Compile Data Set for Download or QSAR

Found 30 hits Enz. Inhib. hit(s) with all data for entry = 50044107   

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))	BDBM50322229 (4-(4-Iodophenyl)-1-((4-methoxy-1H-indol-3-yl)methy...) Show SMILES COc1cccc2[nH]cc(CN3CCC(O)(CC3)c3ccc(I)cc3)c12 Show InChI InChI=1S/C21H23IN2O2/c1-26-19-4-2-3-18-20(19)15(13-23-18)14-24-11-9-21(25,10-12-24)16-5-7-17(22)8-6-16/h2-8,13,23,25H,9-12,14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone from human D2L receptor expressed in HEK cell membrane after 90 mins by scintillation counting analysis				J Med Chem 57: 3450-63 (2014) Article DOI: 10.1021/jm500126s BindingDB Entry DOI: 10.7270/Q2MW2JN2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone from human D2L receptor expressed in HEK cell membrane after 90 mins by scintillation counting analysis				J Med Chem 57: 3450-63 (2014) Article DOI: 10.1021/jm500126s BindingDB Entry DOI: 10.7270/Q2MW2JN2
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone from human D3 receptor expressed in HEK293 cell membrane after 90 mins by scintillation counting analysis				J Med Chem 57: 3450-63 (2014) Article DOI: 10.1021/jm500126s BindingDB Entry DOI: 10.7270/Q2MW2JN2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50050467 (1-((1H-indol-3-yl)methyl)-4-(4-chlorophenyl)piperi...) Show SMILES OC1(CCN(Cc2c[nH]c3ccccc23)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClN2O/c21-17-7-5-16(6-8-17)20(24)9-11-23(12-10-20)14-15-13-22-19-4-2-1-3-18(15)19/h1-8,13,22,24H,9-12,14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone from human D2L receptor expressed in HEK cell membrane after 90 mins by scintillation counting analysis				J Med Chem 57: 3450-63 (2014) Article DOI: 10.1021/jm500126s BindingDB Entry DOI: 10.7270/Q2MW2JN2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50003068 (CHEMBL3234537) Show SMILES CCN1c2cc(ccc2[S@@+]([O-])c2ccccc2C1=O)C(=O)NCc1ccc(cc1)C#N |r| Show InChI InChI=1S/C24H19N3O3S/c1-2-27-20-13-18(23(28)26-15-17-9-7-16(14-25)8-10-17)11-12-22(20)31(30)21-6-4-3-5-19(21)24(27)29/h3-13H,2,15H2,1H3,(H,26,28)/t31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone from human D2L receptor expressed in HEK cell membrane after 90 mins by scintillation counting analysis				J Med Chem 57: 3450-63 (2014) Article DOI: 10.1021/jm500126s BindingDB Entry DOI: 10.7270/Q2MW2JN2
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50050467 (1-((1H-indol-3-yl)methyl)-4-(4-chlorophenyl)piperi...) Show SMILES OC1(CCN(Cc2c[nH]c3ccccc23)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClN2O/c21-17-7-5-16(6-8-17)20(24)9-11-23(12-10-20)14-15-13-22-19-4-2-1-3-18(15)19/h1-8,13,22,24H,9-12,14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone from human D3 receptor expressed in HEK293 cell membrane after 90 mins by scintillation counting analysis				J Med Chem 57: 3450-63 (2014) Article DOI: 10.1021/jm500126s BindingDB Entry DOI: 10.7270/Q2MW2JN2
