Compile Data Set for Download or QSAR

Found 263 hits with Last Name = 'montanari' and Initial = 'd'   

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
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
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
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
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
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
Substance-P receptor (Homo sapiens (Human))	BDBM50417974 (CHEMBL1672056) Show SMILES CN[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/C24H26F7N3O/c1-14-8-18(25)4-5-20(14)21-12-19(32-2)6-7-34(21)22(35)33(3)13-15-9-16(23(26,27)28)11-17(10-15)24(29,30)31/h4-5,8-11,19,21,32H,6-7,12-13H2,1-3H3/t19-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	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))	BDBM50417980 (CHEMBL1672052) 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	0.200	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))	BDBM50417976 (CHEMBL1672059) Show SMILES COCCN[C@H]1CCN([C@H](C1)c1ccc(F)cc1C)C(=O)N(C)[C@H](C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C27H32F7N3O2/c1-16-11-21(28)5-6-23(16)24-15-22(35-8-10-39-4)7-9-37(24)25(38)36(3)17(2)18-12-19(26(29,30)31)14-20(13-18)27(32,33)34/h5-6,11-14,17,22,24,35H,7-10,15H2,1-4H3/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	0.209	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))	BDBM50413891 (VESTIPITANT) Show SMILES C[C@@H](N(C)C(=O)N1CCNC[C@@H]1c1ccc(F)cc1C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H24F7N3O/c1-13-8-18(24)4-5-19(13)20-12-31-6-7-33(20)21(34)32(3)14(2)15-9-16(22(25,26)27)11-17(10-15)23(28,29)30/h4-5,8-11,14,20,31H,6-7,12H2,1-3H3/t14-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.224	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))	BDBM50413891 (VESTIPITANT) Show SMILES C[C@@H](N(C)C(=O)N1CCNC[C@@H]1c1ccc(F)cc1C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H24F7N3O/c1-13-8-18(24)4-5-19(13)20-12-31-6-7-33(20)21(34)32(3)14(2)15-9-16(22(25,26)27)11-17(10-15)23(28,29)30/h4-5,8-11,14,20,31H,6-7,12H2,1-3H3/t14-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.224	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
Substance-P receptor (Homo sapiens (Human))	BDBM50417968 (CHEMBL1672045) Show SMILES C[C@@H](N(C)C(=O)N1CC[C@@H](C[C@@H]1c1ccc(F)cc1C)N(C)C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C26H30F7N3O/c1-15-10-20(27)6-7-22(15)23-14-21(34(3)4)8-9-36(23)24(37)35(5)16(2)17-11-18(25(28,29)30)13-19(12-17)26(31,32)33/h6-7,10-13,16,21,23H,8-9,14H2,1-5H3/t16-,21+,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.240	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))	BDBM50417979 (CHEMBL1672050) 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)N1CCCC1 |r| Show InChI InChI=1S/C27H30F7N3O/c1-17-11-21(28)5-6-23(17)24-15-22(36-8-3-4-9-36)7-10-37(24)25(38)35(2)16-18-12-19(26(29,30)31)14-20(13-18)27(32,33)34/h5-6,11-14,22,24H,3-4,7-10,15-16H2,1-2H3/t22-,24+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.275	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))	BDBM50417975 (CHEMBL1672057) Show SMILES