Compile Data Set for Download or QSAR

Found 990 hits with Last Name = 'sabbatini' and Initial = 'fm'   

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))	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
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50417407 (CHEMBL1289153) Show SMILES Fc1ccc(cc1)-c1ccc2[nH]c(nc2c1)N1CCC2(CN(C(=O)O2)c2ccccc2)CC1 Show InChI InChI=1S/C26H23FN4O2/c27-20-9-6-18(7-10-20)19-8-11-22-23(16-19)29-24(28-22)30-14-12-26(13-15-30)17-31(25(32)33-26)21-4-2-1-3-5-21/h1-11,16H,12-15,17H2,(H,28,29)	KEGG UniProtKB/SwissProt 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 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
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	0.251	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 NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 623-7 (2010) Article DOI: 10.1016/j.bmcl.2009.11.078 BindingDB Entry DOI: 10.7270/Q2H1338K
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50417406 (CHEMBL1290037) Show SMILES O=C1O[C@@]2(CN1c1ccccc1)CC[C@@H](CC2)c1nc2ccc(cc2[nH]1)C#N |r,wU:3.2,wD:14.19,(44.12,-48.11,;42.99,-47.06,;41.48,-47.37,;40.72,-46.03,;41.77,-44.89,;43.17,-45.54,;44.5,-44.78,;45.83,-45.57,;47.17,-44.82,;47.18,-43.28,;45.85,-42.49,;44.51,-43.25,;39.98,-47.38,;38.45,-47.41,;37.65,-46.09,;38.38,-44.74,;39.92,-44.71,;36.11,-46.12,;35.23,-47.4,;33.75,-46.95,;32.43,-47.76,;31.08,-47.02,;31.05,-45.47,;32.36,-44.67,;33.71,-45.4,;35.17,-44.89,;29.7,-44.74,;28.35,-43.96,)| Show InChI InChI=1S/C22H20N4O2/c23-13-15-6-7-18-19(12-15)25-20(24-18)16-8-10-22(11-9-16)14-26(21(27)28-22)17-4-2-1-3-5-17/h1-7,12,16H,8-11,14H2,(H,24,25)/t16-,22-	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.316	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
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50417387 (CHEMBL1289386) Show SMILES Fc1ccc(cc1)N1C[C@@]2(CC[C@@H](CC2)c2nc3ccc(OC(F)(F)F)cc3[nH]2)OC1=O |r,wU:9.32,wD:12.16,(48.29,-13.3,;46.95,-14.06,;46.93,-15.6,;45.59,-16.35,;44.26,-15.57,;44.28,-14.03,;45.61,-13.28,;42.93,-16.32,;41.53,-15.68,;40.48,-16.81,;39.74,-18.16,;38.21,-18.19,;37.41,-16.88,;38.14,-15.53,;39.68,-15.5,;35.87,-16.91,;34.99,-18.18,;33.51,-17.74,;32.19,-18.54,;30.84,-17.8,;30.81,-16.26,;29.46,-15.52,;29.42,-13.98,;28.07,-13.24,;30.74,-13.18,;29.46,-12.44,;32.12,-15.46,;33.47,-16.19,;34.93,-15.67,;41.24,-18.15,;42.75,-17.85,;43.88,-18.89,)| Show InChI InChI=1S/C22H19F4N3O3/c23-14-1-3-15(4-2-14)29-12-21(32-20(29)30)9-7-13(8-10-21)19-27-17-6-5-16(11-18(17)28-19)31-22(24,25)26/h1-6,11,13H,7-10,12H2,(H,27,28)/t13-,21-	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.316	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
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50417405 (CHEMBL1289267) Show SMILES FC(F)(F)Oc1ccc2nc([nH]c2c1)[C@H]1CC[C@@]2(CN(C(=O)O2)c2ccccc2)CC1 |r,wU:17.24,wD:14.15,(-14.1,-12.22,;-12.74,-12.96,;-11.43,-12.16,;-12.7,-11.42,;-12.72,-14.5,;-11.36,-15.24,;-11.32,-16.78,;-9.97,-17.52,;-8.66,-16.71,;-7.17,-17.16,;-6.29,-15.88,;-7.23,-14.65,;-8.69,-15.17,;-10.04,-14.44,;-4.76,-15.85,;-3.96,-17.17,;-2.43,-17.14,;-1.69,-15.79,;-.64,-14.66,;.76,-15.3,;.58,-16.83,;1.71,-17.87,;-.93,-17.13,;2.09,-14.55,;3.41,-15.33,;4.75,-14.58,;4.77,-13.04,;3.44,-12.26,;2.1,-13.01,;-2.48,-14.47,;-4.03,-14.5,)| Show InChI InChI=1S/C22H20F3N3O3/c23-22(24,25)30-16-6-7-17-18(12-16)27-19(26-17)14-8-10-21(11-9-14)13-28(20(29)31-21)15-4-2-1-3-5-15/h1-7,12,14H,8-11,13H2,(H,26,27)/t14-,21-	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.316	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
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50417404 (CHEMBL1289609) Show SMILES Cc1cccc(n1)N1C[C@@]2(CC[C@@H](CC2)c2nc3ccc(OC(F)(F)F)cc3[nH]2)OC1=O |r,wU:9.32,wD:12.16,(4.72,-25.12,;4.71,-26.66,;6.04,-27.44,;6.02,-28.99,;4.68,-29.74,;3.36,-28.95,;3.37,-27.42,;2.02,-29.7,;.63,-29.06,;-.42,-30.2,;-1.16,-31.54,;-2.7,-31.58,;-3.49,-30.26,;-2.76,-28.91,;-1.22,-28.88,;-5.03,-30.29,;-5.91,-31.56,;-7.39,-31.12,;-8.71,-31.92,;-10.06,-31.19,;-10.09,-29.64,;-11.46,-28.9,;-11.48,-27.37,;-12.84,-26.63,;-10.17,-26.56,;-11.44,-25.82,;-8.78,-28.84,;-7.43,-29.57,;-5.97,-29.06,;.34,-31.53,;1.85,-31.23,;2.98,-32.28,)| Show InChI InChI=1S/C22H21F3N4O3/c1-13-3-2-4-18(26-13)29-12-21(32-20(29)30)9-7-14(8-10-21)19-27-16-6-5-15(11-17(16)28-19)31-22(23,24)25/h2-6,11,14H,7-10,12H2,1H3,(H,27,28)/t14-,21-	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.398	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
