Compile Data Set for Download or QSAR

Found 315 hits with Last Name = 'sabio' and Initial = 'm'   

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
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50027663 (1-(9H-Carbazol-4-yloxy)-3-isopropylamino-propan-2-...) Show SMILES CC(C)NCC(O)COc1cccc2[nH]c3ccccc3c12 Show InChI InChI=1S/C18H22N2O2/c1-12(2)19-10-13(21)11-22-17-9-5-8-16-18(17)14-6-3-4-7-15(14)20-16/h3-9,12-13,19-21H,10-11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.114	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lundbeck Research USA, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DHA from human beta2 adrenoceptor by liquid scintillation counter				Bioorg Med Chem Lett 18: 5391-5 (2008) Article DOI: 10.1016/j.bmcl.2008.09.046 BindingDB Entry DOI: 10.7270/Q2FB52RP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50274012 (1-tert-Butylamino-3-(dibenzofuran-1-yloxy)-propan-...) Show SMILES CC(C)(C)NCC(O)COc1cccc2oc3ccccc3c12 Show InChI InChI=1S/C19H23NO3/c1-19(2,3)20-11-13(21)12-22-16-9-6-10-17-18(16)14-7-4-5-8-15(14)23-17/h4-10,13,20-21H,11-12H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.145	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lundbeck Research USA, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DHA from human beta2 adrenoceptor by liquid scintillation counter				Bioorg Med Chem Lett 18: 5391-5 (2008) Article DOI: 10.1016/j.bmcl.2008.09.046 BindingDB Entry DOI: 10.7270/Q2FB52RP
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50274013 (1-(4-benzhydrylpiperazin-1-yl)-3-(3-methyl-1H-indo...) Show SMILES Cc1c[nH]c2cccc(OCC(O)CN3CCN(CC3)C(c3ccccc3)c3ccccc3)c12 Show InChI InChI=1S/C29H33N3O2/c1-22-19-30-26-13-8-14-27(28(22)26)34-21-25(33)20-31-15-17-32(18-16-31)29(23-9-4-2-5-10-23)24-11-6-3-7-12-24/h2-14,19,25,29-30,33H,15-18,20-21H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.311	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lundbeck Research USA, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DHA from human beta2 adrenoceptor by liquid scintillation counter				Bioorg Med Chem Lett 18: 5391-5 (2008) Article DOI: 10.1016/j.bmcl.2008.09.046 BindingDB Entry DOI: 10.7270/Q2FB52RP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM109106 (US8609852, 13) Show SMILES Cc1nc(cs1)C#Cc1cnc(nc1)-c1ccccc1C Show InChI InChI=1S/C17H13N3S/c1-12-5-3-4-6-16(12)17-18-9-14(10-19-17)7-8-15-11-21-13(2)20-15/h3-6,9-11H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of [3H]methoxymethyl-3-[(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridine from mGlu5R in rat brain membranes				Bioorg Med Chem Lett 26: 484-94 (2016) Article DOI: 10.1016/j.bmcl.2015.11.087 BindingDB Entry DOI: 10.7270/Q21C1ZQ3
