Compile Data Set for Download or QSAR

Found 1717 hits with Last Name = 'zonzini' and Initial = 'l'   

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
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50417035 (CHEMBL1257993) Show SMILES Fc1ccccc1-c1cnc(NC[C@H]2CC[C@@]3(CN(C(=O)O3)c3ccccn3)CC2)cn1 |r,wU:13.13,wD:16.22,(15.52,-7.53,;14.76,-6.18,;13.23,-6.17,;12.47,-4.82,;13.26,-3.49,;14.8,-3.52,;15.55,-4.86,;17.09,-4.88,;17.88,-3.56,;19.42,-3.58,;20.17,-4.93,;21.71,-4.96,;22.45,-6.3,;23.99,-6.33,;24.79,-5.01,;26.33,-5.03,;27.07,-6.38,;28.2,-5.34,;29.54,-6.12,;29.22,-7.62,;30.25,-8.77,;27.69,-7.78,;30.95,-5.5,;32.19,-6.4,;33.6,-5.78,;33.76,-4.25,;32.51,-3.34,;31.11,-3.97,;26.27,-7.7,;24.74,-7.67,;19.38,-6.25,;17.85,-6.23,)| Show InChI InChI=1S/C24H24FN5O2/c25-19-6-2-1-5-18(19)20-14-29-21(15-27-20)28-13-17-8-10-24(11-9-17)16-30(23(31)32-24)22-7-3-4-12-26-22/h1-7,12,14-15,17H,8-11,13,16H2,(H,28,29)/t17-,24-	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline SpA Curated by ChEMBL					Assay Description Antagonist activity at human NPY Y5 receptor				Bioorg Med Chem Lett 20: 6103-7 (2010) Article DOI: 10.1016/j.bmcl.2010.08.041 BindingDB Entry DOI: 10.7270/Q2JM2BWB
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50417033 (CHEMBL1258111) Show SMILES Fc1ccccc1-n1ccc(NC[C@H]2CC[C@@]3(CN(C(=O)O3)c3ccccn3)CC2)n1 |r,wU:13.13,wD:16.22,(15.91,-.57,;14.51,.08,;13.26,-.81,;11.85,-.16,;11.72,1.37,;12.98,2.26,;14.38,1.6,;15.63,2.49,;15.65,4.03,;17.12,4.48,;18.01,3.23,;19.55,3.2,;20.3,1.86,;21.84,1.83,;22.63,3.15,;24.17,3.13,;24.91,1.78,;26.05,2.82,;27.39,2.04,;27.06,.54,;28.09,-.61,;25.53,.38,;28.79,2.66,;30.04,1.75,;31.44,2.38,;31.61,3.91,;30.35,4.82,;28.95,4.19,;24.12,.46,;22.59,.49,;17.08,1.99,)| Show InChI InChI=1S/C23H24FN5O2/c24-18-5-1-2-6-19(18)29-14-10-20(27-29)26-15-17-8-11-23(12-9-17)16-28(22(30)31-23)21-7-3-4-13-25-21/h1-7,10,13-14,17H,8-9,11-12,15-16H2,(H,26,27)/t17-,23-	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.0316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline SpA Curated by ChEMBL					Assay Description Antagonist activity at human NPY Y5 receptor				Bioorg Med Chem Lett 20: 6103-7 (2010) Article DOI: 10.1016/j.bmcl.2010.08.041 BindingDB Entry DOI: 10.7270/Q2JM2BWB
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50417056 (CHEMBL1258225) Show SMILES Fc1ccccc1-n1cc(NC[C@H]2CC[C@@]3(CN(C(=O)O3)c3cncnc3)CC2)cn1 |r,wU:12.12,wD:15.21,(-5.79,-9.02,;-7.19,-8.37,;-8.44,-9.26,;-9.85,-8.61,;-9.98,-7.07,;-8.73,-6.19,;-7.33,-6.84,;-6.08,-5.96,;-4.62,-6.46,;-3.69,-5.22,;-2.15,-5.25,;-1.4,-6.59,;.14,-6.62,;.94,-5.3,;2.48,-5.31,;3.21,-6.67,;4.35,-5.63,;5.69,-6.41,;5.37,-7.91,;6.4,-9.06,;3.84,-8.08,;7.1,-5.79,;8.34,-6.69,;9.75,-6.07,;9.91,-4.54,;8.66,-3.63,;7.26,-4.26,;2.42,-7.99,;.89,-7.96,;-4.58,-3.96,;-6.05,-4.42,)| Show InChI InChI=1S/C22H23FN6O2/c23-19-3-1-2-4-20(19)29-13-17(10-27-29)26-9-16-5-7-22(8-6-16)14-28(21(30)31-22)18-11-24-15-25-12-18/h1-4,10-13,15-16,26H,5-9,14H2/t16-,22-	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline SpA Curated by ChEMBL					Assay Description Antagonist activity at human NPY Y5 receptor				Bioorg Med Chem Lett 20: 6103-7 (2010) Article DOI: 10.1016/j.bmcl.2010.08.041 BindingDB Entry DOI: 10.7270/Q2JM2BWB
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50408664 (GR-205171 | VOFOPITANT) Show SMILES COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)-n1nnnc1C(F)(F)F Show InChI InChI=1S/C21H23F3N6O/c1-31-18-10-9-16(30-20(21(22,23)24)27-28-29-30)12-15(18)13-26-17-8-5-11-25-19(17)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,17,19,25-26H,5,8,11,13H2,1H3/t17-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	0.0501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]substance P from human recombinant NK1 receptor expressed in CHO cells				J Med Chem 52: 3238-47 (2009) Article DOI: 10.1021/jm900023b BindingDB Entry DOI: 10.7270/Q2BP0425
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50413549 (CHEMBL513715) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3NC(=O)COc23)CC1 Show InChI InChI=1S/C24H26N4O2/c1-17-8-9-19-20(25-17)5-3-7-22(19)28-14-12-27(13-15-28)11-10-18-4-2-6-21-24(18)30-16-23(29)26-21/h2-9H,10-16H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT1D receptor expressed in CHO cells assessed as inhibition of GTPgammaS binding by scintillation proximity assay				Bioorg Med Chem Lett 20: 7092-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.085 BindingDB Entry DOI: 10.7270/Q2MC919V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50413549 (CHEMBL513715) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3NC(=O)COc23)CC1 