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50322229 (4-(4-Iodophenyl)-1-((4-methoxy-1H-indol-3-yl)methy...) Show SMILES COc1cccc2[nH]cc(CN3CCC(O)(CC3)c3ccc(I)cc3)c12 Show InChI InChI=1S/C21H23IN2O2/c1-26-19-4-2-3-18-20(19)15(13-23-18)14-24-11-9-21(25,10-12-24)16-5-7-17(22)8-6-16/h2-8,13,23,25H,9-12,14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone from human D3 receptor expressed in HEK293 cell membrane after 90 mins by scintillation counting analysis				J Med Chem 57: 3450-63 (2014) Article DOI: 10.1021/jm500126s BindingDB Entry DOI: 10.7270/Q2MW2JN2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50003066 (CHEMBL3234536) Show SMILES CCN1c2cc(ccc2[S@@+]([O-])c2ccccc2C1=O)C(=O)NCc1ccc(F)cc1 |r| Show InChI InChI=1S/C23H19FN2O3S/c1-2-26-19-13-16(22(27)25-14-15-7-10-17(24)11-8-15)9-12-21(19)30(29)20-6-4-3-5-18(20)23(26)28/h3-13H,2,14H2,1H3,(H,25,27)/t30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone from human D2L receptor expressed in HEK cell membrane after 90 mins by scintillation counting analysis				J Med Chem 57: 3450-63 (2014) Article DOI: 10.1021/jm500126s BindingDB Entry DOI: 10.7270/Q2MW2JN2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50003074 (CHEMBL3234544) Show SMILES CN1c2cc(ccc2[S@@+]([O-])c2ccccc2C1=O)C(=O)NCCc1cccs1 |r| Show InChI InChI=1S/C21H18N2O3S2/c1-23-17-13-14(20(24)22-11-10-15-5-4-12-27-15)8-9-19(17)28(26)18-7-3-2-6-16(18)21(23)25/h2-9,12-13H,10-11H2,1H3,(H,22,24)/t28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone from human D2L receptor expressed in HEK cell membrane after 90 mins by scintillation counting analysis				J Med Chem 57: 3450-63 (2014) Article DOI: 10.1021/jm500126s BindingDB Entry DOI: 10.7270/Q2MW2JN2
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50003068 (CHEMBL3234537) Show SMILES CCN1c2cc(ccc2[S@@+]([O-])c2ccccc2C1=O)C(=O)NCc1ccc(cc1)C#N |r| Show InChI InChI=1S/C24H19N3O3S/c1-2-27-20-13-18(23(28)26-15-17-9-7-16(14-25)8-10-17)11-12-22(20)31(30)21-6-4-3-5-19(21)24(27)29/h3-13H,2,15H2,1H3,(H,26,28)/t31-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone from human D3 receptor expressed in HEK293 cell membrane after 90 mins by scintillation counting analysis				J Med Chem 57: 3450-63 (2014) Article DOI: 10.1021/jm500126s BindingDB Entry DOI: 10.7270/Q2MW2JN2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50003063 (CHEMBL3234237) Show SMILES Fc1ccc(CN2CCC(CC2)Nc2ccc(nn2)C(F)(F)F)cc1F Show InChI InChI=1S/C17H17F5N4/c18-13-2-1-11(9-14(13)19)10-26-7-5-12(6-8-26)23-16-4-3-15(24-25-16)17(20,21)22/h1-4,9,12H,5-8,10H2,(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone from human D2L receptor expressed in HEK cell membrane after 90 mins by scintillation counting analysis				J Med Chem 57: 3450-63 (2014) Article DOI: 10.1021/jm500126s BindingDB Entry DOI: 10.7270/Q2MW2JN2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50003065 (CHEMBL3234522) Show SMILES CN1c2cc(ccc2[S+]([O-])c2ccccc2C1=O)C(=O)NCCc1cccs1 Show InChI InChI=1S/C21H18N2O3S2/c1-23-17-13-14(20(24)22-11-10-15-5-4-12-27-15)8-9-19(17)28(26)18-7-3-2-6-16(18)21(23)25/h2-9,12-13H,10-11H2,1H3,(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone from human D2L receptor expressed in HEK cell membrane after 90 mins by scintillation counting analysis				J Med Chem 57: 3450-63 (2014) Article DOI: 10.1021/jm500126s BindingDB Entry DOI: 10.7270/Q2MW2JN2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50003073 (CHEMBL3234543) Show SMILES CN1c2cc(ccc2[S@@+]([O-])c2ccccc2C1=O)C(=O)NCCN1CCCC1 |r| Show InChI InChI=1S/C21H23N3O3S/c1-23-17-14-15(20(25)22-10-13-24-11-4-5-12-24)8-9-19(17)28(27)18-7-3-2-6-16(18)21(23)26/h2-3,6-9,14H,4-5,10-13H2,1H3,(H,22,25)/t28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone from human D2L receptor expressed in HEK cell membrane after 90 mins by scintillation counting analysis				J Med Chem 57: 3450-63 (2014) Article DOI: 10.1021/jm500126s BindingDB Entry DOI: 10.7270/Q2MW2JN2