C[C@@H](N(C)C(=O)N1CC[C@@H](C[C@@H]1c1ccc(F)cc1C)NC1CC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C27H30F7N3O/c1-15-10-20(28)4-7-23(15)24-14-22(35-21-5-6-21)8-9-37(24)25(38)36(3)16(2)17-11-18(26(29,30)31)13-19(12-17)27(32,33)34/h4,7,10-13,16,21-22,24,35H,5-6,8-9,14H2,1-3H3/t16-,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	0.324	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	0.331	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))	BDBM50413892 (CHEMBL490926) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)N1CCNC[C@@H]1c1ccc(F)cc1C |r| Show InChI InChI=1S/C22H22F7N3O/c1-13-7-17(23)3-4-18(13)19-11-30-5-6-32(19)20(33)31(2)12-14-8-15(21(24,25)26)10-16(9-14)22(27,28)29/h3-4,7-10,19,30H,5-6,11-12H2,1-2H3/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.427	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
Substance-P receptor (Homo sapiens (Human))	BDBM50417981 (CHEMBL1672055) 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 Similars	Article PubMed	0.437	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))	BDBM50413890 (CHEMBL492117 | TCMDC-138495) Show SMILES C[C@H](N(C)C(=O)N1CCNC[C@@H]1c1ccc(F)cc1C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H24F7N3O/c1-13-8-18(24)4-5-19(13)20-12-31-6-7-33(20)21(34)32(3)14(2)15-9-16(22(25,26)27)11-17(10-15)23(28,29)30/h4-5,8-11,14,20,31H,6-7,12H2,1-3H3/t14-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.537	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
Substance-P receptor (Homo sapiens (Human))	BDBM50417971 (CHEMBL1672049) 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	0.646	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))	BDBM50417969 (CHEMBL1672046) Show SMILES C[C@@H](N(C)C(=O)N1CC[C@H](C[C@@H]1c1ccc(F)cc1C)N(C)C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C26H30F7N3O/c1-15-10-20(27)6-7-22(15)23-14-21(34(3)4)8-9-36(23)24(37)35(5)16(2)17-11-18(25(28,29)30)13-19(12-17)26(31,32)33/h6-7,10-13,16,21,23H,8-9,14H2,1-5H3/t16-,21-,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.933	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))	BDBM50413892 (CHEMBL490926) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)N1CCNC[C@@H]1c1ccc(F)cc1C |r| Show InChI InChI=1S/C22H22F7N3O/c1-13-7-17(23)3-4-18(13)19-11-30-5-6-32(19)20(33)31(2)12-14-8-15(21(24,25)26)10-16(9-14)22(27,28)29/h3-4,7-10,19,30H,5-6,11-12H2,1-2H3/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.29	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
Neuropeptide Y receptor type 2 (Homo sapiens (Human))	BDBM50417494 (CHEMBL1288285) Show SMILES CC(C)(C(=O)Nc1ccc(N2CCC3(CCN(CC4CC4)C3)CC2)c(Cl)c1)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C29H35ClF3N3O/c1-27(2,21-4-3-5-22(16-21)29(31,32)33)26(37)34-23-8-9-25(24(30)17-23)36-14-11-28(12-15-36)10-13-35(19-28)18-20-6-7-20/h3-5,8-9,16-17,20H,6-7,10-15,18-19H2,1-2H3,(H,34,37)	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
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human NPY Y2 receptor in KAN-TS cells by [35]GTPgammaS assay				Bioorg Med Chem Lett 20: 7341-4 (2010) Article DOI: 10.1016/j.bmcl.2010.10.065 BindingDB Entry DOI: 10.7270/Q2BV7HWV
