Compile Data Set for Download or QSAR

Found 138 hits with Last Name = 'feenstra' and Initial = 'r'   

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
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50316949 ((3R)-3-((3-((2-oxo-1,2,3,4-tetrahydroquinolin-7-yl...) Show SMILES O=C1Cc2c(N1)ccc1O[C@H](CN3C4CCC3CC(Cc3ccc5CCC(=O)Nc5c3)C4)COc21 |r| Show InChI InChI=1S/C28H31N3O4/c32-26-8-3-18-2-1-16(12-24(18)30-26)9-17-10-19-4-5-20(11-17)31(19)14-21-15-34-28-22-13-27(33)29-23(22)6-7-25(28)35-21/h1-2,6-7,12,17,19-21H,3-5,8-11,13-15H2,(H,29,33)(H,30,32)/t17?,19?,20?,21-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]citalopram form human SRET by liquid scintillation counting				Bioorg Med Chem Lett 20: 2983-6 (2010) Article DOI: 10.1016/j.bmcl.2010.02.105 BindingDB Entry DOI: 10.7270/Q2VH5P0Q
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50302220 (7-((1-((6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-...) Show SMILES Fc1ccc2[nH]c3CCC(CN4CCC(COc5cccc6[nH]c(=O)oc56)CC4)Cc3c2c1 Show InChI InChI=1S/C26H28FN3O3/c27-18-5-7-22-20(13-18)19-12-17(4-6-21(19)28-22)14-30-10-8-16(9-11-30)15-32-24-3-1-2-23-25(24)33-26(31)29-23/h1-3,5,7,13,16-17,28H,4,6,8-12,14-15H2,(H,29,31)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from human serotonin transporter expressed in HEK293 cells by scintillation proximity assay				Bioorg Med Chem Lett 19: 5552-5 (2009) Article DOI: 10.1016/j.bmcl.2009.08.050 BindingDB Entry DOI: 10.7270/Q2Z89DCC
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50103826 (7-[4-(6-Hydroxy-biphenyl-3-ylmethyl)-piperazin-1-y...) Show SMILES Oc1ccc(CN2CCN(CC2)c2cccc3[nH]c(=O)oc23)cc1-c1ccccc1 Show InChI InChI=1S/C24H23N3O3/c28-22-10-9-17(15-19(22)18-5-2-1-3-6-18)16-26-11-13-27(14-12-26)21-8-4-7-20-23(21)30-24(29)25-20/h1-10,15,28H,11-14,16H2,(H,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for dopamine receptor D2 determined using [3H]-spiperone				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50020174 (1-Benzofuran-7-yl-4-[5-(4-fluoro-phenyl)-1H-pyrrol...) Show SMILES Fc1ccc(cc1)-c1ccc(CN2CCN(CC2)c2cccc3ccoc23)[nH]1 Show InChI InChI=1S/C23H22FN3O/c24-19-6-4-17(5-7-19)21-9-8-20(25-21)16-26-11-13-27(14-12-26)22-3-1-2-18-10-15-28-23(18)22/h1-10,15,25H,11-14,16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents	PubMed	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for dopamine receptor D2 determined using [3H]-spiperone				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50103839 (7-{4-[4-(4-Fluoro-phenyl)-pyridin-2-ylmethyl]-pipe...) Show SMILES Fc1ccc(cc1)-c1ccnc(CN2CCN(CC2)c2cccc3[nH]c(=O)oc23)c1 Show InChI InChI=1S/C23H21FN4O2/c24-18-6-4-16(5-7-18)17-8-9-25-19(14-17)15-27-10-12-28(13-11-27)21-3-1-2-20-22(21)30-23(29)26-20/h1-9,14H,10-13,15H2,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for dopamine receptor D2 determined using [3H]-spiperone				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50103840 (1-Biphenyl-3-ylmethyl-4-(2,3-dihydro-benzo[1,4]dio...) Show SMILES C(N1CCN(CC1)c1cccc2OCCOc12)c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C25H26N2O2/c1-2-7-21(8-3-1)22-9-4-6-20(18-22)19-26-12-14-27(15-13-26)23-10-5-11-24-25(23)29-17-16-28-24/h1-11,18H,12-17,19H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 