Show InChI InChI=1S/C24H26N4O2/c1-17-8-9-19-20(25-17)5-3-7-22(19)28-14-12-27(13-15-28)11-10-18-4-2-6-21-24(18)30-16-23(29)26-21/h2-9H,10-16H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5HT1D assessed as GTPgammaS binding by scintillation proximity assay in presence of 5-HT				Bioorg Med Chem Lett 19: 2338-42 (2009) Article DOI: 10.1016/j.bmcl.2009.02.056 BindingDB Entry DOI: 10.7270/Q2J967MX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50412441 (CHEMBL490417 | SB-744185) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1 Show InChI InChI=1S/C24H26N4O2/c1-17-5-7-19-20(25-17)3-2-4-22(19)28-13-11-27(12-14-28)10-9-18-6-8-23-21(15-18)26-24(29)16-30-23/h2-8,15H,9-14,16H2,1H3,(H,26,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5HT1A assessed as GTPgammaS binding by scintillation proximity assay in presence of 5-HT				Bioorg Med Chem Lett 19: 2338-42 (2009) Article DOI: 10.1016/j.bmcl.2009.02.056 BindingDB Entry DOI: 10.7270/Q2J967MX
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50417051 (CHEMBL1258787) Show SMILES Cc1ccccc1-c1ccc(NC[C@H]2CC[C@@]3(CN(C(=O)O3)c3cccnn3)CC2)nn1 |r,wU:13.13,wD:16.22,(17.45,-6.84,;16.7,-5.5,;15.16,-5.48,;14.41,-4.13,;15.2,-2.81,;16.74,-2.83,;17.48,-4.18,;19.03,-4.2,;19.78,-5.55,;21.32,-5.57,;22.1,-4.25,;23.64,-4.27,;24.39,-5.62,;25.93,-5.64,;26.72,-4.32,;28.26,-4.34,;29,-5.69,;30.14,-4.66,;31.48,-5.43,;31.16,-6.94,;32.19,-8.08,;29.62,-7.1,;32.88,-4.81,;34.13,-5.72,;35.54,-5.1,;35.7,-3.56,;34.44,-2.66,;33.04,-3.29,;28.21,-7.01,;26.68,-6.98,;21.36,-2.9,;19.82,-2.87,)| Show InChI InChI=1S/C24H26N6O2/c1-17-5-2-3-6-19(17)20-8-9-21(28-27-20)25-15-18-10-12-24(13-11-18)16-30(23(31)32-24)22-7-4-14-26-29-22/h2-9,14,18H,10-13,15-16H2,1H3,(H,25,28)/t18-,24-	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline SpA Curated by ChEMBL					Assay Description Antagonist activity at human NPY Y5 receptor				Bioorg Med Chem Lett 20: 6103-7 (2010) Article DOI: 10.1016/j.bmcl.2010.08.041 BindingDB Entry DOI: 10.7270/Q2JM2BWB
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50417045 (CHEMBL1258341) Show SMILES Fc1ccccc1-n1cc(NC[C@H]2CC[C@@]3(CN(C(=O)O3)c3cnccn3)CC2)cn1 |r,wU:12.12,wD:15.21,(-6.54,-17.19,;-7.94,-16.54,;-9.19,-17.43,;-10.59,-16.78,;-10.73,-15.24,;-9.48,-14.36,;-8.08,-15.01,;-6.82,-14.13,;-5.37,-14.63,;-4.44,-13.39,;-2.9,-13.41,;-2.15,-14.76,;-.61,-14.79,;.19,-13.47,;1.73,-13.48,;2.46,-14.84,;3.6,-13.8,;4.94,-14.58,;4.62,-16.08,;5.64,-17.23,;3.09,-16.24,;6.35,-13.96,;7.58,-14.86,;8.99,-14.24,;9.15,-12.71,;7.91,-11.8,;6.5,-12.43,;1.67,-16.16,;.14,-16.13,;-5.33,-12.13,;-6.8,-12.59,)| Show InChI InChI=1S/C22H23FN6O2/c23-18-3-1-2-4-19(18)29-14-17(12-27-29)26-11-16-5-7-22(8-6-16)15-28(21(30)31-22)20-13-24-9-10-25-20/h1-4,9-10,12-14,16,26H,5-8,11,15H2/t16-,22-	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline SpA Curated by ChEMBL					Assay Description Antagonist activity at human NPY Y5 receptor				Bioorg Med Chem Lett 20: 6103-7 (2010) Article DOI: 10.1016/j.bmcl.2010.08.041 BindingDB Entry DOI: 10.7270/Q2JM2BWB
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50417036 (CHEMBL1257992) Show SMILES Fc1ccccc1-c1ccc(NC[C@H]2CC[C@@]3(CN(C(=O)O3)c3ccccn3)CC2)nn1 |r,wU:13.13,wD:16.22,(-7.93,-14.34,;-8.69,-13,;-10.22,-12.98,;-10.98,-11.63,;-10.19,-10.31,;-8.65,-10.33,;-7.9,-11.68,;-6.36,-11.69,;-5.6,-13.04,;-4.07,-13.06,;-3.28,-11.75,;-1.74,-11.77,;-1,-13.12,;.54,-13.14,;1.34,-11.82,;2.88,-11.84,;3.62,-13.19,;4.75,-12.16,;6.09,-12.93,;5.77,-14.44,;6.8,-15.58,;4.24,-14.6,;7.5,-12.31,;8.74,-13.22,;10.15,-12.59,;10.31,-11.06,;9.06,-10.15,;7.66,-10.78,;2.82,-14.51,;1.29,-14.48,;-4.03,-10.4,;-5.57,-10.37,)| Show InChI InChI=1S/C24H24FN5O2/c25-19-6-2-1-5-18(19)20-8-9-21(29-28-20)27-15-17-10-12-24(13-11-17)16-30(23(31)32-24)22-7-3-4-14-26-22/h1-9,14,17H,10-13,15-16H2,(H,27,29)/t17-,24-	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline SpA Curated by ChEMBL					Assay Description Antagonist activity at human NPY Y5 receptor				Bioorg Med Chem Lett 20: 6103-7 (2010) Article DOI: 10.1016/j.bmcl.2010.08.041 BindingDB Entry DOI: 10.7270/Q2JM2BWB
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50192240 (CHEMBL3941818 | US10239870, Example 278) Show SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccc(cc1)-c1ncco1 |r| Show InChI InChI=1S/C28H28F3N5OS/c1-35-24(20-3-5-21(6-4-20)25-32-12-15-37-25)33-34-26(35)38-16-2-13-36-14-11-27(18-36)17-23(27)19-7-9-22(10-8-19)28(29,30)31/h3-10,12,15,23H,2,11,13-14,16-18H2,1H3/t23-,27+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0676	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aptuit s.r.l. Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counting				J Med Chem 59: 8549-76 (2016) Article DOI: 10.1021/acs.jmedchem.6b00972 BindingDB Entry DOI: 10.7270/Q2SQ9298
