Compile Data Set for Download or QSAR

Found 160 hits with Last Name = 'egle' and Initial = 'i'   

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
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50133454 (4-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol...) Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)C(=O)Nc1ccc(C)cc1 |t:19| Show InChI InChI=1S/C27H32N4O/c1-19-5-8-23(9-6-19)29-27(32)31-14-11-20(12-15-31)21-7-10-26-25(17-21)22(18-28-26)16-24-4-3-13-30(24)2/h5-11,17-18,24,28H,3-4,12-16H2,1-2H3,(H,29,32)/t24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards cloned human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 13: 3419-21 (2003) BindingDB Entry DOI: 10.7270/Q2PZ587T
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50133462 (4-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol...) Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)C(=S)Nc1ccc(C)cc1 |t:19| Show InChI InChI=1S/C27H32N4S/c1-19-5-8-23(9-6-19)29-27(32)31-14-11-20(12-15-31)21-7-10-26-25(17-21)22(18-28-26)16-24-4-3-13-30(24)2/h5-11,17-18,24,28H,3-4,12-16H2,1-2H3,(H,29,32)/t24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards cloned human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 13: 3419-21 (2003) BindingDB Entry DOI: 10.7270/Q2PZ587T
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50133466 (4-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol...) Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)C(=O)Nc1ccc(Cl)cc1 |t:19| Show InChI InChI=1S/C26H29ClN4O/c1-30-12-2-3-23(30)15-20-17-28-25-9-4-19(16-24(20)25)18-10-13-31(14-11-18)26(32)29-22-7-5-21(27)6-8-22/h4-10,16-17,23,28H,2-3,11-15H2,1H3,(H,29,32)/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards cloned human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 13: 3419-21 (2003) BindingDB Entry DOI: 10.7270/Q2PZ587T
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50133457 (4-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol...) Show SMILES COc1ccc(NC(=O)N2CCC(=CC2)c2ccc3[nH]cc(C[C@H]4CCCN4C)c3c2)cc1 |c:12| Show InChI InChI=1S/C27H32N4O2/c1-30-13-3-4-23(30)16-21-18-28-26-10-5-20(17-25(21)26)19-11-14-31(15-12-19)27(32)29-22-6-8-24(33-2)9-7-22/h5-11,17-18,23,28H,3-4,12-16H2,1-2H3,(H,29,32)/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards cloned human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 13: 3419-21 (2003) BindingDB Entry DOI: 10.7270/Q2PZ587T
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50133468 (4-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol...) Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)C(=O)Nc1cccc2ccccc12 |t:19| Show InChI InChI=1S/C30H32N4O/c1-33-15-5-8-25(33)18-24-20-31-28-12-11-23(19-27(24)28)21-13-16-34(17-14-21)30(35)32-29-10-4-7-22-6-2-3-9-26(22)29/h2-4,6-7,9-13,19-20,25,31H,5,8,14-18H2,1H3,(H,32,35)/t25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards cloned human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 13: 3419-21 (2003) BindingDB Entry DOI: 10.7270/Q2PZ587T
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50133465 (4-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol...) Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)C(=O)Nc1ccccc1 |t:19| Show InChI InChI=1S/C26H30N4O/c1-29-13-5-8-23(29)16-21-18-27-25-10-9-20(17-24(21)25)19-11-14-30(15-12-19)26(31)28-22-6-3-2-4-7-22/h2-4,6-7,9-11,17-18,23,27H,5,8,12-16H2,1H3,(H,28,31)/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards cloned human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 13: 3419-21 (2003) BindingDB Entry DOI: 10.7270/Q2PZ587T