1A receptor determined using [3H]-8-OH-DPAT as radioligand				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50103830 (8-(4-Biphenyl-3-ylmethyl-piperazin-1-yl)-3,4-dihyd...) Show SMILES C(N1CCN(CC1)c1cccc2NCCOc12)c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C25H27N3O/c1-2-7-21(8-3-1)22-9-4-6-20(18-22)19-27-13-15-28(16-14-27)24-11-5-10-23-25(24)29-17-12-26-23/h1-11,18,26H,12-17,19H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.930	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for dopamine receptor D2 determined using [3H]-spiperone				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50019960 (4-Fluoro-N-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl...) Show SMILES COc1ccccc1N1CCN(CCNC(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C20H24FN3O2/c1-26-19-5-3-2-4-18(19)24-14-12-23(13-15-24)11-10-22-20(25)16-6-8-17(21)9-7-16/h2-9H,10-15H2,1H3,(H,22,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 1A receptor determined using [3H]-8-OH-DPAT as radioligand				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50302225 ((1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl...) Show SMILES CN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 |r| Show InChI InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]citalopram form human SRET by liquid scintillation counting				Bioorg Med Chem Lett 20: 2983-6 (2010) Article DOI: 10.1016/j.bmcl.2010.02.105 BindingDB Entry DOI: 10.7270/Q2VH5P0Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50302225 ((1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl...) Show SMILES CN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 |r| Show InChI InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from human serotonin transporter expressed in HEK293 cells by scintillation proximity assay				Bioorg Med Chem Lett 19: 5552-5 (2009) Article DOI: 10.1016/j.bmcl.2009.08.050 BindingDB Entry DOI: 10.7270/Q2Z89DCC
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50103841 (8-(4-Biphenyl-3-ylmethyl-piperazin-1-yl)-4H-benzo[...) Show SMILES O=C1COc2c(N1)cccc2N1CCN(Cc2cccc(c2)-c2ccccc2)CC1 Show InChI InChI=1S/C25H25N3O2/c29-24-18-30-25-22(26-24)10-5-11-23(25)28-14-12-27(13-15-28)17-19-6-4-9-21(16-19)20-7-2-1-3-8-20/h1-11,16H,12-15,17-18H2,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for dopamine receptor D2 determined using [3H]-spiperone				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50103835 (7-[4-(3-Thiophen-3-yl-benzyl)-piperazin-1-yl]-3H-b...) Show SMILES O=c1[nH]c2cccc(N3CCN(Cc4cccc(c4)-c4ccsc4)CC3)c2o1 Show InChI InChI=1S/C22H21N3O2S/c26-22-23-19-5-2-6-20(21(19)27-22)25-10-8-24(9-11-25)14-16-3-1-4-17(13-16)18-7-12-28-15-18/h1-7,12-13,15H,8-11,14H2,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for dopamine receptor D2 determined using [3H]-spiperone				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					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 PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for dopamine receptor D2 determined using [3H]-spiperone				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50316948 ((R)-7-[8-(2-Oxo-1,2,3,4-tetrahydro-quinolin-7-ylme...) Show SMILES O=C1Cc2c(N1)ccc1O[C@H](CN3CC4CCC(C3)C4Cc3ccc4CCC(=O)Nc4c3)COc21 |r| Show InChI InChI=1S/C28H31N3O4/c32-26-8-5-17-2-1-16(10-24(17)30-26)9-21-18-3-4-19(21)13-31(12-18)14-20-15-34-28-22-11-27(33)29-23(22)6-7-25(28)35-20/h1-2,6-7,10,18-21H,3-5,8-9,11-15H2,(H,29,33)(H,30,32)/t18?,19?,20-,21?