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50192240 (CHEMBL3941818 | US10239870, Example 278) Show SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccc(cc1)-c1ncco1 |r| Show InChI InChI=1S/C28H28F3N5OS/c1-35-24(20-3-5-21(6-4-20)25-32-12-15-37-25)33-34-26(35)38-16-2-13-36-14-11-27(18-36)17-23(27)19-7-9-22(10-8-19)28(29,30)31/h3-10,12,15,23H,2,11,13-14,16-18H2,1H3/t23-,27+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aptuit s.r.l. Curated by ChEMBL					Assay Description Antagonist activity at human dopamine D3 receptor expressed in CHO cell membranes after 90 mins in presence of quinelorane by [35S]-GTPgammaS binding...				J Med Chem 59: 8549-76 (2016) Article DOI: 10.1021/acs.jmedchem.6b00972 BindingDB Entry DOI: 10.7270/Q2SQ9298
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50192240 (CHEMBL3941818 | US10239870, Example 278) Show SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccc(cc1)-c1ncco1 |r| Show InChI InChI=1S/C28H28F3N5OS/c1-35-24(20-3-5-21(6-4-20)25-32-12-15-37-25)33-34-26(35)38-16-2-13-36-14-11-27(18-36)17-23(27)19-7-9-22(10-8-19)28(29,30)31/h3-10,12,15,23H,2,11,13-14,16-18H2,1H3/t23-,27+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aptuit s.r.l. Curated by ChEMBL					Assay Description Antagonist activity at human dopamine D3 receptor expressed in CHO cell membranes after 90 mins in presence of quinelorane by [35S]-GTPgammaS binding...				J Med Chem 59: 8549-76 (2016) Article DOI: 10.1021/acs.jmedchem.6b00972 BindingDB Entry DOI: 10.7270/Q2SQ9298
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50413077 (CHEMBL522257) Show SMILES CN1C(=O)COc2ccc(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cc12 Show InChI InChI=1S/C25H28N4O2/c1-18-6-8-20-21(26-18)4-3-5-22(20)29-14-12-28(13-15-29)11-10-19-7-9-24-23(16-19)27(2)25(30)17-31-24/h3-9,16H,10-15,17H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5HT1A assessed as GTPgammaS binding by scintillation proximity assay in presence of 5-HT				Bioorg Med Chem Lett 19: 2338-42 (2009) Article DOI: 10.1016/j.bmcl.2009.02.056 BindingDB Entry DOI: 10.7270/Q2J967MX
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50417032 (CHEMBL1258110) Show SMILES O=C1O[C@@]2(CN1c1ccccn1)CC[C@H](CNc1nc(cs1)-c1ccccn1)CC2 |r,wU:14.16,wD:3.2,(5.76,.15,;4.73,1.3,;3.2,1.14,;2.57,2.54,;3.71,3.58,;5.05,2.8,;6.45,3.43,;7.7,2.52,;9.11,3.14,;9.27,4.67,;8.02,5.58,;6.61,4.95,;1.83,3.89,;.29,3.91,;-.5,2.59,;-2.04,2.62,;-2.79,3.96,;-4.33,3.99,;-5.25,2.75,;-6.71,3.25,;-6.69,4.79,;-5.21,5.24,;-7.96,2.37,;-7.82,.84,;-9.08,-.05,;-10.48,.6,;-10.62,2.14,;-9.36,3.02,;.25,1.25,;1.78,1.22,)| Show InChI InChI=1S/C22H23N5O2S/c28-21-27(19-6-2-4-12-24-19)15-22(29-21)9-7-16(8-10-22)13-25-20-26-18(14-30-20)17-5-1-3-11-23-17/h1-6,11-12,14,16H,7-10,13,15H2,(H,25,26)/t16-,22-	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.0794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline SpA Curated by ChEMBL					Assay Description Antagonist activity at human NPY Y5 receptor				Bioorg Med Chem Lett 20: 6103-7 (2010) Article DOI: 10.1016/j.bmcl.2010.08.041 BindingDB Entry DOI: 10.7270/Q2JM2BWB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50417409 (CHEMBL1290487) Show SMILES CN1C(=O)CCc2c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc12 Show InChI InChI=1S/C26H30N4O/c1-19-9-10-22-23(27-19)6-4-8-25(22)30-17-15-29(16-18-30)14-13-20-5-3-7-24-21(20)11-12-26(31)28(24)2/h3-10H,11-18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT1D receptor expressed in CHO cells assessed as inhibition of GTPgammaS binding by scintillation proximity assay				Bioorg Med Chem Lett 20: 7092-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.085 BindingDB Entry DOI: 10.7270/Q2MC919V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50413560 (CHEMBL469374) Show SMILES CN1C(=O)COc2c(CCN3CCN(CC3)c3cc(F)cc4nc(C)ccc34)cccc12 Show InChI InChI=1S/C25H27FN4O2/c1-17-6-7-20-21(27-17)14-19(26)15-23(20)30-12-10-29(11-13-30)9-8-18-4-3-5-22-25(18)32-16-24(31)28(22)2/h3-7,14-15H,8-13,16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5HT1D assessed as GTPgammaS binding by scintillation proximity assay in presence of 5-HT				Bioorg Med Chem Lett 19: 2338-42 (2009) Article DOI: 10.1016/j.bmcl.2009.02.056 BindingDB Entry DOI: 10.7270/Q2J967MX