Substance-P receptor (Homo sapiens (Human))	BDBM50415267 (CHEMBL589371) Show SMILES CN(C(=O)N1CCNC[C@@H]1c1ccc(F)cc1C)C1(CC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C24H24F7N3O/c1-14-9-18(25)3-4-19(14)20-13-32-7-8-34(20)21(35)33(2)22(5-6-22)15-10-16(23(26,27)28)12-17(11-15)24(29,30)31/h3-4,9-12,20,32H,5-8,13H2,1-2H3/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.501	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 NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 623-7 (2010) Article DOI: 10.1016/j.bmcl.2009.11.078 BindingDB Entry DOI: 10.7270/Q2H1338K
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50417403 (CHEMBL1290038) Show SMILES Fc1ccc(cc1)N1C[C@@]2(CC[C@@H](CC2)c2nc3ccc(cc3[nH]2)C#N)OC1=O |r,wU:9.29,wD:12.16,(8.45,-40.09,;7.11,-40.85,;7.09,-42.39,;5.75,-43.14,;4.42,-42.35,;4.44,-40.82,;5.77,-40.06,;3.09,-43.11,;1.69,-42.46,;.65,-43.6,;-.1,-44.95,;-1.63,-44.98,;-2.43,-43.66,;-1.7,-42.31,;-.15,-42.28,;-3.96,-43.69,;-4.85,-44.97,;-6.33,-44.52,;-7.64,-45.33,;-8.99,-44.59,;-9.03,-43.05,;-7.72,-42.24,;-6.37,-42.98,;-4.9,-42.46,;-10.38,-42.31,;-11.72,-41.54,;1.41,-44.94,;2.91,-44.64,;4.05,-45.68,)| Show InChI InChI=1S/C22H19FN4O2/c23-16-2-4-17(5-3-16)27-13-22(29-21(27)28)9-7-15(8-10-22)20-25-18-6-1-14(12-24)11-19(18)26-20/h1-6,11,15H,7-10,13H2,(H,25,26)/t15-,22-	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.631	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
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50417402 (CHEMBL1289820) Show SMILES FC(F)(F)c1ccc2nc([nH]c2c1)[C@H]1CC[C@@]2(CN(C(=O)O2)c2ccccc2)CC1 |r,wU:16.23,wD:13.14,(28.53,-36.29,;28.56,-37.83,;27.25,-38.63,;27.22,-37.06,;29.91,-38.57,;29.95,-40.11,;31.3,-40.85,;32.61,-40.05,;34.1,-40.49,;34.98,-39.22,;34.04,-37.99,;32.58,-38.5,;31.22,-37.77,;36.51,-39.19,;37.31,-40.51,;38.84,-40.47,;39.59,-39.12,;40.63,-37.99,;42.03,-38.63,;41.86,-40.16,;42.99,-41.2,;40.35,-40.46,;43.37,-37.88,;44.69,-38.67,;46.03,-37.91,;46.05,-36.37,;44.71,-35.59,;43.38,-36.35,;38.79,-37.81,;37.24,-37.84,)| Show InChI InChI=1S/C22H20F3N3O2/c23-22(24,25)15-6-7-17-18(12-15)27-19(26-17)14-8-10-21(11-9-14)13-28(20(29)30-21)16-4-2-1-3-5-16/h1-7,12,14H,8-11,13H2,(H,26,27)/t14-,21-	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.631	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
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50417386 (CHEMBL1289268) Show SMILES Fc1ccccc1N1C[C@@]2(CC[C@@H](CC2)c2nc3ccc(OC(F)(F)F)cc3[nH]2)OC1=O |r,wU:9.32,wD:12.16,(21.81,-13.52,;23.13,-14.3,;24.47,-13.55,;25.8,-14.33,;25.78,-15.87,;24.44,-16.62,;23.12,-15.84,;21.78,-16.59,;20.39,-15.95,;19.34,-17.08,;18.6,-18.43,;17.06,-18.46,;16.27,-17.15,;17,-15.79,;18.54,-15.76,;14.73,-17.18,;13.85,-18.45,;12.37,-18.01,;11.05,-18.81,;9.7,-18.07,;9.67,-16.53,;8.32,-15.79,;8.28,-14.25,;6.93,-13.51,;9.59,-13.45,;8.32,-12.71,;10.98,-15.73,;12.33,-16.46,;13.79,-15.94,;20.1,-18.42,;21.61,-18.12,;22.74,-19.16,)| Show InChI InChI=1S/C22H19F4N3O3/c23-15-3-1-2-4-18(15)29-12-21(32-20(29)30)9-7-13(8-10-21)19-27-16-6-5-14(11-17(16)28-19)31-22(24,25)26/h1-6,11,13H,7-10,12H2,(H,27,28)/t13-,21-	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.631	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
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50417388 (CHEMBL1289714) Show SMILES Fc1cccc(n1)N1C[C@@]2(CC[C@@H](CC2)c2nc3ccc(OC(F)(F)F)cc3[nH]2)OC1=O |r,wU:9.32,wD:12.16,(45.18,-25.24,;45.16,-26.78,;46.5,-27.56,;46.48,-29.1,;45.14,-29.86,;43.82,-29.07,;43.83,-27.54,;42.48,-29.82,;41.08,-29.18,;40.04,-30.32,;39.29,-31.66,;37.76,-31.7,;36.96,-30.38,;37.69,-29.03,;39.24,-29,;35.43,-30.41,;34.55,-31.68,;33.06,-31.24,;31.75,-32.04,;30.4,-31.3,;30.36,-29.76,;29.01,-29.02,;28.98,-27.48,;27.62,-26.75,;30.29,-26.68,;29.02,-25.94,;31.67,-28.96,;33.03,-29.69,;34.49,-29.18,;40.8,-31.65,;42.31,-31.35,;43.44,-32.39,)| Show InChI InChI=1S/C21H18F4N4O3/c22-16-2-1-3-17(28-16)29-11-20(32-19(29)30)8-6-12(7-9-20)18-26-14-5-4-13(10-15(14)27-18)31-21(23,24)25/h1-5,10,12H,6-9,11H2,(H,26,27)/t12-,20-	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.26	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
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50417394 (CHEMBL1289038) Show SMILES Brc1ccc2nc([nH]c2c1)N1CCC2(CN(C(=O)O2)c2ccccc2)CC1 Show InChI InChI=1S/C20H19BrN4O2/c21-14-6-7-16-17(12-14)23-18(22-16)24-10-8-20(9-11-24)13-25(19(26)27-20)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,22,23)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.26	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