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM109136 (US8609852, 43) Show SMILES Cc1nc(cs1)C#Cc1cncc(c1)-c1cccc(Cl)c1 Show InChI InChI=1S/C17H11ClN2S/c1-12-20-17(11-21-12)6-5-13-7-15(10-19-9-13)14-3-2-4-16(18)8-14/h2-4,7-11H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of [3H]methoxymethyl-3-[(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridine from mGlu5R in rat brain membranes				Bioorg Med Chem Lett 26: 484-94 (2016) Article DOI: 10.1016/j.bmcl.2015.11.087 BindingDB Entry DOI: 10.7270/Q21C1ZQ3
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50449332 (CHEMBL3126041) Show SMILES Fc1cc(F)cc(c1)-c1ccc(NC(=O)[C@@H]2CC[C@@H](CC2)N2CCCCC2=O)nc1 |r,wU:15.15,18.22,(18.54,-26.36,;19.31,-25.02,;18.54,-23.7,;19.31,-22.36,;18.54,-21.02,;20.85,-22.36,;21.62,-23.7,;20.85,-25.02,;23.16,-23.7,;23.93,-22.36,;25.47,-22.36,;26.24,-23.7,;27.78,-23.7,;28.55,-25.02,;27.78,-26.36,;30.1,-25.02,;30.87,-26.36,;32.41,-26.36,;33.18,-25.02,;32.41,-23.7,;30.87,-23.7,;34.72,-25.02,;35.49,-23.7,;37.03,-23.7,;37.8,-25.02,;37.03,-26.36,;35.49,-26.36,;34.72,-27.7,;25.47,-25.02,;23.93,-25.02,)| Show InChI InChI=1S/C23H25F2N3O2/c24-18-11-17(12-19(25)13-18)16-6-9-21(26-14-16)27-23(30)15-4-7-20(8-5-15)28-10-2-1-3-22(28)29/h6,9,11-15,20H,1-5,7-8,10H2,(H,26,27,30)/t15-,20+	KEGG UniProtKB/SwissProt 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
Lundbeck Research USA, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]PYY from human NPY5 receptor transfected in LM(tk-) cell membranes after 120 mins by solid scintillation counting				Bioorg Med Chem Lett 24: 1458-61 (2014) Article DOI: 10.1016/j.bmcl.2014.02.023 BindingDB Entry DOI: 10.7270/Q2S75HT1
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50449331 (CHEMBL3126043) Show SMILES C[C@@H]1CN([C@H]2CC[C@H](CC2)C(=O)Nc2ccc(cn2)-c2cc(F)cc(F)c2)C(=O)O1 |r,wU:7.10,1.0,4.3,(23.3,-26.17,;22.05,-27.08,;20.58,-26.6,;19.68,-27.85,;18.14,-27.85,;17.37,-29.19,;15.83,-29.19,;15.06,-27.85,;15.83,-26.51,;17.37,-26.51,;13.52,-27.85,;12.75,-26.51,;12.75,-29.19,;11.21,-29.19,;10.44,-27.85,;8.9,-27.85,;8.13,-29.19,;8.9,-30.51,;10.44,-30.51,;6.59,-29.19,;5.82,-27.85,;4.28,-27.85,;3.51,-26.51,;3.51,-29.19,;4.28,-30.51,;3.51,-31.85,;5.82,-30.51,;20.58,-29.09,;20.11,-30.57,;22.05,-28.62,)| Show InChI InChI=1S/C22H23F2N3O3/c1-13-12-27(22(29)30-13)19-5-2-14(3-6-19)21(28)26-20-7-4-15(11-25-20)16-8-17(23)10-18(24)9-16/h4,7-11,13-14,19H,2-3,5-6,12H2,1H3,(H,25,26,28)/t13-,14-,19+/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lundbeck Research USA, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]PYY from human NPY5 receptor transfected in LM(tk-) cell membranes after 120 mins by solid scintillation counting				Bioorg Med Chem Lett 24: 1458-61 (2014) Article DOI: 10.1016/j.bmcl.2014.02.023 BindingDB Entry DOI: 10.7270/Q2S75HT1
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50084137 (2-Methyl-6-(phenylethynyl)pyridine | 2-Methyl-6-ph...) Show SMILES Cc1cccc(n1)C#Cc1ccccc1 Show InChI InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of [3H]-M-MPEP from mGluR5 StaR domain (569 to 836 residues) (unknown origin) expressed in HEK293 cell membranes				Bioorg Med Chem Lett 26: 484-94 (2016) Article DOI: 10.1016/j.bmcl.2015.11.087 BindingDB Entry DOI: 10.7270/Q21C1ZQ3