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]citalopram form human SRET by liquid scintillation counting				Bioorg Med Chem Lett 20: 2983-6 (2010) Article DOI: 10.1016/j.bmcl.2010.02.105 BindingDB Entry DOI: 10.7270/Q2VH5P0Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50020174 (1-Benzofuran-7-yl-4-[5-(4-fluoro-phenyl)-1H-pyrrol...) Show SMILES Fc1ccc(cc1)-c1ccc(CN2CCN(CC2)c2cccc3ccoc23)[nH]1 Show InChI InChI=1S/C23H22FN3O/c24-19-6-4-17(5-7-19)21-9-8-20(25-21)16-26-11-13-27(14-12-26)22-3-1-2-18-10-15-28-23(18)22/h1-10,15,25H,11-14,16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 1A receptor determined using [3H]-8-OH-DPAT as radioligand				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50103840 (1-Biphenyl-3-ylmethyl-4-(2,3-dihydro-benzo[1,4]dio...) Show SMILES C(N1CCN(CC1)c1cccc2OCCOc12)c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C25H26N2O2/c1-2-7-21(8-3-1)22-9-4-6-20(18-22)19-26-12-14-27(15-13-26)23-10-5-11-24-25(23)29-17-16-28-24/h1-11,18H,12-17,19H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for dopamine receptor D2 determined using [3H]-spiperone				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50316947 (CHEMBL1087818 | N-(3-(2-(8-((2-oxo-1,2,3,4-tetrahy...) Show SMILES CS(=O)(=O)Nc1cccc(OCCN2CC3CCC(C2)C3Cc2ccc3CCC(=O)Nc3c2)c1 Show InChI InChI=1S/C26H33N3O4S/c1-34(31,32)28-22-3-2-4-23(15-22)33-12-11-29-16-20-7-8-21(17-29)24(20)13-18-5-6-19-9-10-26(30)27-25(19)14-18/h2-6,14-15,20-21,24,28H,7-13,16-17H2,1H3,(H,27,30)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]citalopram form human SRET by liquid scintillation counting				Bioorg Med Chem Lett 20: 2983-6 (2010) Article DOI: 10.1016/j.bmcl.2010.02.105 BindingDB Entry DOI: 10.7270/Q2VH5P0Q
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50103843 (7-[4-(5-Phenyl-pyridin-3-ylmethyl)-piperazin-1-yl]...) Show SMILES O=c1[nH]c2cccc(N3CCN(Cc4cncc(c4)-c4ccccc4)CC3)c2o1 Show InChI InChI=1S/C23H22N4O2/c28-23-25-20-7-4-8-21(22(20)29-23)27-11-9-26(10-12-27)16-17-13-19(15-24-14-17)18-5-2-1-3-6-18/h1-8,13-15H,9-12,16H2,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for dopamine receptor D2 determined using [3H]-spiperone				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50316955 ((R)-3-((4-((2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)...) Show SMILES O=C1Cc2c(N1)ccc1O[C@H](CN3CCC(Cc4ccc5CCC(=O)Nc5c4)CC3)COc21 |r| Show InChI InChI=1S/C26H29N3O4/c30-24-6-3-18-2-1-17(12-22(18)28-24)11-16-7-9-29(10-8-16)14-19-15-32-26-20-13-25(31)27-21(20)4-5-23(26)33-19/h1-2,4-5,12,16,19H,3,6-11,13-15H2,(H,27,31)(H,28,30)/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]citalopram form human SRET by liquid scintillation counting				Bioorg Med Chem Lett 20: 2983-6 (2010) Article DOI: 10.1016/j.bmcl.2010.02.105 BindingDB Entry DOI: 10.7270/Q2VH5P0Q