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50417408 (CHEMBL1289503) Show SMILES FC(F)(F)Oc1ccc2nc([nH]c2c1)[C@H]1CC[C@@]2(CN(C(=O)O2)c2ccccn2)CC1 |r,wU:17.24,wD:14.15,(27.51,-20,;28.86,-20.74,;30.17,-19.93,;28.9,-19.19,;28.9,-22.27,;30.25,-23.01,;30.28,-24.56,;31.63,-25.29,;32.95,-24.49,;34.43,-24.93,;35.31,-23.66,;34.37,-22.43,;32.91,-22.94,;31.56,-22.21,;36.84,-23.63,;37.64,-24.95,;39.18,-24.92,;39.92,-23.57,;40.97,-22.43,;42.36,-23.07,;42.19,-24.6,;43.32,-25.65,;40.68,-24.9,;43.7,-22.32,;45.02,-23.11,;46.36,-22.36,;46.38,-20.81,;45.05,-20.03,;43.71,-20.79,;39.12,-22.25,;37.58,-22.28,)| Show InChI InChI=1S/C21H19F3N4O3/c22-21(23,24)30-14-4-5-15-16(11-14)27-18(26-15)13-6-8-20(9-7-13)12-28(19(29)31-20)17-3-1-2-10-25-17/h1-5,10-11,13H,6-9,12H2,(H,26,27)/t13-,20-	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.26	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
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50417391 (CHEMBL1290706) Show SMILES FC(F)(F)c1ccc2nc([nH]c2c1)N1CCC2(CN(C(=O)O2)c2ccccc2)CC1 Show InChI InChI=1S/C21H19F3N4O2/c22-21(23,24)14-6-7-16-17(12-14)26-18(25-16)27-10-8-20(9-11-27)13-28(19(29)30-20)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,25,26)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.58	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
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50417053 (CHEMBL1257173) Show SMILES O=C(Nc1nc(cs1)-c1ccccn1)N1CCC2(CN(C(=O)O2)c2ccccc2)CC1 Show InChI InChI=1S/C22H21N5O3S/c28-20(25-19-24-18(14-31-19)17-8-4-5-11-23-17)26-12-9-22(10-13-26)15-27(21(29)30-22)16-6-2-1-3-7-16/h1-8,11,14H,9-10,12-13,15H2,(H,24,25,28)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 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
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50417401 (CHEMBL1289502) Show SMILES FC(F)(F)Oc1ccc2nc([nH]c2c1)[C@H]1CC[C@@]2(CN(C(=O)O2)c2ccccc2Cl)CC1 |r,wU:17.24,wD:14.15,(7.52,-20.4,;8.87,-21.14,;10.19,-20.34,;8.91,-19.6,;8.91,-22.68,;10.26,-23.42,;10.29,-24.96,;11.65,-25.7,;12.96,-24.9,;14.44,-25.34,;15.32,-24.07,;14.38,-22.84,;12.92,-23.35,;11.57,-22.62,;16.86,-24.04,;17.66,-25.35,;19.19,-25.32,;19.94,-23.97,;20.98,-22.84,;22.38,-23.48,;22.2,-25.01,;23.34,-26.05,;20.7,-25.31,;23.71,-22.73,;25.04,-23.52,;26.38,-22.76,;26.4,-21.22,;25.06,-20.44,;23.73,-21.19,;22.4,-20.41,;19.14,-22.66,;17.59,-22.69,)| Show InChI InChI=1S/C22H19ClF3N3O3/c23-15-3-1-2-4-18(15)29-12-21(32-20(29)30)9-7-13(8-10-21)19-27-16-6-5-14(11-17(16)28-19)31-22(24,25)26/h1-6,11,13H,7-10,12H2,(H,27,28)/t13-,21-	KEGG UniProtKB/SwissProt 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 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
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50417400 (CHEMBL1289937) Show SMILES Fc1cccc(n1)N1C[C@@]2(CC[C@@H](CC2)c2nc3ccc(cc3[nH]2)C(F)(F)F)OC1=O |r,wU:9.31,wD:12.16,(25.52,-40.31,;25.51,-41.85,;26.85,-42.63,;26.83,-44.17,;25.49,-44.92,;24.16,-44.14,;24.18,-42.6,;22.83,-44.89,;21.43,-44.25,;20.38,-45.38,;19.64,-46.73,;18.11,-46.76,;17.31,-45.45,;18.04,-44.09,;19.59,-44.06,;15.77,-45.48,;14.89,-46.75,;13.41,-46.31,;12.1,-47.11,;10.74,-46.37,;10.71,-44.83,;12.02,-44.03,;13.37,-44.76,;14.83,-44.24,;9.36,-44.09,;9.32,-42.55,;8.04,-44.89,;8.02,-43.32,;21.14,-46.72,;22.65,-46.42,;23.78,-47.46,)| Show InChI InChI=1S/C21H18F4N4O2/c22-16-2-1-3-17(28-16)29-11-20(31-19(29)30)8-6-12(7-9-20)18-26-14-5-4-13(21(23,24)25)10-15(14)27-18/h1-5,10,12H,6-9,11H2,(H,26,27)/t12-,20-	KEGG UniProtKB/SwissProt 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 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
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50417399 (CHEMBL1289936) Show SMILES FC(F)(F)c1ccc2nc([nH]c2c1)[C@H]1CC[C@@]2(CN(C(=O)O2)c2ccccn2)CC1 |r,wU:16.23,wD:13.14,(-11.58,-41.95,;-11.55,-43.49,;-12.86,-44.29,;-12.88,-42.71,;-10.19,-44.22,;-10.15,-45.77,;-8.8,-46.5,;-7.49,-45.7,;-6,-46.14,;-5.12,-44.87,;-6.06,-43.64,;-7.52,-44.15,;-8.88,-43.42,;-3.59,-44.84,;-2.79,-46.16,;-1.26,-46.13,;-.51,-44.78,;.53,-43.64,;1.93,-44.28,;1.75,-45.81,;2.89,-46.86,;.25,-46.11,;3.26,-43.53,;4.59,-44.32,;5.93,-43.57,;5.95,-42.03,;4.61,-41.24,;3.28,-42,;-1.31,-43.46,;-2.86,-43.49,)| Show InChI InChI=1S/C21H19F3N4O2/c22-21(23,24)14-4-5-15-16(11-14)27-18(26-15)13-6-8-20(9-7-13)12-28(19(29)30-20)17-3-1-2-10-25-17/h1-5,10-11,13H,6-9,12H2,(H,26,27)/t13-,20-	KEGG UniProtKB/SwissProt 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 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