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 2 (Homo sapiens (Human))	BDBM50414466 (CHEMBL550583) Show SMILES COc1ccccc1C(=O)N1CCN(CC1)c1ccc(NC(=O)C(C)(C)c2ccccc2)cc1Cl Show InChI InChI=1S/C28H30ClN3O3/c1-28(2,20-9-5-4-6-10-20)27(34)30-21-13-14-24(23(29)19-21)31-15-17-32(18-16-31)26(33)22-11-7-8-12-25(22)35-3/h4-14,19H,15-18H2,1-3H3,(H,30,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.51	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 neuropeptide Y2 receptor in KAN-TS cells by [35]GTPgammaS assay				Bioorg Med Chem Lett 19: 4022-5 (2009) Article DOI: 10.1016/j.bmcl.2009.06.035 BindingDB Entry DOI: 10.7270/Q2B27VBW
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50413888 (CHEMBL523156) Show SMILES C[C@H](N(C)C(=O)N1CCNC[C@H]1c1ccc(F)cc1C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H24F7N3O/c1-13-8-18(24)4-5-19(13)20-12-31-6-7-33(20)21(34)32(3)14(2)15-9-16(22(25,26)27)11-17(10-15)23(28,29)30/h4-5,8-11,14,20,31H,6-7,12H2,1-3H3/t14-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.72	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
Neuropeptide Y receptor type 2 (Homo sapiens (Human))	BDBM50414465 (CHEMBL550559) Show SMILES CC(C)(C(=O)Nc1ccc(N2CCN(CC2)C(=O)c2ccccc2C(F)(F)F)c(Cl)c1)c1ccccc1 Show InChI InChI=1S/C28H27ClF3N3O2/c1-27(2,19-8-4-3-5-9-19)26(37)33-20-12-13-24(23(29)18-20)34-14-16-35(17-15-34)25(36)21-10-6-7-11-22(21)28(30,31)32/h3-13,18H,14-17H2,1-2H3,(H,33,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.98	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 neuropeptide Y2 receptor in KAN-TS cells by [35]GTPgammaS assay				Bioorg Med Chem Lett 19: 4022-5 (2009) Article DOI: 10.1016/j.bmcl.2009.06.035 BindingDB Entry DOI: 10.7270/Q2B27VBW
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 2 (Homo sapiens (Human))	BDBM50414470 (CHEMBL551311) Show SMILES Cc1cccc(c1)C(C)(C)C(=O)Nc1ccc(N2CCN(CC2)C(=O)c2ccccc2)c(Cl)c1 Show InChI InChI=1S/C28H30ClN3O2/c1-20-8-7-11-22(18-20)28(2,3)27(34)30-23-12-13-25(24(29)19-23)31-14-16-32(17-15-31)26(33)21-9-5-4-6-10-21/h4-13,18-19H,14-17H2,1-3H3,(H,30,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.01	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 neuropeptide Y2 receptor in KAN-TS cells by [35]GTPgammaS assay				Bioorg Med Chem Lett 19: 4022-5 (2009) Article DOI: 10.1016/j.bmcl.2009.06.035 BindingDB Entry DOI: 10.7270/Q2B27VBW
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 2 (Homo sapiens (Human))	BDBM50414458 (CHEMBL562725) Show SMILES Clc1cc(NC(=O)C(c2ccccc2)c2ccccc2)ccc1N1CCN(CC1)C(=O)c1ccccc1 Show InChI InChI=1S/C31H28ClN3O2/c32-27-22-26(33-30(36)29(23-10-4-1-5-11-23)24-12-6-2-7-13-24)16-17-28(27)34-18-20-35(21-19-34)31(37)25-14-8-3-9-15-25/h1-17,22,29H,18-21H2,(H,33,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.31	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 neuropeptide Y2 receptor in KAN-TS cells by [35]GTPgammaS assay				Bioorg Med Chem Lett 19: 4022-5 (2009) Article DOI: 10.1016/j.bmcl.2009.06.035 BindingDB Entry DOI: 10.7270/Q2B27VBW