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50003066 (CHEMBL3234536) Show SMILES CCN1c2cc(ccc2[S@@+]([O-])c2ccccc2C1=O)C(=O)NCc1ccc(F)cc1 |r| Show InChI InChI=1S/C23H19FN2O3S/c1-2-26-19-13-16(22(27)25-14-15-7-10-17(24)11-8-15)9-12-21(19)30(29)20-6-4-3-5-18(20)23(26)28/h3-13H,2,14H2,1H3,(H,25,27)/t30-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone from human D3 receptor expressed in HEK293 cell membrane after 90 mins by scintillation counting analysis				J Med Chem 57: 3450-63 (2014) Article DOI: 10.1021/jm500126s BindingDB Entry DOI: 10.7270/Q2MW2JN2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50003071 (CHEMBL3234541) Show SMILES CN1c2cc(ccc2[S@@+]([O-])c2ccccc2C1=O)C(=O)NCc1ccc(Br)cc1 |r| Show InChI InChI=1S/C22H17BrN2O3S/c1-25-18-12-15(21(26)24-13-14-6-9-16(23)10-7-14)8-11-20(18)29(28)19-5-3-2-4-17(19)22(25)27/h2-12H,13H2,1H3,(H,24,26)/t29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone from human D2L receptor expressed in HEK cell membrane after 90 mins by scintillation counting analysis				J Med Chem 57: 3450-63 (2014) Article DOI: 10.1021/jm500126s BindingDB Entry DOI: 10.7270/Q2MW2JN2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50003070 (CHEMBL3234539) Show SMILES CCN1c2cc(ccc2[S@@+]([O-])c2ccccc2C1=O)C(=O)N[C@H](C)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C28H24N2O3S/c1-3-30-24-17-22(14-15-26(24)34(33)25-11-7-6-10-23(25)28(30)32)27(31)29-18(2)20-13-12-19-8-4-5-9-21(19)16-20/h4-18H,3H2,1-2H3,(H,29,31)/t18-,34+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone from human D2L receptor expressed in HEK cell membrane after 90 mins by scintillation counting analysis				J Med Chem 57: 3450-63 (2014) Article DOI: 10.1021/jm500126s BindingDB Entry DOI: 10.7270/Q2MW2JN2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50003064 (CHEMBL1503220) Show SMILES CCN1c2cc(ccc2[S+]([O-])c2ccccc2C1=O)C(=O)NCc1ccc(OC)cc1 Show InChI InChI=1S/C24H22N2O4S/c1-3-26-20-14-17(23(27)25-15-16-8-11-18(30-2)12-9-16)10-13-22(20)31(29)21-7-5-4-6-19(21)24(26)28/h4-14H,3,15H2,1-2H3,(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone from human D2L receptor expressed in HEK cell membrane after 90 mins by scintillation counting analysis				J Med Chem 57: 3450-63 (2014) Article DOI: 10.1021/jm500126s BindingDB Entry DOI: 10.7270/Q2MW2JN2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50003072 (CHEMBL3234542) Show SMILES CN1c2cc(ccc2[S@@+]([O-])c2ccccc2C1=O)C(=O)NCc1cccnc1 |r| Show InChI InChI=1S/C21H17N3O3S/c1-24-17-11-15(20(25)23-13-14-5-4-10-22-12-14)8-9-19(17)28(27)18-7-3-2-6-16(18)21(24)26/h2-12H,13H2,1H3,(H,23,25)/t28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone from human D2L receptor expressed in HEK cell membrane after 90 mins by scintillation counting analysis				J Med Chem 57: 3450-63 (2014) Article DOI: 10.1021/jm500126s BindingDB Entry DOI: 10.7270/Q2MW2JN2
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50003073 (CHEMBL3234543) Show SMILES CN1c2cc(ccc2[S@@+]([O-])c2ccccc2C1=O)C(=O)NCCN1CCCC1 |r| Show InChI InChI=1S/C21H23N3O3S/c1-23-17-14-15(20(25)22-10-13-24-11-4-5-12-24)8-9-19(17)28(27)18-7-3-2-6-16(18)21(23)26/h2-3,6-9,14H,4-5,10-13H2,1H3,(H,22,25)/t28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone from human D3 receptor expressed in HEK293 cell membrane after 90 mins by scintillation counting analysis				J Med Chem 57: 3450-63 (2014) Article DOI: 10.1021/jm500126s BindingDB Entry DOI: 10.7270/Q2MW2JN2