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50133453 (4-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol...) Show SMILES COc1ccc(NC(=S)N2CCC(=CC2)c2ccc3[nH]cc(C[C@H]4CCCN4C)c3c2)cc1 |c:12| Show InChI InChI=1S/C27H32N4OS/c1-30-13-3-4-23(30)16-21-18-28-26-10-5-20(17-25(21)26)19-11-14-31(15-12-19)27(33)29-22-6-8-24(32-2)9-7-22/h5-11,17-18,23,28H,3-4,12-16H2,1-2H3,(H,29,33)/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards cloned human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 13: 3419-21 (2003) BindingDB Entry DOI: 10.7270/Q2PZ587T
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50133451 (4-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol...) Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)C(=S)Nc1ccc(Cl)cc1 |t:19| Show InChI InChI=1S/C26H29ClN4S/c1-30-12-2-3-23(30)15-20-17-28-25-9-4-19(16-24(20)25)18-10-13-31(14-11-18)26(32)29-22-7-5-21(27)6-8-22/h4-10,16-17,23,28H,2-3,11-15H2,1H3,(H,29,32)/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards cloned human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 13: 3419-21 (2003) BindingDB Entry DOI: 10.7270/Q2PZ587T
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50133458 (4-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol...) Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)C(=S)Nc1ccccc1 |t:19| Show InChI InChI=1S/C26H30N4S/c1-29-13-5-8-23(29)16-21-18-27-25-10-9-20(17-24(21)25)19-11-14-30(15-12-19)26(31)28-22-6-3-2-4-7-22/h2-4,6-7,9-11,17-18,23,27H,5,8,12-16H2,1H3,(H,28,31)/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards cloned human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 13: 3419-21 (2003) BindingDB Entry DOI: 10.7270/Q2PZ587T
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50133459 (4-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol...) Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)C(=S)Nc1cccc2ccccc12 |t:19| Show InChI InChI=1S/C30H32N4S/c1-33-15-5-8-25(33)18-24-20-31-28-12-11-23(19-27(24)28)21-13-16-34(17-14-21)30(35)32-29-10-4-7-22-6-2-3-9-26(22)29/h2-4,6-7,9-13,19-20,25,31H,5,8,14-18H2,1H3,(H,32,35)/t25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards cloned human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 13: 3419-21 (2003) BindingDB Entry DOI: 10.7270/Q2PZ587T
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50133452 (5-[1-(4-Methoxy-benzenesulfonyl)-1,2,3,6-tetrahydr...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCC(=CC1)c1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1 |c:15| Show InChI InChI=1S/C26H31N3O3S/c1-28-13-3-4-22(28)16-21-18-27-26-10-5-20(17-25(21)26)19-11-14-29(15-12-19)33(30,31)24-8-6-23(32-2)7-9-24/h5-11,17-18,22,27H,3-4,12-16H2,1-2H3/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards cloned human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 13: 3419-21 (2003) BindingDB Entry DOI: 10.7270/Q2PZ587T
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50133464 (3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-5-[1-(tolue...) Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)S(=O)(=O)c1ccc(C)cc1 |t:19| Show InChI InChI=1S/C26H31N3O2S/c1-19-5-8-24(9-6-19)32(30,31)29-14-11-20(12-15-29)21-7-10-26-25(17-21)22(18-27-26)16-23-4-3-13-28(23)2/h5-11,17-18,23,27H,3-4,12-16H2,1-2H3/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards cloned human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 13: 3419-21 (2003) BindingDB Entry DOI: 10.7270/Q2PZ587T
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50133455 (3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-5-[1-(napht...) Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)S(=O)(=O)c1cccc2ccccc12 |t:19| Show InChI InChI=1S/C29H31N3O2S/c1-31-15-5-8-25(31)18-24-20-30-28-12-11-23(19-27(24)28)21-13-16-32(17-14-21)35(33,34)29-10-4-7-22-6-2-3-9-26(22)29/h2-4,6-7,9-13,19-20,25,30H,5,8,14-18H2,1H3/t25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards cloned human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 13: 3419-21 (2003) BindingDB Entry DOI: 10.7270/Q2PZ587T