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50417398 (CHEMBL1289387) Show SMILES Cc1ccccc1N1C[C@@]2(CC[C@@H](CC2)c2nc3ccc(OC(F)(F)F)cc3[nH]2)OC1=O |r,wU:9.32,wD:12.16,(1.99,-19.59,;3.32,-20.37,;4.65,-19.62,;5.99,-20.4,;5.97,-21.94,;4.63,-22.69,;3.3,-21.91,;1.97,-22.66,;.57,-22.02,;-.47,-23.15,;-1.22,-24.5,;-2.75,-24.53,;-3.55,-23.22,;-2.82,-21.87,;-1.27,-21.84,;-5.08,-23.25,;-5.96,-24.52,;-7.45,-24.08,;-8.76,-24.88,;-10.11,-24.14,;-10.15,-22.6,;-11.51,-21.86,;-11.54,-20.32,;-12.89,-19.58,;-10.22,-19.52,;-11.5,-18.78,;-8.84,-21.8,;-7.49,-22.53,;-6.02,-22.02,;.29,-24.49,;1.79,-24.19,;2.93,-25.23,)| Show InChI InChI=1S/C23H22F3N3O3/c1-14-4-2-3-5-19(14)29-13-22(32-21(29)30)10-8-15(9-11-22)20-27-17-7-6-16(12-18(17)28-20)31-23(24,25)26/h2-7,12,15H,8-11,13H2,1H3,(H,27,28)/t15-,22-	KEGG UniProtKB/SwissProt 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 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
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50417397 (CHEMBL1290147) Show SMILES O=C1O[C@@]2(CN1c1ccccn1)CC[C@@H](CC2)c1nc2ccc(cc2[nH]1)C#N |r,wU:3.2,wD:14.19,(25.34,-47.26,;24.21,-46.22,;22.7,-46.52,;21.94,-45.18,;22.99,-44.05,;24.39,-44.69,;25.72,-43.94,;27.05,-44.72,;28.39,-43.97,;28.4,-42.43,;27.07,-41.65,;25.74,-42.4,;21.2,-46.53,;19.67,-46.56,;18.87,-45.25,;19.6,-43.89,;21.15,-43.86,;17.33,-45.27,;16.45,-46.55,;14.97,-46.11,;13.66,-46.91,;12.31,-46.17,;12.27,-44.63,;13.58,-43.83,;14.93,-44.56,;16.39,-44.04,;10.92,-43.89,;9.58,-43.12,)| Show InChI InChI=1S/C21H19N5O2/c22-12-14-4-5-16-17(11-14)25-19(24-16)15-6-8-21(9-7-15)13-26(20(27)28-21)18-3-1-2-10-23-18/h1-5,10-11,15H,6-9,13H2,(H,24,25)/t15-,21-	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 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
Substance-P receptor (Homo sapiens (Human))	BDBM50415264 (CHEMBL591074) Show SMILES Cc1cc(F)ccc1[C@H]1CNCCN1C(=O)N1CCC=CC1c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r,c:21| Show InChI InChI=1S/C25H24F7N3O/c1-15-10-19(26)5-6-20(15)22-14-33-7-9-35(22)23(36)34-8-3-2-4-21(34)16-11-17(24(27,28)29)13-18(12-16)25(30,31)32/h2,4-6,10-13,21-22,33H,3,7-9,14H2,1H3/t21?,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	19.9	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 NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 623-7 (2010) Article DOI: 10.1016/j.bmcl.2009.11.078 BindingDB Entry DOI: 10.7270/Q2H1338K
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50417392 (CHEMBL1289039) Show SMILES Fc1ccc2nc([nH]c2c1)N1CCC2(CN(C(=O)O2)c2ccccc2)CC1 Show InChI InChI=1S/C20H19FN4O2/c21-14-6-7-16-17(12-14)23-18(22-16)24-10-8-20(9-11-24)13-25(19(26)27-20)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,22,23)	KEGG UniProtKB/SwissProt 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 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
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50417396 (CHEMBL1289819) Show SMILES Fc1ncccc1N1C[C@@]2(CC[C@@H](CC2)c2nc3ccc(OC(F)(F)F)cc3[nH]2)OC1=O |r,wU:9.32,wD:12.16,(21.99,-34.44,;23.31,-35.22,;24.65,-34.46,;25.98,-35.24,;25.97,-36.79,;24.62,-37.54,;23.3,-36.75,;21.97,-37.5,;20.57,-36.86,;19.52,-38,;18.78,-39.35,;17.24,-39.38,;16.45,-38.06,;17.18,-36.71,;18.72,-36.68,;14.91,-38.09,;14.03,-39.36,;12.55,-38.92,;11.23,-39.72,;9.88,-38.99,;9.85,-37.44,;8.5,-36.7,;8.46,-35.17,;7.11,-34.43,;9.77,-34.36,;8.5,-33.62,;11.16,-36.64,;12.51,-37.37,;13.97,-36.86,;20.28,-39.33,;21.79,-39.03,;22.92,-40.08,)| Show InChI InChI=1S/C21H18F4N4O3/c22-17-16(2-1-9-26-17)29-11-20(32-19(29)30)7-5-12(6-8-20)18-27-14-4-3-13(10-15(14)28-18)31-21(23,24)25/h1-4,9-10,12H,5-8,11H2,(H,27,28)/t12-,20-	KEGG UniProtKB/SwissProt 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 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
Substance-P receptor (Homo sapiens (Human))	BDBM50415264 (CHEMBL591074) Show SMILES Cc1cc(F)ccc1[C@H]1CNCCN1C(=O)N1CCC=CC1c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r,c:21| Show InChI InChI=1S/C25H24F7N3O/c1-15-10-19(26)5-6-20(15)22-14-33-7-9-35(22)23(36)34-8-3-2-4-21(34)16-11-17(24(27,28)29)13-18(12-16)25(30,31)32/h2,4-6,10-13,21-22,33H,3,7-9,14H2,1H3/t21?,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	20	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 NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 623-7 (2010) Article DOI: 10.1016/j.bmcl.2009.11.078 BindingDB Entry DOI: 10.7270/Q2H1338K