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50449330 (CHEMBL3126045) Show SMILES CC(C)(C)C1CN([C@H]2CC[C@H](CC2)C(=O)Nc2ccc(cn2)-c2cc(F)cc(F)c2)C(=O)O1 |r,wU:10.13,7.6,(33.32,-25.01,;31.91,-24.38,;31.75,-22.85,;33.24,-23.6,;30.67,-25.29,;29.2,-24.81,;28.29,-26.06,;26.75,-26.06,;25.98,-27.38,;24.44,-27.38,;23.67,-26.06,;24.44,-24.72,;25.98,-24.72,;22.13,-26.06,;21.36,-24.72,;21.36,-27.38,;19.82,-27.38,;19.05,-28.72,;17.51,-28.72,;16.74,-27.38,;17.51,-26.06,;19.05,-26.06,;15.2,-27.38,;14.43,-26.06,;12.89,-26.06,;12.12,-24.72,;12.12,-27.38,;12.89,-28.72,;12.12,-30.06,;14.43,-28.72,;29.2,-27.3,;28.72,-28.76,;30.67,-26.83,)| Show InChI InChI=1S/C25H29F2N3O3/c1-25(2,3)21-14-30(24(32)33-21)20-7-4-15(5-8-20)23(31)29-22-9-6-16(13-28-22)17-10-18(26)12-19(27)11-17/h6,9-13,15,20-21H,4-5,7-8,14H2,1-3H3,(H,28,29,31)/t15-,20+,21?	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lundbeck Research USA, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]PYY from human NPY5 receptor transfected in LM(tk-) cell membranes after 120 mins by solid scintillation counting				Bioorg Med Chem Lett 24: 1458-61 (2014) Article DOI: 10.1016/j.bmcl.2014.02.023 BindingDB Entry DOI: 10.7270/Q2S75HT1
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50449327 (CHEMBL3126039) Show SMILES Fc1cc(F)cc(c1)-c1cnc(NC(=O)[C@@H]2CC[C@@H](CC2)N2CCCC2=O)nc1 |r,wU:15.15,18.22,(18.08,-29.04,;18.85,-27.7,;18.08,-26.37,;18.85,-25.03,;18.08,-23.7,;20.39,-25.03,;21.16,-26.37,;20.39,-27.7,;22.7,-26.37,;23.47,-25.03,;25.01,-25.03,;25.78,-26.37,;27.32,-26.37,;28.09,-27.7,;27.39,-29.08,;29.63,-27.62,;30.46,-28.91,;32,-28.84,;32.7,-27.46,;31.87,-26.17,;30.32,-26.25,;34.24,-27.38,;35.09,-26.08,;36.57,-26.49,;36.65,-28.02,;35.21,-28.58,;34.81,-30.07,;25.01,-27.7,;23.47,-27.7,)| Show InChI InChI=1S/C21H22F2N4O2/c22-16-8-14(9-17(23)10-16)15-11-24-21(25-12-15)26-20(29)13-3-5-18(6-4-13)27-7-1-2-19(27)28/h8-13,18H,1-7H2,(H,24,25,26,29)/t13-,18+	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lundbeck Research USA, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]PYY from human NPY5 receptor transfected in LM(tk-) cell membranes after 120 mins by solid scintillation counting				Bioorg Med Chem Lett 24: 1458-61 (2014) Article DOI: 10.1016/j.bmcl.2014.02.023 BindingDB Entry DOI: 10.7270/Q2S75HT1
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50449328 (CHEMBL3126047) Show SMILES CN1CCN([C@H]2CC[C@H](CC2)C(=O)Nc2ccc(cn2)-c2cc(F)cc(F)c2)C1=O |r,wU:8.11,5.4,(36.9,-26.87,;35.62,-27.72,;35.55,-29.25,;34.07,-29.66,;33.22,-28.38,;31.68,-28.31,;30.86,-29.61,;29.32,-29.55,;28.61,-28.18,;29.44,-26.88,;30.97,-26.95,;27.07,-28.11,;26.36,-26.74,;26.25,-29.41,;24.71,-29.34,;23.88,-30.64,;22.35,-30.57,;21.64,-29.21,;22.47,-27.91,;24,-27.97,;20.1,-29.14,;19.39,-27.77,;17.86,-27.7,;17.15,-26.34,;17.03,-29,;17.74,-30.37,;16.91,-31.66,;19.27,-30.44,;34.18,-27.18,;33.76,-25.7,)| Show