17-29(18-16-28)25-7-3-4-13-26-25/h1-7,13,19-21,27H,8-12,14-18H2/t20-,21-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.80	n/a	n/a	n/a	n/a
Division of Warner Lambert Company Curated by ChEMBL					Assay Description Inhibition of [3H]-thymidine uptake by Dopamine receptor D2				J Med Chem 40: 250-9 (1997) Article DOI: 10.1021/jm960597m BindingDB Entry DOI: 10.7270/Q28W3CD4
					More data for this Ligand-Target Pair