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50415284 (CHEMBL605831) Show SMILES Cn1c(CN2CCC(CC2)c2nc3ccccc3s2)nc2ccccc12 Show InChI InChI=1S/C21H22N4S/c1-24-18-8-4-2-6-16(18)22-20(24)14-25-12-10-15(11-13-25)21-23-17-7-3-5-9-19(17)26-21/h2-9,15H,10-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	7.94	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 D4 receptor expressed in HEK293 cells co-expressing Gqo5 G-protein by FLIPR assay				Bioorg Med Chem Lett 20: 759-62 (2010) Article DOI: 10.1016/j.bmcl.2009.11.032 BindingDB Entry DOI: 10.7270/Q2CC11XQ
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50413889 (CHEMBL489924) Show SMILES C[C@@H](N(C)C(=O)N1CCNC[C@H]1c1ccc(F)cc1C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H24F7N3O/c1-13-8-18(24)4-5-19(13)20-12-31-6-7-33(20)21(34)32(3)14(2)15-9-16(22(25,26)27)11-17(10-15)23(28,29)30/h4-5,8-11,14,20,31H,6-7,12H2,1-3H3/t14-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.13	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
Substance-P receptor (Homo sapiens (Human))	BDBM50413894 (CHEMBL521605) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)C1CNCCN1c1ccc(F)cc1C Show InChI InChI=1S/C22H22F7N3O/c1-13-7-17(23)3-4-18(13)32-6-5-30-11-19(32)20(33)31(2)12-14-8-15(21(24,25)26)10-16(9-14)22(27,28)29/h3-4,7-10,19,30H,5-6,11-12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	8.71	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
Neuropeptide Y receptor type 2 (Homo sapiens (Human))	BDBM50414459 (CHEMBL549771) Show SMILES CC(C)(C(=O)Nc1ccc(N2CCN(CC2)C(=O)c2ccccc2)c(Cl)c1)c1ccccc1 Show InChI InChI=1S/C27H28ClN3O2/c1-27(2,21-11-7-4-8-12-21)26(33)29-22-13-14-24(23(28)19-22)30-15-17-31(18-16-30)25(32)20-9-5-3-6-10-20/h3-14,19H,15-18H2,1-2H3,(H,29,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	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 neuropeptide Y2 receptor in KAN-TS cells by [35]GTPgammaS assay				Bioorg Med Chem Lett 19: 4022-5 (2009) Article DOI: 10.1016/j.bmcl.2009.06.035 BindingDB Entry DOI: 10.7270/Q2B27VBW
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 2 (Homo sapiens (Human))	BDBM50414467 (CHEMBL552112) Show SMILES CC(C)(C(=O)Nc1ccc(N2CCN(CC2)C(=O)c2ncccc2C(F)(F)F)c(Cl)c1)c1ccccc1 Show InChI InChI=1S/C27H26ClF3N4O2/c1-26(2,18-7-4-3-5-8-18)25(37)33-19-10-11-22(21(28)17-19)34-13-15-35(16-14-34)24(36)23-20(27(29,30)31)9-6-12-32-23/h3-12,17H,13-16H2,1-2H3,(H,33,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	12.6	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 neuropeptide Y2 receptor in KAN-TS cells by [35]GTPgammaS assay				Bioorg Med Chem Lett 19: 4022-5 (2009) Article DOI: 10.1016/j.bmcl.2009.06.035 BindingDB Entry DOI: 10.7270/Q2B27VBW
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 2 (Homo sapiens (Human))	BDBM50414461 (CHEMBL556481) Show SMILES Clc1cc(NC(=O)C(c2ccccc2)c2ccccn2)ccc1N1CCN(CC1)C(=O)c1ccccc1 Show InChI InChI=1S/C30H27ClN4O2/c31-25-21-24(33-29(36)28(22-9-3-1-4-10-22)26-13-7-8-16-32-26)14-15-27(25)34-17-19-35(20-18-34)30(37)23-11-5-2-6-12-23/h1-16,21,28H,17-20H2,(H,33,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12.6	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 neuropeptide Y2 receptor in KAN-TS cells by [35]GTPgammaS assay				Bioorg Med Chem Lett 19: 4022-5 (2009) Article DOI: 10.1016/j.bmcl.2009.06.035 BindingDB Entry DOI: 10.7270/Q2B27VBW