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50152303 (CHEMBL361035 | N-((S)-1-Benzyl-pyrrolidin-3-yl)-3-...) Show SMILES O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cccc(c1)-c1cccs1 Show InChI InChI=1S/C22H22N2OS/c25-22(19-9-4-8-18(14-19)21-10-5-13-26-21)23-20-11-12-24(16-20)15-17-6-2-1-3-7-17/h1-10,13-14,20H,11-12,15-16H2,(H,23,25)/t20-/m0/s1	PDB Reactome pathway 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
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Ability to displace [3H]-spiperone from human Dopamine receptor D4.2 stably transfected in human embryonic kidney 298 cells				Bioorg Med Chem Lett 14: 4847-50 (2004) Article DOI: 10.1016/j.bmcl.2004.07.045 BindingDB Entry DOI: 10.7270/Q20C4V7D
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50133462 (4-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol...) Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)C(=S)Nc1ccc(C)cc1 |t:19| Show InChI InChI=1S/C27H32N4S/c1-19-5-8-23(9-6-19)29-27(32)31-14-11-20(12-15-31)21-7-10-26-25(17-21)22(18-28-26)16-24-4-3-13-30(24)2/h5-11,17-18,24,28H,3-4,12-16H2,1-2H3,(H,29,32)/t24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards cloned human 5-hydroxytryptamine 1B receptor				Bioorg Med Chem Lett 13: 3419-21 (2003) BindingDB Entry DOI: 10.7270/Q2PZ587T
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50152303 (CHEMBL361035 | N-((S)-1-Benzyl-pyrrolidin-3-yl)-3-...) Show SMILES O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cccc(c1)-c1cccs1 Show InChI InChI=1S/C22H22N2OS/c25-22(19-9-4-8-18(14-19)21-10-5-13-26-21)23-20-11-12-24(16-20)15-17-6-2-1-3-7-17/h1-10,13-14,20H,11-12,15-16H2,(H,23,25)/t20-/m0/s1	PDB Reactome pathway 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
NPS Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from cloned human dopamine D4.2 receptor in HEK298 cells				Bioorg Med Chem Lett 15: 5253-6 (2005) Article DOI: 10.1016/j.bmcl.2005.08.051 BindingDB Entry DOI: 10.7270/Q26D5TSR
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50133451 (4-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol...) Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)C(=S)Nc1ccc(Cl)cc1 |t:19| Show InChI InChI=1S/C26H29ClN4S/c1-30-12-2-3-23(30)15-20-17-28-25-9-4-19(16-24(20)25)18-10-13-31(14-11-18)26(32)29-22-7-5-21(27)6-8-22/h4-10,16-17,23,28H,2-3,11-15H2,1H3,(H,29,32)/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards cloned human 5-hydroxytryptamine 1B receptor				Bioorg Med Chem Lett 13: 3419-21 (2003) BindingDB Entry DOI: 10.7270/Q2PZ587T
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50152314 ((S)-N-(1-benzylpyrrolidin-3-yl)-4-(thiophen-2-yl)b...) Show SMILES O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(cc1)-c1cccs1 Show InChI InChI=1S/C22H22N2OS/c25-22(19-10-8-18(9-11-19)21-7-4-14-26-21)23-20-12-13-24(16-20)15-17-5-2-1-3-6-17/h1-11,14,20H,12-13,15-16H2,(H,23,25)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from cloned human 5HT2A receptor in HEK298 cells				Bioorg Med Chem Lett 15: 5253-6 (2005) Article DOI: 10.1016/j.bmcl.2005.08.051 BindingDB Entry DOI: 10.7270/Q26D5TSR
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50152306 (CHEMBL187122 | N-(1-Benzyl-pyrrolidin-3-yl)-4-thio...) Show SMILES O=C(NC1CCN(Cc2ccccc2)C1)c1ccc(cc1)-c1ccsc1 Show InChI InChI=1S/C22H22N2OS/c25-22(19-8-6-18(7-9-19)20-11-13-26-16-20)23-21-10-12-24(15-21)14-17-4-2-1-3-5-17/h1-9,11,13,16,21H,10,12,14-15H2,(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Ability to displace [3H]-spiperone from human Dopamine receptor D4.2 stably transfected in human embryonic kidney 298 cells				Bioorg Med Chem Lett 14: 4847-50 (2004) Article DOI: 10.1016/j.bmcl.2004.07.045 BindingDB Entry DOI: 10.7270/Q20C4V7D