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50417395 (CHEMBL1289715) Show SMILES FC(F)(F)Oc1ccc2nc([nH]c2c1)[C@H]1CC[C@@]2(CN(C(=O)O2)c2cccnc2)CC1 |r,wU:17.24,wD:14.15,(-12.77,-33.88,;-11.41,-34.62,;-10.09,-33.81,;-11.37,-33.07,;-11.39,-36.15,;-10.02,-36.89,;-9.99,-38.43,;-8.64,-39.17,;-7.32,-38.37,;-5.84,-38.81,;-4.96,-37.54,;-5.9,-36.31,;-7.36,-36.82,;-8.71,-36.09,;-3.42,-37.51,;-2.63,-38.83,;-1.09,-38.79,;-.35,-37.45,;.7,-36.31,;2.09,-36.95,;1.92,-38.48,;3.05,-39.52,;.41,-38.78,;3.43,-36.2,;4.75,-36.99,;6.09,-36.23,;6.11,-34.69,;4.78,-33.91,;3.44,-34.67,;-1.15,-36.13,;-2.69,-36.16,)| Show InChI InChI=1S/C21H19F3N4O3/c22-21(23,24)30-15-3-4-16-17(10-15)27-18(26-16)13-5-7-20(8-6-13)12-28(19(29)31-20)14-2-1-9-25-11-14/h1-4,9-11,13H,5-8,12H2,(H,26,27)/t13-,20-	KEGG UniProtKB/SwissProt 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 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
Substance-P receptor (Homo sapiens (Human))	BDBM50415265 (CHEMBL591075) Show SMILES Cc1cc(F)ccc1[C@H]1CNCCN1C(=O)N1CCCCC1c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C25H26F7N3O/c1-15-10-19(26)5-6-20(15)22-14-33-7-9-35(22)23(36)34-8-3-2-4-21(34)16-11-17(24(27,28)29)13-18(12-16)25(30,31)32/h5-6,10-13,21-22,33H,2-4,7-9,14H2,1H3/t21?,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31.6	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 NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 623-7 (2010) Article DOI: 10.1016/j.bmcl.2009.11.078 BindingDB Entry DOI: 10.7270/Q2H1338K
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50415265 (CHEMBL591075) Show SMILES Cc1cc(F)ccc1[C@H]1CNCCN1C(=O)N1CCCCC1c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C25H26F7N3O/c1-15-10-19(26)5-6-20(15)22-14-33-7-9-35(22)23(36)34-8-3-2-4-21(34)16-11-17(24(27,28)29)13-18(12-16)25(30,31)32/h5-6,10-13,21-22,33H,2-4,7-9,14H2,1H3/t21?,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31.6	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 NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 623-7 (2010) Article DOI: 10.1016/j.bmcl.2009.11.078 BindingDB Entry DOI: 10.7270/Q2H1338K
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50417394 (CHEMBL1289038) Show SMILES Brc1ccc2nc([nH]c2c1)N1CCC2(CN(C(=O)O2)c2ccccc2)CC1 Show InChI InChI=1S/C20H19BrN4O2/c21-14-6-7-16-17(12-14)23-18(22-16)24-10-8-20(9-11-24)13-25(19(26)27-20)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,22,23)	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 Antagonistic activity at human alpha1A receptor expressed in rat 1 fibroblast 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
Substance-P receptor (Homo sapiens (Human))	BDBM50415262 (CHEMBL589130) Show SMILES Cc1cc(F)ccc1C1CNCC2CN(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)C(=O)N12 Show InChI InChI=1S/C22H20F7N3O/c1-12-4-16(23)2-3-18(12)19-9-30-8-17-11-31(20(33)32(17)19)10-13-5-14(21(24,25)26)7-15(6-13)22(27,28)29/h2-7,17,19,30H,8-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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 Medicines Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 623-7 (2010) Article DOI: 10.1016/j.bmcl.2009.11.078 BindingDB Entry DOI: 10.7270/Q2H1338K
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50415263 (CHEMBL590833) Show SMILES Cc1cc(F)ccc1[C@H]1CNCCN1C(=O)N1CCCC1c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C24H24F7N3O/c1-14-9-18(25)4-5-19(14)21-13-32-6-8-34(21)22(35)33-7-2-3-20(33)15-10-16(23(26,27)28)12-17(11-15)24(29,30)31/h4-5,9-12,20-21,32H,2-3,6-8,13H2,1H3/t20?,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	63.1	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 NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 623-7 (2010) Article DOI: 10.1016/j.bmcl.2009.11.078 BindingDB Entry DOI: 10.7270/Q2H1338K
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50415263 (CHEMBL590833) Show SMILES Cc1cc(F)ccc1[C@H]1CNCCN1C(=O)N1CCCC1c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C24H24F7N3O/c1-14-9-18(25)4-5-19(14)21-13-32-6-8-34(21)22(35)33-7-2-3-20(33)15-10-16(23(26,27)28)12-17(11-15)24(29,30)31/h4-5,9-12,20-21,32H,2-3,6-8,13H2,1H3/t20?,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	63.1	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 NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 623-7 (2010) Article DOI: 10.1016/j.bmcl.2009.11.078 BindingDB Entry DOI: 10.7270/Q2H1338K