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50103847 (3'-[4-(2-Oxo-2,3-dihydro-benzooxazol-7-yl)-piperaz...) Show SMILES O=c1[nH]c2cccc(N3CCN(Cc4cccc(c4)-c4ccccc4C#N)CC3)c2o1 Show InChI InChI=1S/C25H22N4O2/c26-16-20-6-1-2-8-21(20)19-7-3-5-18(15-19)17-28-11-13-29(14-12-28)23-10-4-9-22-24(23)31-25(30)27-22/h1-10,15H,11-14,17H2,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for dopamine receptor D2 determined using [3H]-spiperone				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50302213 ((3S)-3-(((6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-...) Show SMILES Fc1ccc2[nH]c3CCC(CNC[C@H]4COc5c6CC(=O)Nc6ccc5O4)Cc3c2c1 |r| Show InChI InChI=1S/C24H24FN3O3/c25-14-2-4-20-17(8-14)16-7-13(1-3-19(16)27-20)10-26-11-15-12-30-24-18-9-23(29)28-21(18)5-6-22(24)31-15/h2,4-6,8,13,15,26-27H,1,3,7,9-12H2,(H,28,29)/t13?,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Agonist activity at 5-HT2A receptor				Bioorg Med Chem Lett 19: 5552-5 (2009) Article DOI: 10.1016/j.bmcl.2009.08.050 BindingDB Entry DOI: 10.7270/Q2Z89DCC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50302213 ((3S)-3-(((6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-...) Show SMILES Fc1ccc2[nH]c3CCC(CNC[C@H]4COc5c6CC(=O)Nc6ccc5O4)Cc3c2c1 |r| Show InChI InChI=1S/C24H24FN3O3/c25-14-2-4-20-17(8-14)16-7-13(1-3-19(16)27-20)10-26-11-15-12-30-24-18-9-23(29)28-21(18)5-6-22(24)31-15/h2,4-6,8,13,15,26-27H,1,3,7,9-12H2,(H,28,29)/t13?,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Agonist activity at 5-HT2A receptor				Bioorg Med Chem Lett 19: 5552-5 (2009) Article DOI: 10.1016/j.bmcl.2009.08.050 BindingDB Entry DOI: 10.7270/Q2Z89DCC
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50103831 (7-[4-(3-Thiophen-2-yl-benzyl)-piperazin-1-yl]-3H-b...) Show SMILES O=c1[nH]c2cccc(N3CCN(Cc4cccc(c4)-c4cccs4)CC3)c2o1 Show InChI InChI=1S/C22H21N3O2S/c26-22-23-18-6-2-7-19(21(18)27-22)25-11-9-24(10-12-25)15-16-4-1-5-17(14-16)20-8-3-13-28-20/h1-8,13-14H,9-12,15H2,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for dopamine receptor D2 determined using [3H]-spiperone				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50241119 (7-(4-Biphenyl-3-ylmethyl-piperazin-1-yl)-3H-benzoo...) Show SMILES O=c1[nH]c2cccc(N3CCN(Cc4cccc(c4)-c4ccccc4)CC3)c2o1 Show InChI InChI=1S/C24H23N3O2/c28-24-25-21-10-5-11-22(23(21)29-24)27-14-12-26(13-15-27)17-18-6-4-9-20(16-18)19-7-2-1-3-8-19/h1-11,16H,12-15,17H2,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for dopamine receptor D2 determined using [3H]-spiperone				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50316952 ((R)-3-((4-(2-oxo-1,2,3,4-tetrahydroquinolin-7-ylox...) Show SMILES O=C1Cc2c(N1)ccc1O[C@H](CN3CCC(CC3)Oc3ccc4CCC(=O)Nc4c3)COc21 |r| Show InChI InChI=1S/C25H27N3O5/c29-23-6-2-15-1-3-17(11-21(15)27-23)32-16-7-9-28(10-8-16)13-18-14-31-25-19-12-24(30)26-20(19)4-5-22(25)33-18/h1,3-5,11,16,18H,2,6-10,12-14H2,(H,26,30)(H,27,29)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]spiperone form human dopamine D2 receptor by liquid scintillation counting				Bioorg Med Chem Lett 20: 2983-6 (2010) Article DOI: 10.1016/j.bmcl.2010.02.105 BindingDB Entry DOI: 10.7270/Q2VH5P0Q