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50152296 (CHEMBL364782 | N-((S)-1-Benzyl-pyrrolidin-3-yl)-4-...) Show SMILES O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(cc1)-c1ccsc1 Show InChI InChI=1S/C22H22N2OS/c25-22(19-8-6-18(7-9-19)20-11-13-26-16-20)23-21-10-12-24(15-21)14-17-4-2-1-3-5-17/h1-9,11,13,16,21H,10,12,14-15H2,(H,23,25)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Ability to displace [3H]-spiperone from human Dopamine receptor D4.2 stably transfected in human embryonic kidney 298 cells				Bioorg Med Chem Lett 14: 4847-50 (2004) Article DOI: 10.1016/j.bmcl.2004.07.045 BindingDB Entry DOI: 10.7270/Q20C4V7D
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50152298 (CHEMBL426062 | N-((S)-1-Benzyl-pyrrolidin-3-yl)-3-...) Show SMILES O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cccc(c1)-c1ccsc1 Show InChI InChI=1S/C22H22N2OS/c25-22(19-8-4-7-18(13-19)20-10-12-26-16-20)23-21-9-11-24(15-21)14-17-5-2-1-3-6-17/h1-8,10,12-13,16,21H,9,11,14-15H2,(H,23,25)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Ability to displace [3H]-spiperone from human Dopamine receptor D4.2 stably transfected in human embryonic kidney 298 cells				Bioorg Med Chem Lett 14: 4847-50 (2004) Article DOI: 10.1016/j.bmcl.2004.07.045 BindingDB Entry DOI: 10.7270/Q20C4V7D
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50133467 (4-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol...) Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)C(=S)NC1CCCCC1 |t:19| Show InChI InChI=1S/C26H36N4S/c1-29-13-5-8-23(29)16-21-18-27-25-10-9-20(17-24(21)25)19-11-14-30(15-12-19)26(31)28-22-6-3-2-4-7-22/h9-11,17-18,22-23,27H,2-8,12-16H2,1H3,(H,28,31)/t23-/m1/s1	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
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards cloned human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 13: 3419-21 (2003) BindingDB Entry DOI: 10.7270/Q2PZ587T
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50133453 (4-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol...) Show SMILES COc1ccc(NC(=S)N2CCC(=CC2)c2ccc3[nH]cc(C[C@H]4CCCN4C)c3c2)cc1 |c:12| Show InChI InChI=1S/C27H32N4OS/c1-30-13-3-4-23(30)16-21-18-28-26-10-5-20(17-25(21)26)19-11-14-31(15-12-19)27(33)29-22-6-8-24(32-2)9-7-22/h5-11,17-18,23,28H,3-4,12-16H2,1-2H3,(H,29,33)/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards cloned human 5-hydroxytryptamine 1B receptor				Bioorg Med Chem Lett 13: 3419-21 (2003) BindingDB Entry DOI: 10.7270/Q2PZ587T
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50152297 (CHEMBL187236 | N-(1-Benzyl-pyrrolidin-3-yl)-4-thio...) Show SMILES O=C(NC1CCN(Cc2ccccc2)C1)c1ccc(cc1)-c1cccs1 Show InChI InChI=1S/C22H22N2OS/c25-22(19-10-8-18(9-11-19)21-7-4-14-26-21)23-20-12-13-24(16-20)15-17-5-2-1-3-6-17/h1-11,14,20H,12-13,15-16H2,(H,23,25)	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
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Ability to displace [3H]-spiperone from human Dopamine receptor D4.2 stably transfected in human embryonic kidney 298 cells				Bioorg Med Chem Lett 14: 4847-50 (2004) Article DOI: 10.1016/j.bmcl.2004.07.045 BindingDB Entry DOI: 10.7270/Q20C4V7D
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50133456 (4-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol...) Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)C(=O)NC1CCCCC1 |t:19| Show InChI InChI=1S/C26H36N4O/c1-29-13-5-8-23(29)16-21-18-27-25-10-9-20(17-24(21)25)19-11-14-30(15-12-19)26(31)28-22-6-3-2-4-7-22/h9-11,17-18,22-23,27H,2-8,12-16H2,1H3,(H,28,31)/t23-/m1/s1	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
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards cloned human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 13: 3419-21 (2003) BindingDB Entry DOI: 10.7270/Q2PZ587T