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50417393 (CHEMBL1289610) Show SMILES Cc1ncccc1N1C[C@@]2(CC[C@@H](CC2)c2nc3ccc(OC(F)(F)F)cc3[nH]2)OC1=O |r,wU:9.32,wD:12.16,(21.92,-28.06,;23.25,-28.84,;24.59,-28.08,;25.92,-28.86,;25.9,-30.4,;24.56,-31.16,;23.24,-30.37,;21.9,-31.12,;20.5,-30.48,;19.46,-31.62,;18.71,-32.97,;17.18,-33,;16.38,-31.68,;17.11,-30.33,;18.66,-30.3,;14.85,-31.71,;13.97,-32.98,;12.48,-32.54,;11.17,-33.34,;9.81,-32.61,;9.78,-31.06,;8.43,-30.32,;8.39,-28.78,;7.04,-28.05,;9.71,-27.98,;8.43,-27.24,;11.09,-30.26,;12.44,-30.99,;13.91,-30.48,;20.22,-32.95,;21.73,-32.65,;22.86,-33.7,)| Show InChI InChI=1S/C22H21F3N4O3/c1-13-18(3-2-10-26-13)29-12-21(32-20(29)30)8-6-14(7-9-21)19-27-16-5-4-15(11-17(16)28-19)31-22(23,24)25/h2-5,10-11,14H,6-9,12H2,1H3,(H,27,28)/t14-,21-	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	79.4	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
Substance-P receptor (Homo sapiens (Human))	BDBM50415266 (CHEMBL591076) Show SMILES Cc1cc(F)ccc1[C@H]1CNCCN1C(=O)N1CCCNC1c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C24H25F7N4O/c1-14-9-18(25)3-4-19(14)20-13-32-6-8-34(20)22(36)35-7-2-5-33-21(35)15-10-16(23(26,27)28)12-17(11-15)24(29,30)31/h3-4,9-12,20-21,32-33H,2,5-8,13H2,1H3/t20-,21?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 623-7 (2010) Article DOI: 10.1016/j.bmcl.2009.11.078 BindingDB Entry DOI: 10.7270/Q2H1338K
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50415266 (CHEMBL591076) Show SMILES Cc1cc(F)ccc1[C@H]1CNCCN1C(=O)N1CCCNC1c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C24H25F7N4O/c1-14-9-18(25)3-4-19(14)20-13-32-6-8-34(20)22(36)35-7-2-5-33-21(35)15-10-16(23(26,27)28)12-17(11-15)24(29,30)31/h3-4,9-12,20-21,32-33H,2,5-8,13H2,1H3/t20-,21?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 623-7 (2010) Article DOI: 10.1016/j.bmcl.2009.11.078 BindingDB Entry DOI: 10.7270/Q2H1338K
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50417391 (CHEMBL1290706) Show SMILES FC(F)(F)c1ccc2nc([nH]c2c1)N1CCC2(CN(C(=O)O2)c2ccccc2)CC1 Show InChI InChI=1S/C21H19F3N4O2/c22-21(23,24)14-6-7-16-17(12-14)26-18(25-16)27-10-8-20(9-11-27)13-28(19(29)30-20)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonistic activity at human alpha1A receptor expressed in rat 1 fibroblast 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
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50417392 (CHEMBL1289039) Show SMILES Fc1ccc2nc([nH]c2c1)N1CCC2(CN(C(=O)O2)c2ccccc2)CC1 Show InChI InChI=1S/C20H19FN4O2/c21-14-6-7-16-17(12-14)23-18(22-16)24-10-8-20(9-11-24)13-25(19(26)27-20)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonistic activity at human alpha1A receptor expressed in rat 1 fibroblast 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
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50417389 (CHEMBL1290707) Show SMILES O=C1OC2(CN1c1ccccc1)CCN(CC2)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C20H20N4O2/c25-19-24(15-6-2-1-3-7-15)14-20(26-19)10-12-23(13-11-20)18-21-16-8-4-5-9-17(16)22-18/h1-9H,10-14H2,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonistic activity at human alpha1A receptor expressed in rat 1 fibroblast 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
Alpha-1A adrenergic receptor (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	200	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 alpha1A receptor expressed in rat 1 fibroblast 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
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50417389 (CHEMBL1290707) Show SMILES O=C1OC2(CN1c1ccccc1)CCN(CC2)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C20H20N4O2/c25-19-24(15-6-2-1-3-7-15)14-20(26-19)10-12-23(13-11-20)18-21-16-8-4-5-9-17(16)22-18/h1-9H,10-14H2,(H,21,22)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	316	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
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50417388 (CHEMBL1289714) Show SMILES Fc1cccc(n1)N1C[C@@]2(CC[C@@H](CC2)c2nc3ccc(OC(F)(F)F)cc3[nH]2)OC1=O |r,wU:9.32,wD:12.16,(45.18,-25.24,;45.16,-26.78,;46.5,-27.56,;46.48,-29.1,;45.14,-29.86,;43.82,-29.07,;43.83,-27.54,;42.48,-29.82,;41.08,-29.18,;40.04,-30.32,;39.29,-31.66,;37.76,-31.7,;36.96,-30.38,;37.69,-29.03,;39.24,-29,;35.43,-30.41,;34.55,-31.68,;33.06,-31.24,;31.75,-32.04,;30.4,-31.3,;30.36,-29.76,;29.01,-29.02,;28.98,-27.48,;27.62,-26.75,;30.29,-26.68,;29.02,-25.94,;31.67,-28.96,;33.03,-29.69,;34.49,-29.18,;40.8,-31.65,;42.31,-31.35,;43.44,-32.39,)| Show InChI InChI=1S/C21H18F4N4O3/c22-16-2-1-3-17(28-16)29-11-20(32-19(29)30)8-6-12(7-9-20)18-26-14-5-4-13(10-15(14)27-18)31-21(23,24)25/h1-5,10,12H,6-9,11H2,(H,26,27)/t12-,20-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	501	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 alpha1A receptor expressed in rat 1 fibroblast 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