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50417977 (CHEMBL1672044) Show SMILES CN(C)[C@H]1CCN([C@H](C1)c1ccc(F)cc1C)C(=O)N(C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C25H28F7N3O/c1-15-9-19(26)5-6-21(15)22-13-20(33(2)3)7-8-35(22)23(36)34(4)14-16-10-17(24(27,28)29)12-18(11-16)25(30,31)32/h5-6,9-12,20,22H,7-8,13-14H2,1-4H3/t20-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]SP from human NK1 receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 54: 1071-9 (2011) Article DOI: 10.1021/jm1013264 BindingDB Entry DOI: 10.7270/Q2W66M1X
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50417978 (CHEMBL1672047) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)N1CC[C@@H](C[C@@H]1c1ccc(F)cc1C)N1CCC1 |r| Show InChI InChI=1S/C26H28F7N3O/c1-16-10-20(27)4-5-22(16)23-14-21(35-7-3-8-35)6-9-36(23)24(37)34(2)15-17-11-18(25(28,29)30)13-19(12-17)26(31,32)33/h4-5,10-13,21,23H,3,6-9,14-15H2,1-2H3/t21-,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0813	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]SP from human NK1 receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 54: 1071-9 (2011) Article DOI: 10.1021/jm1013264 BindingDB Entry DOI: 10.7270/Q2W66M1X
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50413555 (CHEMBL469568) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3N(C4CC4)C(=O)COc23)CC1 Show InChI InChI=1S/C27H30N4O2/c1-19-8-11-22-23(28-19)5-3-6-24(22)30-16-14-29(15-17-30)13-12-20-4-2-7-25-27(20)33-18-26(32)31(25)21-9-10-21/h2-8,11,21H,9-10,12-18H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5HT1A assessed as GTPgammaS binding by scintillation proximity assay in presence of 5-HT				Bioorg Med Chem Lett 19: 2338-42 (2009) Article DOI: 10.1016/j.bmcl.2009.02.056 BindingDB Entry DOI: 10.7270/Q2J967MX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50413077 (CHEMBL522257) Show SMILES CN1C(=O)COc2ccc(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cc12 Show InChI InChI=1S/C25H28N4O2/c1-18-6-8-20-21(26-18)4-3-5-22(20)29-14-12-28(13-15-29)11-10-19-7-9-24-23(16-19)27(2)25(30)17-31-24/h3-9,16H,10-15,17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5HT1D assessed as GTPgammaS binding by scintillation proximity assay in presence of 5-HT				Bioorg Med Chem Lett 19: 2338-42 (2009) Article DOI: 10.1016/j.bmcl.2009.02.056 BindingDB Entry DOI: 10.7270/Q2J967MX
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50417050 (CHEMBL1258674) Show SMILES Fc1cc(F)cc(c1)-c1ccc(NC[C@H]2CC[C@@]3(CN(C(=O)O3)c3cccnn3)CC2)nn1 |r,wU:14.14,wD:17.23,(-9.07,-1.62,;-8.32,-2.96,;-9.11,-4.29,;-8.36,-5.64,;-9.14,-6.96,;-6.82,-5.65,;-6.04,-4.34,;-6.78,-2.99,;-4.49,-4.35,;-3.74,-5.7,;-2.2,-5.72,;-1.42,-4.4,;.12,-4.43,;.87,-5.77,;2.41,-5.8,;3.2,-4.48,;4.74,-4.5,;5.48,-5.85,;6.62,-4.81,;7.96,-5.59,;7.64,-7.09,;8.67,-8.24,;6.1,-7.25,;9.36,-4.97,;10.61,-5.88,;12.02,-5.25,;12.18,-3.72,;10.92,-2.81,;9.52,-3.44,;4.69,-7.17,;3.16,-7.14,;-2.16,-3.06,;-3.7,-3.03,)| Show InChI InChI=1S/C23H22F2N6O2/c24-17-10-16(11-18(25)12-17)19-3-4-20(29-28-19)26-13-15-5-7-23(8-6-15)14-31(22(32)33-23)21-2-1-9-27-30-21/h1-4,9-12,15H,5-8,13-14H2,(H,26,29)/t15-,23-	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline SpA Curated by ChEMBL					Assay Description Antagonist activity at human NPY Y5 receptor				Bioorg Med Chem Lett 20: 6103-7 (2010) Article DOI: 10.1016/j.bmcl.2010.08.041 BindingDB Entry DOI: 10.7270/Q2JM2BWB
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50417046 (CHEMBL1258453) Show SMILES Fc1ccccc1-n1cc(NC[C@H]2CC[C@@]3(CN(C(=O)O3)c3cccnn3)CC2)cn1 |r,wU:12.12,wD:15.21,(16.1,-16.72,;14.7,-16.07,;13.45,-16.97,;12.04,-16.31,;11.91,-14.78,;13.16,-13.9,;14.56,-14.55,;15.81,-13.67,;17.27,-14.16,;18.2,-12.92,;19.74,-12.95,;20.49,-14.3,;22.03,-14.32,;22.82,-13,;24.36,-13.02,;25.1,-14.37,;26.24,-13.33,;27.58,-14.11,;27.26,-15.62,;28.28,-16.76,;25.73,-15.78,;28.99,-13.49,;30.23,-14.4,;31.63,-13.78,;31.8,-12.24,;30.55,-11.33,;29.15,-11.97,;24.31,-15.69,;22.78,-15.66,;17.31,-11.67,;15.84,-12.13,)| Show InChI InChI=1S/C22H23FN6O2/c23-18-4-1-2-5-19(18)29-14-17(13-26-29)24-12-16-7-9-22(10-8-16)15-28(21(30)31-22)20-6-3-11-25-27-20/h1-6,11,13-14,16,24H,7-10,12,15H2/t16-,22-	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline SpA Curated by ChEMBL					Assay Description Antagonist activity at human NPY Y5 receptor				Bioorg Med Chem Lett 20: 6103-7 (2010) Article DOI: 10.1016/j.bmcl.2010.08.041 BindingDB Entry DOI: 10.7270/Q2JM2BWB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50417420 (CHEMBL1290486) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3NC(=O)CCc23)CC1 Show InChI InChI=1S/C25H28N4O/c1-18-8-9-21-23(26-18)6-3-7-24(21)29-16-14-28(15-17-29)13-12-19-4-2-5-22-20(19)10-11-25(30)27-22/h2-9H,10-17H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT1D receptor expressed in CHO cells assessed as inhibition of GTPgammaS binding by scintillation proximity assay				Bioorg Med Chem Lett 20: 7092-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.085 BindingDB Entry DOI: 10.7270/Q2MC919V