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50133454 (4-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol...) Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)C(=O)Nc1ccc(C)cc1 |t:19| Show InChI InChI=1S/C27H32N4O/c1-19-5-8-23(9-6-19)29-27(32)31-14-11-20(12-15-31)21-7-10-26-25(17-21)22(18-28-26)16-24-4-3-13-30(24)2/h5-11,17-18,24,28H,3-4,12-16H2,1-2H3,(H,29,32)/t24-/m1/s1	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
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards cloned human 5-hydroxytryptamine 1B receptor				Bioorg Med Chem Lett 13: 3419-21 (2003) BindingDB Entry DOI: 10.7270/Q2PZ587T
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50152314 ((S)-N-(1-benzylpyrrolidin-3-yl)-4-(thiophen-2-yl)b...) Show SMILES O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(cc1)-c1cccs1 Show InChI InChI=1S/C22H22N2OS/c25-22(19-10-8-18(9-11-19)21-7-4-14-26-21)23-20-12-13-24(16-20)15-17-5-2-1-3-6-17/h1-11,14,20H,12-13,15-16H2,(H,23,25)/t20-/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
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Ability to displace [3H]-spiperone from human Dopamine receptor D4.2 stably transfected in human embryonic kidney 298 cells				Bioorg Med Chem Lett 14: 4847-50 (2004) Article DOI: 10.1016/j.bmcl.2004.07.045 BindingDB Entry DOI: 10.7270/Q20C4V7D
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50152305 (Biphenyl-4-carboxylic acid (1-benzyl-pyrrolidin-3-...) Show SMILES O=C(NC1CCN(Cc2ccccc2)C1)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C24H24N2O/c27-24(22-13-11-21(12-14-22)20-9-5-2-6-10-20)25-23-15-16-26(18-23)17-19-7-3-1-4-8-19/h1-14,23H,15-18H2,(H,25,27)	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
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Ability to displace [3H]-spiperone from human Dopamine receptor D4.2 stably transfected in human embryonic kidney 298 cells				Bioorg Med Chem Lett 14: 4847-50 (2004) Article DOI: 10.1016/j.bmcl.2004.07.045 BindingDB Entry DOI: 10.7270/Q20C4V7D
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50152314 ((S)-N-(1-benzylpyrrolidin-3-yl)-4-(thiophen-2-yl)b...) Show SMILES O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(cc1)-c1cccs1 Show InChI InChI=1S/C22H22N2OS/c25-22(19-10-8-18(9-11-19)21-7-4-14-26-21)23-20-12-13-24(16-20)15-17-5-2-1-3-6-17/h1-11,14,20H,12-13,15-16H2,(H,23,25)/t20-/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
NPS Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from cloned human dopamine D4.2 receptor in HEK298 cells				Bioorg Med Chem Lett 15: 5253-6 (2005) Article DOI: 10.1016/j.bmcl.2005.08.051 BindingDB Entry DOI: 10.7270/Q26D5TSR
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50133459 (4-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol...) Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)C(=S)Nc1cccc2ccccc12 |t:19| Show InChI InChI=1S/C30H32N4S/c1-33-15-5-8-25(33)18-24-20-31-28-12-11-23(19-27(24)28)21-13-16-34(17-14-21)30(35)32-29-10-4-7-22-6-2-3-9-26(22)29/h2-4,6-7,9-13,19-20,25,31H,5,8,14-18H2,1H3,(H,32,35)/t25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards cloned human 5-hydroxytryptamine 1B receptor				Bioorg Med Chem Lett 13: 3419-21 (2003) BindingDB Entry DOI: 10.7270/Q2PZ587T
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50005835 ((3-[2-(dimethylamino)ethyl]-1H-indol-5-yl)-N-methy...) Show SMILES CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1 Show InChI InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents	DrugBank PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc Curated by ChEMBL					Assay Description Binding affinity of the compound was evaluated at the cloned human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 14: 727-9 (2004) BindingDB Entry DOI: 10.7270/Q2M32V5K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50005835 ((3-[2-(dimethylamino)ethyl]-1H-indol-5-yl)-N-methy...) Show SMILES CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1 Show InChI InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents	DrugBank PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards cloned human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 13: 3419-21 (2003) BindingDB Entry DOI: 10.7270/Q2PZ587T