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50103846 (7-{4-[2-(4-Fluoro-phenyl)-pyridin-4-ylmethyl]-pipe...) Show SMILES Fc1ccc(cc1)-c1cc(CN2CCN(CC2)c2cccc3[nH]c(=O)oc23)ccn1 Show InChI InChI=1S/C23H21FN4O2/c24-18-6-4-17(5-7-18)20-14-16(8-9-25-20)15-27-10-12-28(13-11-27)21-3-1-2-19-22(21)30-23(29)26-19/h1-9,14H,10-13,15H2,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for dopamine receptor D2 determined using [3H]-spiperone				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50302213 ((3S)-3-(((6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-...) Show SMILES Fc1ccc2[nH]c3CCC(CNC[C@H]4COc5c6CC(=O)Nc6ccc5O4)Cc3c2c1 |r| Show InChI InChI=1S/C24H24FN3O3/c25-14-2-4-20-17(8-14)16-7-13(1-3-19(16)27-20)10-26-11-15-12-30-24-18-9-23(29)28-21(18)5-6-22(24)31-15/h2,4-6,8,13,15,26-27H,1,3,7,9-12H2,(H,28,29)/t13?,15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from D2 receptor				Bioorg Med Chem Lett 19: 5552-5 (2009) Article DOI: 10.1016/j.bmcl.2009.08.050 BindingDB Entry DOI: 10.7270/Q2Z89DCC
					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	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]spiperone form human dopamine D2 receptor by liquid scintillation counting				Bioorg Med Chem Lett 20: 2983-6 (2010) Article DOI: 10.1016/j.bmcl.2010.02.105 BindingDB Entry DOI: 10.7270/Q2VH5P0Q
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50302213 ((3S)-3-(((6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-...) Show SMILES Fc1ccc2[nH]c3CCC(CNC[C@H]4COc5c6CC(=O)Nc6ccc5O4)Cc3c2c1 |r| Show InChI InChI=1S/C24H24FN3O3/c25-14-2-4-20-17(8-14)16-7-13(1-3-19(16)27-20)10-26-11-15-12-30-24-18-9-23(29)28-21(18)5-6-22(24)31-15/h2,4-6,8,13,15,26-27H,1,3,7,9-12H2,(H,28,29)/t13?,15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from D2 receptor				Bioorg Med Chem Lett 19: 5552-5 (2009) Article DOI: 10.1016/j.bmcl.2009.08.050 BindingDB Entry DOI: 10.7270/Q2Z89DCC
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50302218 (7-(1-((6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-y...) Show SMILES Fc1ccc2[nH]c3CCC(CN4CCC(CC4)Oc4cccc5[nH]c(=O)oc45)Cc3c2c1 Show InChI InChI=1S/C25H26FN3O3/c26-16-5-7-21-19(13-16)18-12-15(4-6-20(18)27-21)14-29-10-8-17(9-11-29)31-23-3-1-2-22-24(23)32-25(30)28-22/h1-3,5,7,13,15,17,27H,4,6,8-12,14H2,(H,28,30)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from human serotonin transporter expressed in HEK293 cells by scintillation proximity assay				Bioorg Med Chem Lett 19: 5552-5 (2009) Article DOI: 10.1016/j.bmcl.2009.08.050 BindingDB Entry DOI: 10.7270/Q2Z89DCC
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50103827 (7-{4-[6-(4-Fluoro-phenyl)-pyridin-2-ylmethyl]-pipe...) Show SMILES Fc1ccc(cc1)-c1cccc(CN2CCN(CC2)c2cccc3[nH]c(=O)oc23)n1 Show InChI InChI=1S/C23H21FN4O2/c24-17-9-7-16(8-10-17)19-4-1-3-18(25-19)15-27-11-13-28(14-12-27)21-6-2-5-20-22(21)30-23(29)26-20/h1-10H,11-15H2,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for dopamine receptor D2 determined using [3H]-spiperone				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					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	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from D2 receptor				Bioorg Med Chem Lett 19: 5552-5 (2009) Article DOI: 10.1016/j.bmcl.2009.08.050 BindingDB Entry DOI: 10.7270/Q2Z89DCC