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50417042 (CHEMBL1257636) Show SMILES Fc1ccccc1-n1cc(NC[C@H]2CC[C@@]3(CN(C(=O)O3)c3cccnc3)CC2)cn1 |r,wU:12.12,wD:15.21,(-7.01,-.66,;-8.41,-.01,;-9.65,-.9,;-11.06,-.25,;-11.21,1.29,;-9.94,2.17,;-8.54,1.52,;-7.29,2.4,;-5.83,1.9,;-4.9,3.14,;-3.36,3.12,;-2.62,1.77,;-1.08,1.74,;-.28,3.07,;1.26,3.05,;2,1.7,;3.14,2.73,;4.48,1.96,;4.16,.45,;5.18,-.7,;2.62,.29,;5.88,2.57,;7.12,1.67,;8.53,2.29,;8.69,3.82,;7.44,4.73,;6.04,4.1,;1.21,.37,;-.33,.41,;-5.79,4.4,;-7.27,3.94,)| Show InChI InChI=1S/C23H24FN5O2/c24-20-5-1-2-6-21(20)29-15-18(13-27-29)26-12-17-7-9-23(10-8-17)16-28(22(30)31-23)19-4-3-11-25-14-19/h1-6,11,13-15,17,26H,7-10,12,16H2/t17-,23-	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline SpA Curated by ChEMBL					Assay Description Antagonist activity at human NPY Y5 receptor				Bioorg Med Chem Lett 20: 6103-7 (2010) Article DOI: 10.1016/j.bmcl.2010.08.041 BindingDB Entry DOI: 10.7270/Q2JM2BWB
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50417044 (CHEMBL1258340) Show SMILES Fc1ccccc1-n1cc(NC[C@H]2CC[C@@]3(CN(C(=O)O3)c3cccnc3F)CC2)cn1 |r,wU:12.12,wD:15.21,(17.14,-9.3,;15.74,-8.65,;14.5,-9.54,;13.09,-8.89,;12.95,-7.35,;14.21,-6.47,;15.61,-7.12,;16.86,-6.24,;18.32,-6.74,;19.25,-5.5,;20.79,-5.52,;21.54,-6.87,;23.08,-6.9,;23.87,-5.57,;25.41,-5.59,;26.15,-6.95,;27.29,-5.92,;28.63,-6.69,;28.31,-8.19,;29.34,-9.34,;26.78,-8.35,;30.04,-6.07,;31.28,-6.97,;32.69,-6.35,;32.85,-4.82,;31.6,-3.91,;30.2,-4.54,;28.95,-3.63,;25.36,-8.27,;23.83,-8.24,;18.36,-4.24,;16.89,-4.7,)| Show InChI InChI=1S/C23H23F2N5O2/c24-18-4-1-2-5-19(18)30-14-17(13-28-30)27-12-16-7-9-23(10-8-16)15-29(22(31)32-23)20-6-3-11-26-21(20)25/h1-6,11,13-14,16,27H,7-10,12,15H2/t16-,23-	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline SpA Curated by ChEMBL					Assay Description Antagonist activity at human NPY Y5 receptor				Bioorg Med Chem Lett 20: 6103-7 (2010) Article DOI: 10.1016/j.bmcl.2010.08.041 BindingDB Entry DOI: 10.7270/Q2JM2BWB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50413550 (CHEMBL469345) Show SMILES CN1C(=O)COc2c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc12 Show InChI InChI=1S/C25H28N4O2/c1-18-9-10-20-21(26-18)6-4-7-22(20)29-15-13-28(14-16-29)12-11-19-5-3-8-23-25(19)31-17-24(30)27(23)2/h3-10H,11-17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT1D receptor expressed in CHO cells assessed as inhibition of GTPgammaS binding by scintillation proximity assay				Bioorg Med Chem Lett 20: 7092-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.085 BindingDB Entry DOI: 10.7270/Q2MC919V
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50417973 (CHEMBL1672053) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)N1CC[C@@H](C[C@@H]1c1ccc(F)cc1C)N1CCN(CC1)C(C)=O |r| Show InChI InChI=1S/C29H33F7N4O2/c1-18-12-23(30)4-5-25(18)26-16-24(39-10-8-38(9-11-39)19(2)41)6-7-40(26)27(42)37(3)17-20-13-21(28(31,32)33)15-22(14-20)29(34,35)36/h4-5,12-15,24,26H,6-11,16-17H2,1-3H3/t24-,26+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.117	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]SP from human NK1 receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 54: 1071-9 (2011) Article DOI: 10.1021/jm1013264 BindingDB Entry DOI: 10.7270/Q2W66M1X
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50336575 (CHEMBL1672054 | cis-(1'-Acetyl-N-{(1R)-1-[3,5-bis(...) Show SMILES C[C@@H](N(C)C(=O)N1CC[C@@H](C[C@@H]1c1ccc(F)cc1C)N1CCN(CC1)C(C)=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C30H35F7N4O2/c1-18-13-24(31)5-6-26(18)27-17-25(40-11-9-39(10-12-40)20(3)42)7-8-41(27)28(43)38(4)19(2)21-14-22(29(32,33)34)16-23(15-21)30(35,36)37/h5-6,13-16,19,25,27H,7-12,17H2,1-4H3/t19-,25+,27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]GR205171 from human NK1 receptor in cortex homogenate by liquid scintillation counting				J Med Chem 54: 1071-9 (2011) Article DOI: 10.1021/jm1013264 BindingDB Entry DOI: 10.7270/Q2W66M1X