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50152302 (CHEMBL187113 | N-((R)-1-Benzyl-pyrrolidin-3-yl)-3-...) Show SMILES O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1cccc(c1)-c1ccsc1 Show InChI InChI=1S/C22H22N2OS/c25-22(19-8-4-7-18(13-19)20-10-12-26-16-20)23-21-9-11-24(15-21)14-17-5-2-1-3-6-17/h1-8,10,12-13,16,21H,9,11,14-15H2,(H,23,25)/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Ability to displace [3H]-spiperone from human Dopamine receptor D4.2 stably transfected in human embryonic kidney 298 cells				Bioorg Med Chem Lett 14: 4847-50 (2004) Article DOI: 10.1016/j.bmcl.2004.07.045 BindingDB Entry DOI: 10.7270/Q20C4V7D
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50133468 (4-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol...) Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)C(=O)Nc1cccc2ccccc12 |t:19| Show InChI InChI=1S/C30H32N4O/c1-33-15-5-8-25(33)18-24-20-31-28-12-11-23(19-27(24)28)21-13-16-34(17-14-21)30(35)32-29-10-4-7-22-6-2-3-9-26(22)29/h2-4,6-7,9-13,19-20,25,31H,5,8,14-18H2,1H3,(H,32,35)/t25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards cloned human 5-hydroxytryptamine 1B receptor				Bioorg Med Chem Lett 13: 3419-21 (2003) BindingDB Entry DOI: 10.7270/Q2PZ587T
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50133466 (4-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol...) Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)C(=O)Nc1ccc(Cl)cc1 |t:19| Show InChI InChI=1S/C26H29ClN4O/c1-30-12-2-3-23(30)15-20-17-28-25-9-4-19(16-24(20)25)18-10-13-31(14-11-18)26(32)29-22-7-5-21(27)6-8-22/h4-10,16-17,23,28H,2-3,11-15H2,1H3,(H,29,32)/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards cloned human 5-hydroxytryptamine 1B receptor				Bioorg Med Chem Lett 13: 3419-21 (2003) BindingDB Entry DOI: 10.7270/Q2PZ587T
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50174001 (CHEMBL381019 | N-[(S)-1-(4-Methyl-benzyl)-pyrrolid...) Show SMILES Cc1ccc(CN2CC[C@@H](C2)NC(=O)c2cccc(c2)-c2cccs2)cc1 Show InChI InChI=1S/C23H24N2OS/c1-17-7-9-18(10-8-17)15-25-12-11-21(16-25)24-23(26)20-5-2-4-19(14-20)22-6-3-13-27-22/h2-10,13-14,21H,11-12,15-16H2,1H3,(H,24,26)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from cloned human dopamine D4.2 receptor in HEK298 cells				Bioorg Med Chem Lett 15: 5253-6 (2005) Article DOI: 10.1016/j.bmcl.2005.08.051 BindingDB Entry DOI: 10.7270/Q26D5TSR
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50133463 (4-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol...) Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)C(=O)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |t:19,TLB:28:29:33:27.26.32,THB:28:27:33:29.34.30| Show InChI InChI=1S/C30H40N4O/c1-33-8-2-3-26(33)14-25-19-31-28-5-4-24(15-27(25)28)23-6-9-34(10-7-23)29(35)32-30-16-20-11-21(17-30)13-22(12-20)18-30/h4-6,15,19-22,26,31H,2-3,7-14,16-18H2,1H3,(H,32,35)/t20-,21+,22-,26-,30?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards cloned human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 13: 3419-21 (2003) BindingDB Entry DOI: 10.7270/Q2PZ587T
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50152309 (Biphenyl-3-carboxylic acid (1-benzyl-pyrrolidin-3-...) Show SMILES O=C(NC1CCN(Cc2ccccc2)C1)c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C24H24N2O/c27-24(22-13-7-12-21(16-22)20-10-5-2-6-11-20)25-23-14-15-26(18-23)17-19-8-3-1-4-9-19/h1-13,16,23H,14-15,17-18H2,(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Ability to displace [3H]-spiperone from human Dopamine receptor D4.2 stably transfected in human embryonic kidney 298 cells				Bioorg Med Chem Lett 14: 4847-50 (2004) Article DOI: 10.1016/j.bmcl.2004.07.045 BindingDB Entry DOI: 10.7270/Q20C4V7D