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50003071 (CHEMBL3234541) Show SMILES CN1c2cc(ccc2[S@@+]([O-])c2ccccc2C1=O)C(=O)NCc1ccc(Br)cc1 |r| Show InChI InChI=1S/C22H17BrN2O3S/c1-25-18-12-15(21(26)24-13-14-6-9-16(23)10-7-14)8-11-20(18)29(28)19-5-3-2-4-17(19)22(25)27/h2-12H,13H2,1H3,(H,24,26)/t29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone from human D3 receptor expressed in HEK293 cell membrane after 90 mins by scintillation counting analysis				J Med Chem 57: 3450-63 (2014) Article DOI: 10.1021/jm500126s BindingDB Entry DOI: 10.7270/Q2MW2JN2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50003069 (CHEMBL3234538) Show SMILES CCN1c2cc(ccc2[S@@+]([O-])c2ccccc2C1=O)C(=O)N[C@H](C)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C24H21BrN2O3S/c1-3-27-20-14-17(23(28)26-15(2)16-8-11-18(25)12-9-16)10-13-22(20)31(30)21-7-5-4-6-19(21)24(27)29/h4-15H,3H2,1-2H3,(H,26,28)/t15-,31+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone from human D2L receptor expressed in HEK cell membrane after 90 mins by scintillation counting analysis				J Med Chem 57: 3450-63 (2014) Article DOI: 10.1021/jm500126s BindingDB Entry DOI: 10.7270/Q2MW2JN2
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50003069 (CHEMBL3234538) Show SMILES CCN1c2cc(ccc2[S@@+]([O-])c2ccccc2C1=O)C(=O)N[C@H](C)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C24H21BrN2O3S/c1-3-27-20-14-17(23(28)26-15(2)16-8-11-18(25)12-9-16)10-13-22(20)31(30)21-7-5-4-6-19(21)24(27)29/h4-15H,3H2,1-2H3,(H,26,28)/t15-,31+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone from human D3 receptor expressed in HEK293 cell membrane after 90 mins by scintillation counting analysis				J Med Chem 57: 3450-63 (2014) Article DOI: 10.1021/jm500126s BindingDB Entry DOI: 10.7270/Q2MW2JN2
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50003063 (CHEMBL3234237) Show SMILES Fc1ccc(CN2CCC(CC2)Nc2ccc(nn2)C(F)(F)F)cc1F Show InChI InChI=1S/C17H17F5N4/c18-13-2-1-11(9-14(13)19)10-26-7-5-12(6-8-26)23-16-4-3-15(24-25-16)17(20,21)22/h1-4,9,12H,5-8,10H2,(H,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	1.16E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone from human D3 receptor expressed in HEK293 cell membrane after 90 mins by scintillation counting analysis				J Med Chem 57: 3450-63 (2014) Article DOI: 10.1021/jm500126s BindingDB Entry DOI: 10.7270/Q2MW2JN2
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50003064 (CHEMBL1503220) Show SMILES CCN1c2cc(ccc2[S+]([O-])c2ccccc2C1=O)C(=O)NCc1ccc(OC)cc1 Show InChI InChI=1S/C24H22N2O4S/c1-3-26-20-14-17(23(27)25-15-16-8-11-18(30-2)12-9-16)10-13-22(20)31(29)21-7-5-4-6-19(21)24(26)28/h4-14H,3,15H2,1-2H3,(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone from human D3 receptor expressed in HEK293 cell membrane after 90 mins by scintillation counting analysis				J Med Chem 57: 3450-63 (2014) Article DOI: 10.1021/jm500126s BindingDB Entry DOI: 10.7270/Q2MW2JN2