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50417041 (CHEMBL1257637) Show SMILES O=C1O[C@@]2(CN1c1ccccn1)CC[C@H](CNc1ccc(cn1)-c1nccs1)CC2 |r,wU:14.16,wD:3.2,(30.13,-31.33,;29.1,-30.19,;27.57,-30.35,;26.95,-28.94,;28.09,-27.91,;29.43,-28.68,;30.83,-28.06,;32.08,-28.97,;33.48,-28.34,;33.65,-26.81,;32.39,-25.9,;30.99,-26.53,;26.21,-27.59,;24.67,-27.57,;23.88,-28.89,;22.34,-28.87,;21.59,-27.52,;20.05,-27.5,;19.26,-28.81,;17.73,-28.79,;16.97,-27.44,;17.77,-26.12,;19.3,-26.15,;15.43,-27.43,;14.51,-28.66,;13.05,-28.17,;13.06,-26.63,;14.53,-26.17,;24.62,-30.23,;26.16,-30.26,)| Show InChI InChI=1S/C22H23N5O2S/c28-21-27(19-3-1-2-10-23-19)15-22(29-21)8-6-16(7-9-22)13-25-18-5-4-17(14-26-18)20-24-11-12-30-20/h1-5,10-12,14,16H,6-9,13,15H2,(H,25,26)/t16-,22-	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline SpA Curated by ChEMBL					Assay Description Antagonist activity at human NPY Y5 receptor				Bioorg Med Chem Lett 20: 6103-7 (2010) Article DOI: 10.1016/j.bmcl.2010.08.041 BindingDB Entry DOI: 10.7270/Q2JM2BWB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50417411 (CHEMBL1290715) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3[nH]c(=O)ccc23)CC1 Show InChI InChI=1S/C25H26N4O/c1-18-8-9-21-23(26-18)6-3-7-24(21)29-16-14-28(15-17-29)13-12-19-4-2-5-22-20(19)10-11-25(30)27-22/h2-11H,12-17H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT1D receptor expressed in CHO cells assessed as inhibition of GTPgammaS binding by scintillation proximity assay				Bioorg Med Chem Lett 20: 7092-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.085 BindingDB Entry DOI: 10.7270/Q2MC919V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50417424 (CHEMBL1289394) Show SMILES C[C@@H]1CN(CCN1CCc1cccc2n(C)c(=O)ccc12)c1cc(F)cc2nc(C)ccc12 |r| Show InChI InChI=1S/C27H29FN4O/c1-18-7-8-23-24(29-18)15-21(28)16-26(23)32-14-13-31(19(2)17-32)12-11-20-5-4-6-25-22(20)9-10-27(33)30(25)3/h4-10,15-16,19H,11-14,17H2,1-3H3/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT1D receptor expressed in CHO cells assessed as inhibition of GTPgammaS binding by scintillation proximity assay				Bioorg Med Chem Lett 20: 7092-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.085 BindingDB Entry DOI: 10.7270/Q2MC919V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50413086 (CHEMBL484260) Show SMILES Cc1cc(N2CCN(CCc3ccc4OCC(=O)Nc4c3)CC2)c2ccc(C)nc2c1 Show InChI InChI=1S/C25H28N4O2/c1-17-13-21-20(5-3-18(2)26-21)23(14-17)29-11-9-28(10-12-29)8-7-19-4-6-24-22(15-19)27-25(30)16-31-24/h3-6,13-15H,7-12,16H2,1-2H3,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]WAY-100635 from human 5HT1A receptor expressed in CHO cells				Bioorg Med Chem Lett 18: 5653-6 (2008) Article DOI: 10.1016/j.bmcl.2008.08.084 BindingDB Entry DOI: 10.7270/Q2BR8TC6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50413553 (CHEMBL472290) Show SMILES CCN1C(=O)COc2c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc12 Show InChI InChI=1S/C26H30N4O2/c1-3-30-24-9-4-6-20(26(24)32-18-25(30)31)12-13-28-14-16-29(17-15-28)23-8-5-7-22-21(23)11-10-19(2)27-22/h4-11H,3,12-18H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5HT1A assessed as GTPgammaS binding by scintillation proximity assay in presence of 5-HT				Bioorg Med Chem Lett 19: 2338-42 (2009) Article DOI: 10.1016/j.bmcl.2009.02.056 BindingDB Entry DOI: 10.7270/Q2J967MX
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM50308250 ((1R,5R,6R)-1-(3,4-dichlorophenyl)-6-(ethoxymethyl)...) Show SMILES CCOC[C@@H]1[C@H]2CNC[C@@]12c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C14H17Cl2NO/c1-2-18-7-11-10-6-17-8-14(10,11)9-3-4-12(15)13(16)5-9/h3-5,10-11,17H,2,6-8H2,1H3/t10-,11-,14+/m1/s1	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.135	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicine Research Centre Curated by ChEMBL					Assay Description Displacement of [N-methyl-3H]nisoxetine from rat hippocampus NET by filtration binding assay				J Med Chem 53: 2534-51 (2010) Article DOI: 10.1021/jm901818u BindingDB Entry DOI: 10.7270/Q2ST7PX2
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50417972 (CHEMBL1672051) Show SMILES C[C@@H](N(C)C(=O)N1CC[C@@H](C[C@@H]1c1ccc(F)cc1C)N1CCCC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C28H32F7N3O/c1-17-12-22(29)6-7-24(17)25-16-23(37-9-4-5-10-37)8-11-38(25)26(39)36(3)18(2)19-13-20(27(30,31)32)15-21(14-19)28(33,34)35/h6-7,12-15,18,23,25H,4-5,8-11,16H2,1-3H3/t18-,23+,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.141	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]SP from human NK1 receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 54: 1071-9 (2011) Article DOI: 10.1021/jm1013264 BindingDB Entry DOI: 10.7270/Q2W66M1X