InChI InChI=1S/C22H24F2N4O2/c1-27-8-9-28(22(27)30)19-5-2-14(3-6-19)21(29)26-20-7-4-15(13-25-20)16-10-17(23)12-18(24)11-16/h4,7,10-14,19H,2-3,5-6,8-9H2,1H3,(H,25,26,29)/t14-,19+	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lundbeck Research USA, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]PYY from human NPY5 receptor transfected in LM(tk-) cell membranes after 120 mins by solid scintillation counting				Bioorg Med Chem Lett 24: 1458-61 (2014) Article DOI: 10.1016/j.bmcl.2014.02.023 BindingDB Entry DOI: 10.7270/Q2S75HT1
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50449329 (CHEMBL3126046) Show SMILES Fc1cc(F)cc(c1)-c1ccc(NC(=O)[C@@H]2CC[C@@H](CC2)N2CCNC2=O)nc1 |r,wU:15.15,18.22,(13.81,-25.74,;14.58,-27.07,;13.81,-28.41,;14.58,-29.74,;13.81,-31.07,;16.12,-29.74,;16.89,-28.41,;16.12,-27.07,;18.43,-28.41,;19.2,-29.74,;20.74,-29.74,;21.51,-28.41,;23.05,-28.41,;23.82,-27.07,;23.05,-25.74,;25.36,-27.07,;26.13,-28.41,;27.67,-28.41,;28.44,-27.07,;27.67,-25.74,;26.13,-25.74,;29.98,-27.07,;30.88,-28.32,;32.35,-27.84,;32.35,-26.3,;30.88,-25.82,;30.41,-24.37,;20.74,-27.07,;19.2,-27.07,)| Show InChI InChI=1S/C21H22F2N4O2/c22-16-9-15(10-17(23)11-16)14-3-6-19(25-12-14)26-20(28)13-1-4-18(5-2-13)27-8-7-24-21(27)29/h3,6,9-13,18H,1-2,4-5,7-8H2,(H,24,29)(H,25,26,28)/t13-,18+	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lundbeck Research USA, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]PYY from human NPY5 receptor transfected in LM(tk-) cell membranes after 120 mins by solid scintillation counting				Bioorg Med Chem Lett 24: 1458-61 (2014) Article DOI: 10.1016/j.bmcl.2014.02.023 BindingDB Entry DOI: 10.7270/Q2S75HT1
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50443085 (AFQ056 | Mavoglurant) Show SMILES COC(=O)N1CC[C@@H]2[C@H]1CCC[C@@]2(O)C#Cc1cccc(C)c1 |r| Show InChI InChI=1S/C19H23NO3/c1-14-5-3-6-15(13-14)8-11-19(22)10-4-7-17-16(19)9-12-20(17)18(21)23-2/h3,5-6,13,16-17,22H,4,7,9-10,12H2,1-2H3/t16-,17-,19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of [3H]-M-MPEP from mGluR5 StaR domain (569 to 836 residues) (unknown origin) expressed in HEK293 cell membranes				Bioorg Med Chem Lett 26: 484-94 (2016) Article DOI: 10.1016/j.bmcl.2015.11.087 BindingDB Entry DOI: 10.7270/Q21C1ZQ3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50449326 (CHEMBL3126040) Show SMILES Fc1cc(F)cc(c1)-c1cnc(NC(=O)[C@@H]2CC[C@@H](CC2)N2CCCC2=O)cn1 |r,wU:15.15,18.22,(14.68,-24.91,;15.45,-23.57,;14.68,-22.24,;15.45,-20.91,;14.68,-19.58,;16.99,-20.91,;17.76,-22.24,;16.99,-23.57,;19.3,-22.24,;20.08,-23.57,;21.62,-23.57,;22.39,-22.24,;23.93,-22.24,;24.7,-23.57,;24,-24.95,;26.24,-23.5,;27.07,-24.79,;28.61,-24.71,;29.31,-23.33,;28.48,-22.04,;26.93,-22.13,;30.85,-23.26,;31.69,-21.96,;33.18,-22.36,;33.26,-23.9,;31.82,-24.46,;31.42,-25.94,;21.62,-20.91,;20.08,-20.91,)| Show InChI