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50001885 ((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...) Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for dopamine receptor D2 determined using [3H]-spiperone				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50103844 (5-(4-Biphenyl-3-ylmethyl-piperazin-1-yl)-1,2,3,4-t...) Show SMILES C(N1CCN(CC1)c1cccc2NCCCc12)c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C26H29N3/c1-2-8-22(9-3-1)23-10-4-7-21(19-23)20-28-15-17-29(18-16-28)26-13-5-12-25-24(26)11-6-14-27-25/h1-5,7-10,12-13,19,27H,6,11,14-18,20H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for dopamine receptor D2 determined using [3H]-spiperone				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50103834 (4-Fluoro-N-{2-[4-(2-oxo-2,3-dihydro-benzooxazol-7-...) Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1cccc2[nH]c(=O)oc12 Show InChI InChI=1S/C20H21FN4O3/c21-15-6-4-14(5-7-15)19(26)22-8-9-24-10-12-25(13-11-24)17-3-1-2-16-18(17)28-20(27)23-16/h1-7H,8-13H2,(H,22,26)(H,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for dopamine receptor D2 determined using [3H]-spiperone				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50019960 (4-Fluoro-N-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl...) Show SMILES COc1ccccc1N1CCN(CCNC(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C20H24FN3O2/c1-26-19-5-3-2-4-18(19)24-14-12-23(13-15-24)11-10-22-20(25)16-6-8-17(21)9-7-16/h2-9H,10-15H2,1H3,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for dopamine receptor D2 determined using [3H]-spiperone				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50316946 (CHEMBL1087585 | N-(2-fluoro-5-(2-(8-((2-oxo-1,2,3,...) Show SMILES CS(=O)(=O)Nc1cc(OCCN2CC3CCC(C2)C3Cc2ccc3CCC(=O)Nc3c2)ccc1F Show InChI InChI=1S/C26H32FN3O4S/c1-35(32,33)29-25-14-21(7-8-23(25)27)34-11-10-30-15-19-4-5-20(16-30)22(19)12-17-2-3-18-6-9-26(31)28-24(18)13-17/h2-3,7-8,13-14,19-20,22,29H,4-6,9-12,15-16H2,1H3,(H,28,31)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]citalopram form human SRET by liquid scintillation counting				Bioorg Med Chem Lett 20: 2983-6 (2010) Article DOI: 10.1016/j.bmcl.2010.02.105 BindingDB Entry DOI: 10.7270/Q2VH5P0Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50302212 ((3S)-3-((3-( 6-fluoro-2,3,4,9-tetrahydro-1H-carbaz...) Show SMILES Fc1ccc2[nH]c3CC(CCCNC[C@H]4COc5c6CC(=O)Nc6ccc5O4)CCc3c2c1 |r| Show InChI InChI=1S/C26H28FN3O3/c27-16-4-6-21-19(11-16)18-5-3-15(10-23(18)29-21)2-1-9-28-13-17-14-32-26-20-12-25(31)30-22(20)7-8-24(26)33-17/h4,6-8,11,15,17,28-29H,1-3,5,9-10,12-14H2,(H,30,31)/t15?,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Agonist activity at 5-HT2A receptor				Bioorg Med Chem Lett 19: 5552-5 (2009) Article DOI: 10.1016/j.bmcl.2009.08.050 BindingDB Entry DOI: 10.7270/Q2Z89DCC