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 2 (Homo sapiens (Human))	BDBM50417479 (CHEMBL1288078) Show SMILES CC(C)(C(=O)Nc1ccc(N2CCC(CC2)N2CCCCC2)c(Cl)c1)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C27H33ClF3N3O/c1-26(2,19-7-6-8-20(17-19)27(29,30)31)25(35)32-21-9-10-24(23(28)18-21)34-15-11-22(12-16-34)33-13-4-3-5-14-33/h6-10,17-18,22H,3-5,11-16H2,1-2H3,(H,32,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15.8	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 NPY Y2 receptor in KAN-TS cells by [35]GTPgammaS assay				Bioorg Med Chem Lett 20: 7341-4 (2010) Article DOI: 10.1016/j.bmcl.2010.10.065 BindingDB Entry DOI: 10.7270/Q2BV7HWV
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50415281 (CHEMBL593744) Show SMILES Cn1c(CN2CCC(CC2)c2ccc(Cl)cc2)nc2ccccc12 Show InChI InChI=1S/C20H22ClN3/c1-23-19-5-3-2-4-18(19)22-20(23)14-24-12-10-16(11-13-24)15-6-8-17(21)9-7-15/h2-9,16H,10-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15.8	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 D2 receptor expressed in CHO cells co-expressing G0 by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 20: 759-62 (2010) Article DOI: 10.1016/j.bmcl.2009.11.032 BindingDB Entry DOI: 10.7270/Q2CC11XQ
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 2 (Homo sapiens (Human))	BDBM50417493 (CHEMBL1288284) Show SMILES CC(C)(C(=O)Nc1ccc(N2CCC3(CCNC3)CC2)c(Cl)c1)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C25H29ClF3N3O/c1-23(2,17-4-3-5-18(14-17)25(27,28)29)22(33)31-19-6-7-21(20(26)15-19)32-12-9-24(10-13-32)8-11-30-16-24/h3-7,14-15,30H,8-13,16H2,1-2H3,(H,31,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15.8	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 NPY Y2 receptor in KAN-TS cells by [35]GTPgammaS assay				Bioorg Med Chem Lett 20: 7341-4 (2010) Article DOI: 10.1016/j.bmcl.2010.10.065 BindingDB Entry DOI: 10.7270/Q2BV7HWV
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50413893 (CHEMBL522292) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)N1CCNC[C@H]1c1ccc(F)cc1C |r| Show InChI InChI=1S/C22H22F7N3O/c1-13-7-17(23)3-4-18(13)19-11-30-5-6-32(19)20(33)31(2)12-14-8-15(21(24,25)26)10-16(9-14)22(27,28)29/h3-4,7-10,19,30H,5-6,11-12H2,1-2H3/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18.2	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
Neuropeptide Y receptor type 2 (Homo sapiens (Human))	BDBM50417488 (CHEMBL1288200) Show SMILES CC(C)(C(=O)Nc1ccc(N2CCC(CC2)NCC2CC2)c(Cl)c1)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C26H31ClF3N3O/c1-25(2,18-4-3-5-19(14-18)26(28,29)30)24(34)32-21-8-9-23(22(27)15-21)33-12-10-20(11-13-33)31-16-17-6-7-17/h3-5,8-9,14-15,17,20,31H,6-7,10-13,16H2,1-2H3,(H,32,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19.9	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 NPY Y2 receptor in KAN-TS cells by [35]GTPgammaS assay				Bioorg Med Chem Lett 20: 7341-4 (2010) Article DOI: 10.1016/j.bmcl.2010.10.065 BindingDB Entry DOI: 10.7270/Q2BV7HWV