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50412441 (CHEMBL490417 | SB-744185) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1 Show InChI InChI=1S/C24H26N4O2/c1-17-5-7-19-20(25-17)3-2-4-22(19)28-13-11-27(12-14-28)10-9-18-6-8-23-21(15-18)26-24(29)16-30-23/h2-8,15H,9-14,16H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]5HT from human 5HT1D receptor expressed in CHO cells				Bioorg Med Chem Lett 18: 5653-6 (2008) Article DOI: 10.1016/j.bmcl.2008.08.084 BindingDB Entry DOI: 10.7270/Q2BR8TC6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50413550 (CHEMBL469345) Show SMILES CN1C(=O)COc2c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc12 Show InChI InChI=1S/C25H28N4O2/c1-18-9-10-20-21(26-18)6-4-7-22(20)29-15-13-28(14-16-29)12-11-19-5-3-8-23-25(19)31-17-24(30)27(23)2/h3-10H,11-17H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5HT1A assessed as GTPgammaS binding by scintillation proximity assay in presence of 5-HT				Bioorg Med Chem Lett 19: 2338-42 (2009) Article DOI: 10.1016/j.bmcl.2009.02.056 BindingDB Entry DOI: 10.7270/Q2J967MX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50413555 (CHEMBL469568) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3N(C4CC4)C(=O)COc23)CC1 Show InChI InChI=1S/C27H30N4O2/c1-19-8-11-22-23(28-19)5-3-6-24(22)30-16-14-29(15-17-30)13-12-20-4-2-7-25-27(20)33-18-26(32)31(25)21-9-10-21/h2-8,11,21H,9-10,12-18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5HT1D assessed as GTPgammaS binding by scintillation proximity assay in presence of 5-HT				Bioorg Med Chem Lett 19: 2338-42 (2009) Article DOI: 10.1016/j.bmcl.2009.02.056 BindingDB Entry DOI: 10.7270/Q2J967MX
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50413083 (CHEMBL484059) Show SMILES O=C1COc2ccc(CCN3CCN(CC3)c3cccc4nc(ccc34)-c3ccccc3)cc2N1 Show InChI InChI=1S/C29H28N4O2/c34-29-20-35-28-12-9-21(19-26(28)31-29)13-14-32-15-17-33(18-16-32)27-8-4-7-25-23(27)10-11-24(30-25)22-5-2-1-3-6-22/h1-12,19H,13-18,20H2,(H,31,34)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from human SerT expressed pig LLCPK cells				Bioorg Med Chem Lett 18: 5653-6 (2008) Article DOI: 10.1016/j.bmcl.2008.08.084 BindingDB Entry DOI: 10.7270/Q2BR8TC6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50413078 (CHEMBL491839) Show SMILES CC1(C)Cc2cccc(N3CCN(CCc4ccc5OCC(=O)Nc5c4)CC3)c2O1 Show InChI InChI=1S/C24H29N3O3/c1-24(2)15-18-4-3-5-20(23(18)30-24)27-12-10-26(11-13-27)9-8-17-6-7-21-19(14-17)25-22(28)16-29-21/h3-7,14H,8-13,15-16H2,1-2H3,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]5HT from human 5HT1D receptor expressed in CHO cells				Bioorg Med Chem Lett 18: 5653-6 (2008) Article DOI: 10.1016/j.bmcl.2008.08.084 BindingDB Entry DOI: 10.7270/Q2BR8TC6
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50417390 (CHEMBL1289154) Show SMILES FC(F)(F)Oc1ccc2nc([nH]c2c1)N1CCC2(CN(C(=O)O2)c2ccccc2)CC1 Show InChI InChI=1S/C21H19F3N4O3/c22-21(23,24)30-15-6-7-16-17(12-15)26-18(25-16)27-10-8-20(9-11-27)13-28(19(29)31-20)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,25,26)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonistic activity at human NPY Y5 receptor expressed in HEK293 cells assessed as inhibition of calcium level by FLIPR assay				Bioorg Med Chem Lett 20: 7120-3 (2010) Article DOI: 10.1016/j.bmcl.2010.09.064 BindingDB Entry DOI: 10.7270/Q2R49S2N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50413084 (CHEMBL521506) Show SMILES Cc1ccc2c(cc(Cl)cc2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1 Show InChI InChI=1S/C24H25ClN4O2/c1-16-2-4-19-20(26-16)13-18(25)14-22(19)29-10-8-28(9-11-29)7-6-17-3-5-23-21(12-17)27-24(30)15-31-23/h2-5,12-14H,6-11,15H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]5HT from human 5HT1D receptor expressed in CHO cells				Bioorg Med Chem Lett 18: 5653-6 (2008) Article DOI: 10.1016/j.bmcl.2008.08.084 BindingDB Entry DOI: 10.7270/Q2BR8TC6
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50417054 (CHEMBL1258673) Show SMILES Fc1ccccc1-c1ccc(NC[C@H]2CC[C@@]3(CN(C(=O)O3)c3cccnn3)CC2)nn1 |r,wU:13.13,wD:16.22,(14.72,.44,;13.96,1.78,;12.43,1.8,;11.67,3.15,;12.46,4.47,;14,4.45,;14.75,3.1,;16.29,3.08,;17.04,1.73,;18.58,1.71,;19.36,3.03,;20.9,3.01,;21.65,1.66,;23.19,1.64,;23.99,2.96,;25.53,2.94,;26.26,1.59,;27.4,2.62,;28.74,1.85,;28.42,.34,;29.45,-.8,;26.89,.18,;30.15,2.47,;31.39,1.56,;32.8,2.18,;32.96,3.72,;31.71,4.62,;30.31,3.99,;25.47,.27,;23.94,.3,;18.62,4.38,;17.08,4.41,)| Show InChI InChI=1S/C23H23FN6O2/c24-18-5-2-1-4-17(18)19-7-8-20(28-27-19)25-14-16-9-11-23(12-10-16)15-30(22(31)32-23)21-6-3-13-26-29-21/h1-8,13,16H,9-12,14-15H2,(H,25,28)/t16-,23-	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline SpA Curated by ChEMBL					Assay Description Antagonist activity at human NPY Y5 receptor				Bioorg Med Chem Lett 20: 6103-7 (2010) Article DOI: 10.1016/j.bmcl.2010.08.041 BindingDB Entry DOI: 10.7270/Q2JM2BWB