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50103828 (3'-[4-(2-Oxo-2,3-dihydro-benzooxazol-7-yl)-piperaz...) Show SMILES O=c1[nH]c2cccc(N3CCN(Cc4cccc(c4)-c4cccc(c4)C#N)CC3)c2o1 Show InChI InChI=1S/C25H22N4O2/c26-16-18-4-1-6-20(14-18)21-7-2-5-19(15-21)17-28-10-12-29(13-11-28)23-9-3-8-22-24(23)31-25(30)27-22/h1-9,14-15H,10-13,17H2,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for dopamine receptor D2 determined using [3H]-spiperone				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50316948 ((R)-7-[8-(2-Oxo-1,2,3,4-tetrahydro-quinolin-7-ylme...) Show SMILES O=C1Cc2c(N1)ccc1O[C@H](CN3CC4CCC(C3)C4Cc3ccc4CCC(=O)Nc4c3)COc21 |r| Show InChI InChI=1S/C28H31N3O4/c32-26-8-5-17-2-1-16(10-24(17)30-26)9-21-18-3-4-19(21)13-31(12-18)14-20-15-34-28-22-11-27(33)29-23(22)6-7-25(28)35-20/h1-2,6-7,10,18-21H,3-5,8-9,11-15H2,(H,29,33)(H,30,32)/t18?,19?,20-,21?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]spiperone form human dopamine D2 receptor by liquid scintillation counting				Bioorg Med Chem Lett 20: 2983-6 (2010) Article DOI: 10.1016/j.bmcl.2010.02.105 BindingDB Entry DOI: 10.7270/Q2VH5P0Q
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50316946 (CHEMBL1087585 | N-(2-fluoro-5-(2-(8-((2-oxo-1,2,3,...) Show SMILES CS(=O)(=O)Nc1cc(OCCN2CC3CCC(C2)C3Cc2ccc3CCC(=O)Nc3c2)ccc1F Show InChI InChI=1S/C26H32FN3O4S/c1-35(32,33)29-25-14-21(7-8-23(25)27)34-11-10-30-15-19-4-5-20(16-30)22(19)12-17-2-3-18-6-9-26(31)28-24(18)13-17/h2-3,7-8,13-14,19-20,22,29H,4-6,9-12,15-16H2,1H3,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]spiperone form human dopamine D2 receptor by liquid scintillation counting				Bioorg Med Chem Lett 20: 2983-6 (2010) Article DOI: 10.1016/j.bmcl.2010.02.105 BindingDB Entry DOI: 10.7270/Q2VH5P0Q
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50302213 ((3S)-3-(((6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-...) Show SMILES Fc1ccc2[nH]c3CCC(CNC[C@H]4COc5c6CC(=O)Nc6ccc5O4)Cc3c2c1 |r| Show InChI InChI=1S/C24H24FN3O3/c25-14-2-4-20-17(8-14)16-7-13(1-3-19(16)27-20)10-26-11-15-12-30-24-18-9-23(29)28-21(18)5-6-22(24)31-15/h2,4-6,8,13,15,26-27H,1,3,7,9-12H2,(H,28,29)/t13?,15-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from human serotonin transporter expressed in HEK293 cells by scintillation proximity assay				Bioorg Med Chem Lett 19: 5552-5 (2009) Article DOI: 10.1016/j.bmcl.2009.08.050 BindingDB Entry DOI: 10.7270/Q2Z89DCC
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50302213 ((3S)-3-(((6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-...) Show SMILES Fc1ccc2[nH]c3CCC(CNC[C@H]4COc5c6CC(=O)Nc6ccc5O4)Cc3c2c1 |r| Show InChI InChI=1S/C24H24FN3O3/c25-14-2-4-20-17(8-14)16-7-13(1-3-19(16)27-20)10-26-11-15-12-30-24-18-9-23(29)28-21(18)5-6-22(24)31-15/h2,4-6,8,13,15,26-27H,1,3,7,9-12H2,(H,28,29)/t13?,15-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from human serotonin transporter expressed in HEK293 cells by scintillation proximity assay				Bioorg Med Chem Lett 19: 5552-5 (2009) Article DOI: 10.1016/j.bmcl.2009.08.050 BindingDB Entry DOI: 10.7270/Q2Z89DCC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50103826 (7-[4-(6-Hydroxy-biphenyl-3-ylmethyl)-piperazin-1-y...) Show SMILES Oc1ccc(CN2CCN(CC2)c2cccc3[nH]c(=O)oc23)cc1-c1ccccc1 Show InChI InChI=1S/C24H23N3O3/c28-22-10-9-17(15-19(22)18-5-2-1-3-6-18)16-26-11-13-27(14-12-26)21-8-4-7-20-23(21)30-24(29)25-20/h1-10,15,28H,11-14,16H2,(H,25,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 1A receptor determined using [3H]-8-OH-DPAT as radioligand				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50103843 (7-[4-(5-Phenyl-pyridin-3-ylmethyl)-piperazin-1-yl]...) Show SMILES O=c1[nH]c2cccc(N3CCN(Cc4cncc(c4)-c4ccccc4)CC3)c2o1 Show InChI InChI=1S/C23H22N4O2/c28-23-25-20-7-4-8-21(22(20)29-23)27-11-9-26(10-12-27)16-17-13-19(15-24-14-17)18-5-2-1-3-6-18/h1-8,13-15H,9-12,16H2,(H,25,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 1A receptor determined using [3H]-8-OH-DPAT as radioligand				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50103834 (4-Fluoro-N-{2-[4-(2-oxo-2,3-dihydro-benzooxazol-7-...) Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1cccc2[nH]c(=O)oc12 Show InChI InChI=1S/C20H21FN4O3/c21-15-6-4-14(5-7-15)19(26)22-8-9-24-10-12-25(13-11-24)17-3-1-2-16-18(17)28-20(27)23-16/h1-7H,8-13H2,(H,22,26)(H,23,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 1A receptor determined using [3H]-8-OH-DPAT as radioligand				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50316955 ((R)-3-((4-((2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)...) Show SMILES O=C1Cc2c(N1)ccc1O[C@H](CN3CCC(Cc4ccc5CCC(=O)Nc5c4)CC3)COc21 |r| Show InChI InChI=1S/C26H29N3O4/c30-24-6-3-18-2-1-17(12-22(18)28-24)11-16-7-9-29(10-8-16)14-19-15-32-26-20-13-25(31)27-21(20)4-5-23(26)33-19/h1-2,4-5,12,16,19H,3,6-11,13-15H2,(H,27,31)(H,28,30)/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]spiperone form human dopamine D2 receptor by liquid scintillation counting				Bioorg Med Chem Lett 20: 2983-6 (2010) Article DOI: 10.1016/j.bmcl.2010.02.105 BindingDB Entry DOI: 10.7270/Q2VH5P0Q
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50302224 (7-((1R,4R)-5-((6-fluoro-2,3,4,9-tetrahydro-1H-carb...) Show SMILES Fc1ccc2[nH]c3CCC(CN4C[C@H]5C[C@@H]4CN5c4cccc5[nH]c(=O)oc45)Cc3c2c1 |r| Show InChI InChI=1S/C25H25FN4O2/c26-15-5-7-21-19(9-15)18-8-14(4-6-20(18)27-21)11-29-12-17-10-16(29)13-30(17)23-3-1-2-22-24(23)32-25(31)28-22/h1-3,5,7,9,14,16-17,27H,4,6,8,10-13H2,(H,28,31)/t14?,16-,17-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from human serotonin transporter expressed in HEK293 cells by scintillation proximity assay				Bioorg Med Chem Lett 19: 5552-5 (2009) Article DOI: 10.1016/j.bmcl.2009.08.050 BindingDB Entry DOI: 10.7270/Q2Z89DCC
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50103832 (1-Benzofuran-7-yl-4-biphenyl-3-ylmethyl-piperazine...) Show SMILES C(N1CCN(CC1)c1cccc2ccoc12)c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C25H24N2O/c1-2-7-21(8-3-1)23-10-4-6-20(18-23)19-26-13-15-27(16-14-26)24-11-5-9-22-12-17-28-25(22)24/h1-12,17-18H,13-16,19H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	8.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for dopamine receptor D2 determined using [3H]-spiperone				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50103833 (7-[4-(4'-Fluoro-biphenyl-3-ylmethyl)-piperazin-1-y...) Show SMILES Fc1ccc(cc1)-c1cccc(CN2CCN(CC2)c2cccc3[nH]c(=O)oc23)c1 Show InChI InChI=1S/C24H22FN3O2/c25-20-9-7-18(8-10-20)19-4-1-3-17(15-19)16-27-11-13-28(14-12-27)22-6-2-5-21-23(22)30-24(29)26-21/h1-10,15H,11-14,16H2,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	8.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for dopamine receptor D2 determined using [3H]-spiperone				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair

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