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50417387 (CHEMBL1289386) Show SMILES Fc1ccc(cc1)N1C[C@@]2(CC[C@@H](CC2)c2nc3ccc(OC(F)(F)F)cc3[nH]2)OC1=O |r,wU:9.32,wD:12.16,(48.29,-13.3,;46.95,-14.06,;46.93,-15.6,;45.59,-16.35,;44.26,-15.57,;44.28,-14.03,;45.61,-13.28,;42.93,-16.32,;41.53,-15.68,;40.48,-16.81,;39.74,-18.16,;38.21,-18.19,;37.41,-16.88,;38.14,-15.53,;39.68,-15.5,;35.87,-16.91,;34.99,-18.18,;33.51,-17.74,;32.19,-18.54,;30.84,-17.8,;30.81,-16.26,;29.46,-15.52,;29.42,-13.98,;28.07,-13.24,;30.74,-13.18,;29.46,-12.44,;32.12,-15.46,;33.47,-16.19,;34.93,-15.67,;41.24,-18.15,;42.75,-17.85,;43.88,-18.89,)| Show InChI InChI=1S/C22H19F4N3O3/c23-14-1-3-15(4-2-14)29-12-21(32-20(29)30)9-7-13(8-10-21)19-27-17-6-5-16(11-18(17)28-19)31-22(24,25)26/h1-6,11,13H,7-10,12H2,(H,27,28)/t13-,21-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	794	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 alpha1A receptor expressed in rat 1 fibroblast 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
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50417386 (CHEMBL1289268) Show SMILES Fc1ccccc1N1C[C@@]2(CC[C@@H](CC2)c2nc3ccc(OC(F)(F)F)cc3[nH]2)OC1=O |r,wU:9.32,wD:12.16,(21.81,-13.52,;23.13,-14.3,;24.47,-13.55,;25.8,-14.33,;25.78,-15.87,;24.44,-16.62,;23.12,-15.84,;21.78,-16.59,;20.39,-15.95,;19.34,-17.08,;18.6,-18.43,;17.06,-18.46,;16.27,-17.15,;17,-15.79,;18.54,-15.76,;14.73,-17.18,;13.85,-18.45,;12.37,-18.01,;11.05,-18.81,;9.7,-18.07,;9.67,-16.53,;8.32,-15.79,;8.28,-14.25,;6.93,-13.51,;9.59,-13.45,;8.32,-12.71,;10.98,-15.73,;12.33,-16.46,;13.79,-15.94,;20.1,-18.42,;21.61,-18.12,;22.74,-19.16,)| Show InChI InChI=1S/C22H19F4N3O3/c23-15-3-1-2-4-18(15)29-12-21(32-20(29)30)9-7-13(8-10-21)19-27-16-6-5-14(11-17(16)28-19)31-22(24,25)26/h1-6,11,13H,7-10,12H2,(H,27,28)/t13-,21-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	794	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 alpha1A receptor expressed in rat 1 fibroblast 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
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50417399 (CHEMBL1289936) Show SMILES FC(F)(F)c1ccc2nc([nH]c2c1)[C@H]1CC[C@@]2(CN(C(=O)O2)c2ccccn2)CC1 |r,wU:16.23,wD:13.14,(-11.58,-41.95,;-11.55,-43.49,;-12.86,-44.29,;-12.88,-42.71,;-10.19,-44.22,;-10.15,-45.77,;-8.8,-46.5,;-7.49,-45.7,;-6,-46.14,;-5.12,-44.87,;-6.06,-43.64,;-7.52,-44.15,;-8.88,-43.42,;-3.59,-44.84,;-2.79,-46.16,;-1.26,-46.13,;-.51,-44.78,;.53,-43.64,;1.93,-44.28,;1.75,-45.81,;2.89,-46.86,;.25,-46.11,;3.26,-43.53,;4.59,-44.32,;5.93,-43.57,;5.95,-42.03,;4.61,-41.24,;3.28,-42,;-1.31,-43.46,;-2.86,-43.49,)| Show InChI InChI=1S/C21H19F3N4O2/c22-21(23,24)14-4-5-15-16(11-14)27-18(26-15)13-6-8-20(9-7-13)12-28(19(29)30-20)17-3-1-2-10-25-17/h1-5,10-11,13H,6-9,12H2,(H,26,27)/t13-,20-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.26E+3	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 alpha1A receptor expressed in rat 1 fibroblast 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
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50417405 (CHEMBL1289267) Show SMILES FC(F)(F)Oc1ccc2nc([nH]c2c1)[C@H]1CC[C@@]2(CN(C(=O)O2)c2ccccc2)CC1 |r,wU:17.24,wD:14.15,(-14.1,-12.22,;-12.74,-12.96,;-11.43,-12.16,;-12.7,-11.42,;-12.72,-14.5,;-11.36,-15.24,;-11.32,-16.78,;-9.97,-17.52,;-8.66,-16.71,;-7.17,-17.16,;-6.29,-15.88,;-7.23,-14.65,;-8.69,-15.17,;-10.04,-14.44,;-4.76,-15.85,;-3.96,-17.17,;-2.43,-17.14,;-1.69,-15.79,;-.64,-14.66,;.76,-15.3,;.58,-16.83,;1.71,-17.87,;-.93,-17.13,;2.09,-14.55,;3.41,-15.33,;4.75,-14.58,;4.77,-13.04,;3.44,-12.26,;2.1,-13.01,;-2.48,-14.47,;-4.03,-14.5,)| Show InChI InChI=1S/C22H20F3N3O3/c23-22(24,25)30-16-6-7-17-18(12-16)27-19(26-17)14-8-10-21(11-9-14)13-28(20(29)31-21)15-4-2-1-3-5-15/h1-7,12,14H,8-11,13H2,(H,26,27)/t14-,21-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.26E+3	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 alpha1A receptor expressed in rat 1 fibroblast 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