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50417039 (CHEMBL1257761) Show SMILES O=C1O[C@@]2(CN1c1ccccn1)CC[C@H](CNc1ccc(OC3CCC3)cn1)CC2 |r,wU:14.16,wD:3.2,(29.67,-25.14,;28.64,-23.99,;27.1,-24.16,;26.48,-22.75,;27.62,-21.72,;28.96,-22.49,;30.36,-21.87,;31.61,-22.78,;33.02,-22.15,;33.18,-20.62,;31.92,-19.71,;30.52,-20.34,;25.74,-21.4,;24.2,-21.38,;23.41,-22.7,;21.87,-22.68,;21.12,-21.33,;19.58,-21.3,;18.8,-22.62,;17.26,-22.6,;16.51,-21.25,;14.96,-21.24,;14.22,-19.89,;14.64,-18.41,;13.16,-17.99,;12.74,-19.47,;17.3,-19.93,;18.84,-19.96,;24.16,-24.04,;25.69,-24.07,)| Show InChI InChI=1S/C23H28N4O3/c28-22-27(21-6-1-2-13-24-21)16-23(30-22)11-9-17(10-12-23)14-25-20-8-7-19(15-26-20)29-18-4-3-5-18/h1-2,6-8,13,15,17-18H,3-5,9-12,14,16H2,(H,25,26)/t17-,23-	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline SpA Curated by ChEMBL					Assay Description Antagonist activity at human NPY Y5 receptor				Bioorg Med Chem Lett 20: 6103-7 (2010) Article DOI: 10.1016/j.bmcl.2010.08.041 BindingDB Entry DOI: 10.7270/Q2JM2BWB
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50417040 (CHEMBL1257760) Show SMILES O=C1O[C@@]2(CN1c1ccccn1)CC[C@H](CNc1ccc(cn1)-c1ncccn1)CC2 |r,wU:14.16,wD:3.2,(7.1,-28.95,;6.07,-27.81,;4.54,-27.97,;3.92,-26.56,;5.06,-25.53,;6.4,-26.3,;7.8,-25.68,;9.05,-26.59,;10.45,-25.96,;10.62,-24.43,;9.36,-23.52,;7.96,-24.15,;3.18,-25.21,;1.64,-25.19,;.85,-26.51,;-.69,-26.49,;-1.44,-25.14,;-2.98,-25.12,;-3.77,-26.43,;-5.3,-26.41,;-6.06,-25.06,;-5.26,-23.74,;-3.73,-23.77,;-7.6,-25.05,;-8.35,-23.7,;-9.89,-23.68,;-10.68,-25,;-9.92,-26.35,;-8.38,-26.37,;1.59,-27.85,;3.13,-27.88,)| Show InChI InChI=1S/C23H24N6O2/c30-22-29(20-4-1-2-11-24-20)16-23(31-22)9-7-17(8-10-23)14-27-19-6-5-18(15-28-19)21-25-12-3-13-26-21/h1-6,11-13,15,17H,7-10,14,16H2,(H,27,28)/t17-,23-	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline SpA Curated by ChEMBL					Assay Description Antagonist activity at human NPY Y5 receptor				Bioorg Med Chem Lett 20: 6103-7 (2010) Article DOI: 10.1016/j.bmcl.2010.08.041 BindingDB Entry DOI: 10.7270/Q2JM2BWB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50413550 (CHEMBL469345) Show SMILES CN1C(=O)COc2c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc12 Show InChI InChI=1S/C25H28N4O2/c1-18-9-10-20-21(26-18)6-4-7-22(20)29-15-13-28(14-16-29)12-11-19-5-3-8-23-25(19)31-17-24(30)27(23)2/h3-10H,11-17H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT1A receptor expressed in HEK293 cells assessed as inhibition of GTPgammaS binding by scintillation proximity assay				Bioorg Med Chem Lett 20: 7092-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.085 BindingDB Entry DOI: 10.7270/Q2MC919V
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50192317 (CHEMBL3899125 | US10239870, Example 281) Show SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccc(cc1)C(N)=O |r| Show InChI InChI=1S/C26H28F3N5OS/c1-33-23(19-5-3-18(4-6-19)22(30)35)31-32-24(33)36-14-2-12-34-13-11-25(16-34)15-21(25)17-7-9-20(10-8-17)26(27,28)29/h3-10,21H,2,11-16H2,1H3,(H2,30,35)/t21-,25+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aptuit s.r.l. Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counting				J Med Chem 59: 8549-76 (2016) Article DOI: 10.1021/acs.jmedchem.6b00972 BindingDB Entry DOI: 10.7270/Q2SQ9298
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50417982 (CHEMBL1672058) Show SMILES C[C@@H](N(C)C(=O)N1CC[C@@H](C[C@@H]1c1ccc(F)cc1C)NC1CCC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C28H32F7N3O/c1-16-11-21(29)7-8-24(16)25-15-23(36-22-5-4-6-22)9-10-38(25)26(39)37(3)17(2)18-12-19(27(30,31)32)14-20(13-18)28(33,34)35/h7-8,11-14,17,22-23,25,36H,4-6,9-10,15H2,1-3H3/t17-,23+,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]SP from human NK1 receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 54: 1071-9 (2011) Article DOI: 10.1021/jm1013264 BindingDB Entry DOI: 10.7270/Q2W66M1X
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50417970 (CHEMBL1672048) Show SMILES C[C@@H](N(C)C(=O)N1CC[C@@H](C[C@@H]1c1ccc(F)cc1C)N1CCC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C27H30F7N3O/c1-16-11-21(28)5-6-23(16)24-15-22(36-8-4-9-36)7-10-37(24)25(38)35(3)17(2)18-12-19(26(29,30)31)14-20(13-18)27(32,33)34/h5-6,11-14,17,22,24H,4,7-10,15H2,1-3H3/t17-,22+,24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.178	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]SP from human NK1 receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 54: 1071-9 (2011) Article DOI: 10.1021/jm1013264 BindingDB Entry DOI: 10.7270/Q2W66M1X
					More data for this Ligand-Target Pair

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