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50133457 (4-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol...) Show SMILES COc1ccc(NC(=O)N2CCC(=CC2)c2ccc3[nH]cc(C[C@H]4CCCN4C)c3c2)cc1 |c:12| Show InChI InChI=1S/C27H32N4O2/c1-30-13-3-4-23(30)16-21-18-28-26-10-5-20(17-25(21)26)19-11-14-31(15-12-19)27(32)29-22-6-8-24(33-2)9-7-22/h5-11,17-18,23,28H,3-4,12-16H2,1-2H3,(H,29,32)/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards cloned human 5-hydroxytryptamine 1B receptor				Bioorg Med Chem Lett 13: 3419-21 (2003) BindingDB Entry DOI: 10.7270/Q2PZ587T
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50133465 (4-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol...) Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)C(=O)Nc1ccccc1 |t:19| Show InChI InChI=1S/C26H30N4O/c1-29-13-5-8-23(29)16-21-18-27-25-10-9-20(17-24(21)25)19-11-14-30(15-12-19)26(31)28-22-6-3-2-4-7-22/h2-4,6-7,9-11,17-18,23,27H,5,8,12-16H2,1H3,(H,28,31)/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards cloned human 5-hydroxytryptamine 1B receptor				Bioorg Med Chem Lett 13: 3419-21 (2003) BindingDB Entry DOI: 10.7270/Q2PZ587T
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50174000 ((S)-N-(1-(4-fluorobenzyl)pyrrolidin-3-yl)-4-(thiop...) Show SMILES Fc1ccc(CN2CC[C@@H](C2)NC(=O)c2ccc(cc2)-c2cccs2)cc1 Show InChI InChI=1S/C22H21FN2OS/c23-19-9-3-16(4-10-19)14-25-12-11-20(15-25)24-22(26)18-7-5-17(6-8-18)21-2-1-13-27-21/h1-10,13,20H,11-12,14-15H2,(H,24,26)/t20-/m0/s1	PDB Reactome pathway 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
NPS Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from cloned human dopamine D4.2 receptor in HEK298 cells				Bioorg Med Chem Lett 15: 5253-6 (2005) Article DOI: 10.1016/j.bmcl.2005.08.051 BindingDB Entry DOI: 10.7270/Q26D5TSR
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50152311 (4''-Chloro-biphenyl-4-carboxylic acid (1-benzyl-py...) Show SMILES Clc1ccc(cc1)-c1ccc(cc1)C(=O)NC1CCN(Cc2ccccc2)C1 Show InChI InChI=1S/C24H23ClN2O/c25-22-12-10-20(11-13-22)19-6-8-21(9-7-19)24(28)26-23-14-15-27(17-23)16-18-4-2-1-3-5-18/h1-13,23H,14-17H2,(H,26,28)	PDB Reactome pathway 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
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Ability to displace [3H]-spiperone from human Dopamine receptor D4.2 stably transfected in human embryonic kidney 298 cells				Bioorg Med Chem Lett 14: 4847-50 (2004) Article DOI: 10.1016/j.bmcl.2004.07.045 BindingDB Entry DOI: 10.7270/Q20C4V7D
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50133461 (4-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol...) Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)C(=S)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |t:19,TLB:32:31:34:27.26.28,32:27:34:31.33.30| Show InChI InChI=1S/C30H40N4S/c1-33-8-2-3-26(33)14-25-19-31-28-5-4-24(15-27(25)28)23-6-9-34(10-7-23)29(35)32-30-16-20-11-21(17-30)13-22(12-20)18-30/h4-6,15,19-22,26,31H,2-3,7-14,16-18H2,1H3,(H,32,35)/t20-,21+,22-,26-,30?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards cloned human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 13: 3419-21 (2003) BindingDB Entry DOI: 10.7270/Q2PZ587T
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50133458 (4-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol...) Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)C(=S)Nc1ccccc1 |t:19| Show InChI InChI=1S/C26H30N4S/c1-29-13-5-8-23(29)16-21-18-27-25-10-9-20(17-24(21)25)19-11-14-30(15-12-19)26(31)28-22-6-3-2-4-7-22/h2-4,6-7,9-11,17-18,23,27H,5,8,12-16H2,1H3,(H,28,31)/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards cloned human 5-hydroxytryptamine 1B receptor				Bioorg Med Chem Lett 13: 3419-21 (2003) BindingDB Entry DOI: 10.7270/Q2PZ587T