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50417404 (CHEMBL1289609) Show SMILES Cc1cccc(n1)N1C[C@@]2(CC[C@@H](CC2)c2nc3ccc(OC(F)(F)F)cc3[nH]2)OC1=O |r,wU:9.32,wD:12.16,(4.72,-25.12,;4.71,-26.66,;6.04,-27.44,;6.02,-28.99,;4.68,-29.74,;3.36,-28.95,;3.37,-27.42,;2.02,-29.7,;.63,-29.06,;-.42,-30.2,;-1.16,-31.54,;-2.7,-31.58,;-3.49,-30.26,;-2.76,-28.91,;-1.22,-28.88,;-5.03,-30.29,;-5.91,-31.56,;-7.39,-31.12,;-8.71,-31.92,;-10.06,-31.19,;-10.09,-29.64,;-11.46,-28.9,;-11.48,-27.37,;-12.84,-26.63,;-10.17,-26.56,;-11.44,-25.82,;-8.78,-28.84,;-7.43,-29.57,;-5.97,-29.06,;.34,-31.53,;1.85,-31.23,;2.98,-32.28,)| Show InChI InChI=1S/C22H21F3N4O3/c1-13-3-2-4-18(26-13)29-12-21(32-20(29)30)9-7-14(8-10-21)19-27-16-6-5-15(11-17(16)28-19)31-22(23,24)25/h2-6,11,14H,7-10,12H2,1H3,(H,27,28)/t14-,21-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.58E+3	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 alpha1A receptor expressed in rat 1 fibroblast 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
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50417402 (CHEMBL1289820) Show SMILES FC(F)(F)c1ccc2nc([nH]c2c1)[C@H]1CC[C@@]2(CN(C(=O)O2)c2ccccc2)CC1 |r,wU:16.23,wD:13.14,(28.53,-36.29,;28.56,-37.83,;27.25,-38.63,;27.22,-37.06,;29.91,-38.57,;29.95,-40.11,;31.3,-40.85,;32.61,-40.05,;34.1,-40.49,;34.98,-39.22,;34.04,-37.99,;32.58,-38.5,;31.22,-37.77,;36.51,-39.19,;37.31,-40.51,;38.84,-40.47,;39.59,-39.12,;40.63,-37.99,;42.03,-38.63,;41.86,-40.16,;42.99,-41.2,;40.35,-40.46,;43.37,-37.88,;44.69,-38.67,;46.03,-37.91,;46.05,-36.37,;44.71,-35.59,;43.38,-36.35,;38.79,-37.81,;37.24,-37.84,)| Show InChI InChI=1S/C22H20F3N3O2/c23-22(24,25)15-6-7-17-18(12-15)27-19(26-17)14-8-10-21(11-9-14)13-28(20(29)30-21)16-4-2-1-3-5-16/h1-7,12,14H,8-11,13H2,(H,26,27)/t14-,21-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	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 alpha1A receptor expressed in rat 1 fibroblast 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
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50417408 (CHEMBL1289503) Show SMILES FC(F)(F)Oc1ccc2nc([nH]c2c1)[C@H]1CC[C@@]2(CN(C(=O)O2)c2ccccn2)CC1 |r,wU:17.24,wD:14.15,(27.51,-20,;28.86,-20.74,;30.17,-19.93,;28.9,-19.19,;28.9,-22.27,;30.25,-23.01,;30.28,-24.56,;31.63,-25.29,;32.95,-24.49,;34.43,-24.93,;35.31,-23.66,;34.37,-22.43,;32.91,-22.94,;31.56,-22.21,;36.84,-23.63,;37.64,-24.95,;39.18,-24.92,;39.92,-23.57,;40.97,-22.43,;42.36,-23.07,;42.19,-24.6,;43.32,-25.65,;40.68,-24.9,;43.7,-22.32,;45.02,-23.11,;46.36,-22.36,;46.38,-20.81,;45.05,-20.03,;43.71,-20.79,;39.12,-22.25,;37.58,-22.28,)| Show InChI InChI=1S/C21H19F3N4O3/c22-21(23,24)30-14-4-5-15-16(11-14)27-18(26-15)13-6-8-20(9-7-13)12-28(19(29)31-20)17-3-1-2-10-25-17/h1-5,10-11,13H,6-9,12H2,(H,26,27)/t13-,20-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	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 alpha1A receptor expressed in rat 1 fibroblast 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
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50417395 (CHEMBL1289715) Show SMILES FC(F)(F)Oc1ccc2nc([nH]c2c1)[C@H]1CC[C@@]2(CN(C(=O)O2)c2cccnc2)CC1 |r,wU:17.24,wD:14.15,(-12.77,-33.88,;-11.41,-34.62,;-10.09,-33.81,;-11.37,-33.07,;-11.39,-36.15,;-10.02,-36.89,;-9.99,-38.43,;-8.64,-39.17,;-7.32,-38.37,;-5.84,-38.81,;-4.96,-37.54,;-5.9,-36.31,;-7.36,-36.82,;-8.71,-36.09,;-3.42,-37.51,;-2.63,-38.83,;-1.09,-38.79,;-.35,-37.45,;.7,-36.31,;2.09,-36.95,;1.92,-38.48,;3.05,-39.52,;.41,-38.78,;3.43,-36.2,;4.75,-36.99,;6.09,-36.23,;6.11,-34.69,;4.78,-33.91,;3.44,-34.67,;-1.15,-36.13,;-2.69,-36.16,)| Show InChI InChI=1S/C21H19F3N4O3/c22-21(23,24)30-15-3-4-16-17(10-15)27-18(26-16)13-5-7-20(8-6-13)12-28(19(29)31-20)14-2-1-9-25-11-14/h1-4,9-11,13H,5-8,12H2,(H,26,27)/t13-,20-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.51E+3	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 alpha1A receptor expressed in rat 1 fibroblast 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
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50417403 (CHEMBL1290038) Show SMILES Fc1ccc(cc1)N1C[C@@]2(CC[C@@H](CC2)c2nc3ccc(cc3[nH]2)C#N)OC1=O |r,wU:9.29,wD:12.16,(8.45,-40.09,;7.11,-40.85,;7.09,-42.39,;5.75,-43.14,;4.42,-42.35,;4.44,-40.82,;5.77,-40.06,;3.09,-43.11,;1.69,-42.46,;.65,-43.6,;-.1,-44.95,;-1.63,-44.98,;-2.43,-43.66,;-1.7,-42.31,;-.15,-42.28,;-3.96,-43.69,;-4.85,-44.97,;-6.33,-44.52,;-7.64,-45.33,;-8.99,-44.59,;-9.03,-43.05,;-7.72,-42.24,;-6.37,-42.98,;-4.9,-42.46,;-10.38,-42.31,;-11.72,-41.54,;1.41,-44.94,;2.91,-44.64,;4.05,-45.68,)| Show InChI InChI=1S/C22H19FN4O2/c23-16-2-4-17(5-3-16)27-13-22(29-21(27)28)9-7-15(8-10-22)20-25-18-6-1-14(12-24)11-19(18)26-20/h1-6,11,15H,7-10,13H2,(H,25,26)/t15-,22-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.51E+3	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 alpha1A receptor expressed in rat 1 fibroblast 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

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