InChI=1S/C21H22F2N4O2/c22-15-8-14(9-16(23)10-15)18-11-25-19(12-24-18)26-21(29)13-3-5-17(6-4-13)27-7-1-2-20(27)28/h8-13,17H,1-7H2,(H,25,26,29)/t13-,17+	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lundbeck Research USA, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]PYY from human NPY5 receptor transfected in LM(tk-) cell membranes after 120 mins by solid scintillation counting				Bioorg Med Chem Lett 24: 1458-61 (2014) Article DOI: 10.1016/j.bmcl.2014.02.023 BindingDB Entry DOI: 10.7270/Q2S75HT1
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50143540 (CHEMBL3759750) Show SMILES Cc1cccc(n1)C(=O)NC12CC3CC(C1)CC(C3)(C2)NC(=O)c1cccc(C)n1 |TLB:15:10:13.14.16:18,20:17:13:11.15.10,THB:15:14:18:11.10.19,19:10:13:16.17.18,19:17:13:11.15.10,9:10:13:16.17.18,9:10:13.14.16:18| Show InChI InChI=1S/C24H28N4O2/c1-15-5-3-7-19(25-15)21(29)27-23-10-17-9-18(11-23)13-24(12-17,14-23)28-22(30)20-8-4-6-16(2)26-20/h3-8,17-18H,9-14H2,1-2H3,(H,27,29)(H,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of [3H]methoxy-PEPgamma from mGluR5 in rat cerebral cortex membranes after 60 mins by scintillation counting analysis				Bioorg Med Chem Lett 26: 484-94 (2016) Article DOI: 10.1016/j.bmcl.2015.11.087 BindingDB Entry DOI: 10.7270/Q21C1ZQ3
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50449325 (CHEMBL3126044) Show SMILES C[C@H]1CN([C@H]2CC[C@H](CC2)C(=O)Nc2ccc(cn2)-c2cc(F)cc(F)c2)C(=O)O1 |r,wU:7.10,4.3,wD:1.0,(24.06,-26.45,;22.81,-27.35,;21.34,-26.87,;20.44,-28.12,;18.9,-28.12,;18.13,-29.45,;16.59,-29.45,;15.82,-28.12,;16.59,-26.79,;18.13,-26.79,;14.28,-28.12,;13.51,-26.79,;13.51,-29.45,;11.97,-29.45,;11.2,-28.12,;9.66,-28.12,;8.89,-29.45,;9.66,-30.79,;11.2,-30.79,;7.35,-29.45,;6.58,-28.12,;5.04,-28.12,;4.27,-26.79,;4.27,-29.45,;5.04,-30.79,;4.27,-32.12,;6.58,-30.79,;21.34,-29.37,;20.87,-30.83,;22.81,-28.89,)| Show InChI InChI=1S/C22H23F2N3O3/c1-13-12-27(22(29)30-13)19-5-2-14(3-6-19)21(28)26-20-7-4-15(11-25-20)16-8-17(23)10-18(24)9-16/h4,7-11,13-14,19H,2-3,5-6,12H2,1H3,(H,25,26,28)/t13-,14-,19+/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lundbeck Research USA, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]PYY from human NPY5 receptor transfected in LM(tk-) cell membranes after 120 mins by solid scintillation counting				Bioorg Med Chem Lett 24: 1458-61 (2014) Article DOI: 10.1016/j.bmcl.2014.02.023 BindingDB Entry DOI: 10.7270/Q2S75HT1
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50449323 (CHEMBL3126053) Show SMILES Fc1cc(F)cc(c1)-c1ccc(NC(=O)[C@@H]2CC[C@@H](CC2)N2CCCC2=O)nc1 |r,wU:18.22,15.15,(5.33,-14.93,;6.16,-13.64,;5.46,-12.27,;6.29,-10.97,;5.58,-9.6,;7.83,-11.04,;8.53,-12.41,;7.7,-13.71,;10.07,-12.49,;10.78,-13.86,;12.32,-13.93,;13.15,-12.63,;14.69,-12.71,;15.52,-11.41,;14.88,-10,;17.05,-11.56,;17.68,-12.97,;19.22,-13.12,;20.12,-11.88,;19.48,-10.46,;17.95,-10.32,;21.65,-12.02,;22.42,-13.36,;23.92,-13.03,;24.08,-11.5,;22.67,-10.88,;22.34,-9.37,;12.45,-11.26,;10.91,-11.19,)| Show