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 2 (Homo sapiens (Human))	BDBM50414455 (CHEMBL560914) Show SMILES CC1(CCCCC1)C(=O)Nc1ccc(N2CCN(CC2)C(=O)c2ccccc2)c(Cl)c1 Show InChI InChI=1S/C25H30ClN3O2/c1-25(12-6-3-7-13-25)24(31)27-20-10-11-22(21(26)18-20)28-14-16-29(17-15-28)23(30)19-8-4-2-5-9-19/h2,4-5,8-11,18H,3,6-7,12-17H2,1H3,(H,27,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19.9	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 neuropeptide Y2 receptor in KAN-TS cells by [35]GTPgammaS assay				Bioorg Med Chem Lett 19: 4022-5 (2009) Article DOI: 10.1016/j.bmcl.2009.06.035 BindingDB Entry DOI: 10.7270/Q2B27VBW
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 2 (Homo sapiens (Human))	BDBM50414468 (CHEMBL1196581 | CHEMBL557502) Show SMILES COc1cccnc1C(=O)N1CCN(CC1)c1ccc(NC(=O)C(C)(C)c2ccccc2)cc1Cl Show InChI InChI=1S/C27H29ClN4O3/c1-27(2,19-8-5-4-6-9-19)26(34)30-20-11-12-22(21(28)18-20)31-14-16-32(17-15-31)25(33)24-23(35-3)10-7-13-29-24/h4-13,18H,14-17H2,1-3H3,(H,30,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25.1	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 neuropeptide Y2 receptor in KAN-TS cells by [35]GTPgammaS assay				Bioorg Med Chem Lett 19: 4022-5 (2009) Article DOI: 10.1016/j.bmcl.2009.06.035 BindingDB Entry DOI: 10.7270/Q2B27VBW
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50343298 (1-Methyl-2-((4-phenylpiperidin-1-yl)methyl)-1H-ben...) Show SMILES Cn1c(CN2CCC(CC2)c2ccccc2)nc2ccccc12 Show InChI InChI=1S/C20H23N3/c1-22-19-10-6-5-9-18(19)21-20(22)15-23-13-11-17(12-14-23)16-7-3-2-4-8-16/h2-10,17H,11-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	25.1	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 D2 receptor expressed in CHO cells co-expressing G0 by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 20: 759-62 (2010) Article DOI: 10.1016/j.bmcl.2009.11.032 BindingDB Entry DOI: 10.7270/Q2CC11XQ
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 2 (Homo sapiens (Human))	BDBM50414468 (CHEMBL1196581 | CHEMBL557502) Show SMILES COc1cccnc1C(=O)N1CCN(CC1)c1ccc(NC(=O)C(C)(C)c2ccccc2)cc1Cl Show InChI InChI=1S/C27H29ClN4O3/c1-27(2,19-8-5-4-6-9-19)26(34)30-20-11-12-22(21(28)18-20)31-14-16-32(17-15-31)25(33)24-23(35-3)10-7-13-29-24/h4-13,18H,14-17H2,1-3H3,(H,30,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25.1	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 NPY Y2 receptor in KAN-TS cells by [35]GTPgammaS assay				Bioorg Med Chem Lett 20: 7341-4 (2010) Article DOI: 10.1016/j.bmcl.2010.10.065 BindingDB Entry DOI: 10.7270/Q2BV7HWV
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 2 (Homo sapiens (Human))	BDBM50417487 (CHEMBL1288199) Show SMILES Cc1cccc(c1)C(C)(C)C(=O)Nc1ccc(N2CCC(CC2)NCC2CC2)c(Cl)c1 Show InChI InChI=1S/C26H34ClN3O/c1-18-5-4-6-20(15-18)26(2,3)25(31)29-22-9-10-24(23(27)16-22)30-13-11-21(12-14-30)28-17-19-7-8-19/h4-6,9-10,15-16,19,21,28H,7-8,11-14,17H2,1-3H3,(H,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25.1	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 NPY Y2 receptor in KAN-TS cells by [35]GTPgammaS assay				Bioorg Med Chem Lett 20: 7341-4 (2010) Article DOI: 10.1016/j.bmcl.2010.10.065 BindingDB Entry DOI: 10.7270/Q2BV7HWV