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50139503 (4-Chloro-N-{4-[3-(2-pyrrolidin-1-yl-ethyl)-1H-indo...) Show SMILES Clc1ccc(cc1)C(=O)NN1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1 |c:14| Show InChI InChI=1S/C26H29ClN4O/c27-23-6-3-20(4-7-23)26(32)29-31-15-10-19(11-16-31)21-5-8-25-24(17-21)22(18-28-25)9-14-30-12-1-2-13-30/h3-8,10,17-18,28H,1-2,9,11-16H2,(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc Curated by ChEMBL					Assay Description Binding affinity of the compound was evaluated at the cloned human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 14: 727-9 (2004) BindingDB Entry DOI: 10.7270/Q2M32V5K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50139505 (4-Methoxy-N-{4-[3-(2-pyrrolidin-1-yl-ethyl)-1H-ind...) Show SMILES COc1ccc(cc1)C(=S)NN1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1 |c:15| Show InChI InChI=1S/C27H32N4OS/c1-32-24-7-4-21(5-8-24)27(33)29-31-16-11-20(12-17-31)22-6-9-26-25(18-22)23(19-28-26)10-15-30-13-2-3-14-30/h4-9,11,18-19,28H,2-3,10,12-17H2,1H3,(H,29,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc Curated by ChEMBL					Assay Description Binding affinity of the compound was evaluated at the cloned human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 14: 727-9 (2004) BindingDB Entry DOI: 10.7270/Q2M32V5K
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50174006 ((S)-N-(1-(benzo[d][1,3]dioxol-5-ylmethyl)pyrrolidi...) Show SMILES O=C(N[C@H]1CCN(Cc2ccc3OCOc3c2)C1)c1ccc(cc1)-c1cccs1 Show InChI InChI=1S/C23H22N2O3S/c26-23(18-6-4-17(5-7-18)22-2-1-11-29-22)24-19-9-10-25(14-19)13-16-3-8-20-21(12-16)28-15-27-20/h1-8,11-12,19H,9-10,13-15H2,(H,24,26)/t19-/m0/s1	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
NPS Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from cloned human dopamine D4.2 receptor in HEK298 cells				Bioorg Med Chem Lett 15: 5253-6 (2005) Article DOI: 10.1016/j.bmcl.2005.08.051 BindingDB Entry DOI: 10.7270/Q26D5TSR
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50139513 (4-Methyl-N-{4-[3-(2-pyrrolidin-1-yl-ethyl)-1H-indo...) Show SMILES Cc1ccc(cc1)C(=S)NN1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1 |c:14| Show InChI InChI=1S/C27H32N4S/c1-20-4-6-22(7-5-20)27(32)29-31-16-11-21(12-17-31)23-8-9-26-25(18-23)24(19-28-26)10-15-30-13-2-3-14-30/h4-9,11,18-19,28H,2-3,10,12-17H2,1H3,(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc Curated by ChEMBL					Assay Description Binding affinity of the compound was evaluated at the cloned human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 14: 727-9 (2004) BindingDB Entry DOI: 10.7270/Q2M32V5K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50005835 ((3-[2-(dimethylamino)ethyl]-1H-indol-5-yl)-N-methy...) Show SMILES CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1 Show InChI InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents	DrugBank PubMed	7.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards cloned human 5-hydroxytryptamine 1B receptor				Bioorg Med Chem Lett 13: 3419-21 (2003) BindingDB Entry DOI: 10.7270/Q2PZ587T
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50005835 ((3-[2-(dimethylamino)ethyl]-1H-indol-5-yl)-N-methy...) Show SMILES CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1 Show InChI InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents	DrugBank PubMed	7.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc Curated by ChEMBL					Assay Description Binding affinity of the compound was evaluated at the cloned human 5-hydroxytryptamine 1B receptor				Bioorg Med Chem Lett 14: 727-9 (2004) BindingDB Entry DOI: 10.7270/Q2M32V5K
					More data for this Ligand-Target Pair

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