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50003070 (CHEMBL3234539) Show SMILES CCN1c2cc(ccc2[S@@+]([O-])c2ccccc2C1=O)C(=O)N[C@H](C)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C28H24N2O3S/c1-3-30-24-17-22(14-15-26(24)34(33)25-11-7-6-10-23(25)28(30)32)27(31)29-18(2)20-13-12-19-8-4-5-9-21(19)16-20/h4-18H,3H2,1-2H3,(H,29,31)/t18-,34+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone from human D3 receptor expressed in HEK293 cell membrane after 90 mins by scintillation counting analysis				J Med Chem 57: 3450-63 (2014) Article DOI: 10.1021/jm500126s BindingDB Entry DOI: 10.7270/Q2MW2JN2
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50003074 (CHEMBL3234544) Show SMILES CN1c2cc(ccc2[S@@+]([O-])c2ccccc2C1=O)C(=O)NCCc1cccs1 |r| Show InChI InChI=1S/C21H18N2O3S2/c1-23-17-13-14(20(24)22-11-10-15-5-4-12-27-15)8-9-19(17)28(26)18-7-3-2-6-16(18)21(23)25/h2-9,12-13H,10-11H2,1H3,(H,22,24)/t28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone from human D3 receptor expressed in HEK293 cell membrane after 90 mins by scintillation counting analysis				J Med Chem 57: 3450-63 (2014) Article DOI: 10.1021/jm500126s BindingDB Entry DOI: 10.7270/Q2MW2JN2
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50003065 (CHEMBL3234522) Show SMILES CN1c2cc(ccc2[S+]([O-])c2ccccc2C1=O)C(=O)NCCc1cccs1 Show InChI InChI=1S/C21H18N2O3S2/c1-23-17-13-14(20(24)22-11-10-15-5-4-12-27-15)8-9-19(17)28(26)18-7-3-2-6-16(18)21(23)25/h2-9,12-13H,10-11H2,1H3,(H,22,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone from human D3 receptor expressed in HEK293 cell membrane after 90 mins by scintillation counting analysis				J Med Chem 57: 3450-63 (2014) Article DOI: 10.1021/jm500126s BindingDB Entry DOI: 10.7270/Q2MW2JN2
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50003072 (CHEMBL3234542) Show SMILES CN1c2cc(ccc2[S@@+]([O-])c2ccccc2C1=O)C(=O)NCc1cccnc1 |r| Show InChI InChI=1S/C21H17N3O3S/c1-24-17-11-15(20(25)23-13-14-5-4-10-22-12-14)8-9-19(17)28(27)18-7-3-2-6-16(18)21(24)26/h2-12H,13H2,1H3,(H,23,25)/t28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone from human D3 receptor expressed in HEK293 cell membrane after 90 mins by scintillation counting analysis				J Med Chem 57: 3450-63 (2014) Article DOI: 10.1021/jm500126s BindingDB Entry DOI: 10.7270/Q2MW2JN2
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50003075 (CHEMBL3234545) Show SMILES CN1c2cc(ccc2[S@+]([O-])c2ccccc2C1=O)C(=O)NCCc1cccs1 |r| Show InChI InChI=1S/C21H18N2O3S2/c1-23-17-13-14(20(24)22-11-10-15-5-4-12-27-15)8-9-19(17)28(26)18-7-3-2-6-16(18)21(23)25/h2-9,12-13H,10-11H2,1H3,(H,22,24)/t28-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone from human D3 receptor expressed in HEK293 cell membrane after 90 mins by scintillation counting analysis				J Med Chem 57: 3450-63 (2014) Article DOI: 10.1021/jm500126s BindingDB Entry DOI: 10.7270/Q2MW2JN2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50003075 (CHEMBL3234545) Show SMILES CN1c2cc(ccc2[S@+]([O-])c2ccccc2C1=O)C(=O)NCCc1cccs1 |r| Show InChI InChI=1S/C21H18N2O3S2/c1-23-17-13-14(20(24)22-11-10-15-5-4-12-27-15)8-9-19(17)28(26)18-7-3-2-6-16(18)21(23)25/h2-9,12-13H,10-11H2,1H3,(H,22,24)/t28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone from human D2L receptor expressed in HEK cell membrane after 90 mins by scintillation counting analysis				J Med Chem 57: 3450-63 (2014) Article DOI: 10.1021/jm500126s BindingDB Entry DOI: 10.7270/Q2MW2JN2
					More data for this Ligand-Target Pair