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50343299 (2-((4-(2-Fluorophenyl)piperidin-1-yl)methyl)-1-met...) Show SMILES Cn1c(CN2CCC(CC2)c2ccccc2F)nc2ccccc12 Show InChI InChI=1S/C20H22FN3/c1-23-19-9-5-4-8-18(19)22-20(23)14-24-12-10-15(11-13-24)16-6-2-3-7-17(16)21/h2-9,15H,10-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39.8	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 D2 receptor expressed in CHO cells co-expressing G0 by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 20: 759-62 (2010) Article DOI: 10.1016/j.bmcl.2009.11.032 BindingDB Entry DOI: 10.7270/Q2CC11XQ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50415283 (CHEMBL608103) Show SMILES Cn1c(CN2CCC(CC2)c2cccc(Cl)c2)nc2ccccc12 Show InChI InChI=1S/C20H22ClN3/c1-23-19-8-3-2-7-18(19)22-20(23)14-24-11-9-15(10-12-24)16-5-4-6-17(21)13-16/h2-8,13,15H,9-12,14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39.8	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 D2 receptor expressed in CHO cells co-expressing G0 by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 20: 759-62 (2010) Article DOI: 10.1016/j.bmcl.2009.11.032 BindingDB Entry DOI: 10.7270/Q2CC11XQ
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 2 (Homo sapiens (Human))	BDBM50417475 (CHEMBL1288016) Show SMILES Clc1cc(NC(=O)C(c2ccccc2)c2ccccc2)ccc1N1CCC(CC1)N1CCCCC1 Show InChI InChI=1S/C30H34ClN3O/c31-27-22-25(14-15-28(27)34-20-16-26(17-21-34)33-18-8-3-9-19-33)32-30(35)29(23-10-4-1-5-11-23)24-12-6-2-7-13-24/h1-2,4-7,10-15,22,26,29H,3,8-9,16-21H2,(H,32,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50.1	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 NPY Y2 receptor in KAN-TS cells by [35]GTPgammaS assay				Bioorg Med Chem Lett 20: 7341-4 (2010) Article DOI: 10.1016/j.bmcl.2010.10.065 BindingDB Entry DOI: 10.7270/Q2BV7HWV
					More data for this Ligand-Target Pair
Neuropeptide Y-Y2 receptor (Rattus norvegicus)	BDBM50414468 (CHEMBL1196581 | CHEMBL557502) Show SMILES COc1cccnc1C(=O)N1CCN(CC1)c1ccc(NC(=O)C(C)(C)c2ccccc2)cc1Cl Show InChI InChI=1S/C27H29ClN4O3/c1-27(2,19-8-5-4-6-9-19)26(34)30-20-11-12-22(21(28)18-20)31-14-16-32(17-15-31)25(33)24-23(35-3)10-7-13-29-24/h4-13,18H,14-17H2,1-3H3,(H,30,34)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50.1	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 rat NPY Y2 receptor expressed in HEK cells by [35]GTPgammaS assay				Bioorg Med Chem Lett 20: 7341-4 (2010) Article DOI: 10.1016/j.bmcl.2010.10.065 BindingDB Entry DOI: 10.7270/Q2BV7HWV
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 2 (Homo sapiens (Human))	BDBM50414453 (CHEMBL563650) Show SMILES CCC(C)(C)C(=O)Nc1ccc(N2CCN(CC2)C(=O)c2ccccc2)c(Cl)c1 Show InChI InChI=1S/C23H28ClN3O2/c1-4-23(2,3)22(29)25-18-10-11-20(19(24)16-18)26-12-14-27(15-13-26)21(28)17-8-6-5-7-9-17/h5-11,16H,4,12-15H2,1-3H3,(H,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50.1	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 neuropeptide Y2 receptor in KAN-TS cells by [35]GTPgammaS assay				Bioorg Med Chem Lett 19: 4022-5 (2009) Article DOI: 10.1016/j.bmcl.2009.06.035 BindingDB Entry DOI: 10.7270/Q2B27VBW
					More data for this Ligand-Target Pair

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