InChI InChI=1S/C22H23F2N3O2/c23-17-10-16(11-18(24)12-17)15-5-8-20(25-13-15)26-22(29)14-3-6-19(7-4-14)27-9-1-2-21(27)28/h5,8,10-14,19H,1-4,6-7,9H2,(H,25,26,29)/t14-,19+	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lundbeck Research USA, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]PYY from human NPY5 receptor transfected in LM(tk-) cell membranes after 120 mins by solid scintillation counting				Bioorg Med Chem Lett 24: 1458-61 (2014) Article DOI: 10.1016/j.bmcl.2014.02.023 BindingDB Entry DOI: 10.7270/Q2S75HT1
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50449324 (CHEMBL3126042) Show SMILES Fc1cc(F)cc(c1)-c1ccc(NC(=O)[C@@H]2CC[C@@H](CC2)N2CCOC2=O)nc1 |r,wU:15.15,18.22,(16.56,-26.33,;17.33,-24.99,;16.56,-23.66,;17.33,-22.33,;16.56,-21,;18.87,-22.33,;19.64,-23.66,;18.87,-24.99,;21.18,-23.66,;21.95,-22.33,;23.49,-22.33,;24.26,-23.66,;25.8,-23.66,;26.57,-24.99,;25.8,-26.33,;28.11,-24.99,;28.88,-26.33,;30.42,-26.33,;31.19,-24.99,;30.42,-23.66,;28.88,-23.66,;32.73,-24.99,;33.63,-26.24,;35.1,-25.76,;35.1,-24.22,;33.63,-23.75,;33.15,-22.29,;23.49,-24.99,;21.95,-24.99,)| Show InChI InChI=1S/C21H21F2N3O3/c22-16-9-15(10-17(23)11-16)14-3-6-19(24-12-14)25-20(27)13-1-4-18(5-2-13)26-7-8-29-21(26)28/h3,6,9-13,18H,1-2,4-5,7-8H2,(H,24,25,27)/t13-,18+	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lundbeck Research USA, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]PYY from human NPY5 receptor transfected in LM(tk-) cell membranes after 120 mins by solid scintillation counting				Bioorg Med Chem Lett 24: 1458-61 (2014) Article DOI: 10.1016/j.bmcl.2014.02.023 BindingDB Entry DOI: 10.7270/Q2S75HT1
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50449321 (CHEMBL3126052) Show SMILES Fc1cc(F)cc(c1)-c1ccc(NC(=O)[C@@H]2CC[C@@H](CC2)N2CCN(C3CC3)C2=O)nc1 |r,wU:15.15,18.22,(10.52,-42.21,;11.28,-43.54,;10.49,-44.87,;11.25,-46.21,;10.46,-47.53,;12.79,-46.23,;13.57,-44.9,;12.82,-43.56,;15.11,-44.92,;15.87,-46.27,;17.41,-46.28,;18.19,-44.96,;19.73,-44.98,;20.52,-43.65,;19.76,-42.31,;22.06,-43.67,;22.81,-45.01,;24.35,-45.03,;25.14,-43.7,;24.38,-42.36,;22.84,-42.35,;26.68,-43.72,;27.57,-44.98,;29.04,-44.52,;29.05,-42.98,;30.31,-42.08,;30.95,-40.69,;31.84,-41.94,;27.59,-42.49,;27.14,-41.02,;17.44,-43.61,;15.9,-43.6,)| Show InChI InChI=1S/C24H26F2N4O2/c25-18-11-17(12-19(26)13-18)16-3-8-22(27-14-16)28-23(31)15-1-4-20(5-2-15)29-9-10-30(24(29)32)21-6-7-21/h3,8,11-15,20-21H,1-2,4-7,9-10H2,(H,27,28,31)/t15-,20+	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lundbeck Research USA, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]PYY from human NPY5 receptor transfected in LM(tk-) cell membranes after 120 mins by solid scintillation counting				Bioorg Med Chem Lett 24: 1458-61 (2014) Article DOI: 10.1016/j.bmcl.2014.02.023 BindingDB Entry DOI: 10.7270/Q2S75HT1
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50449322 (CHEMBL3126048) Show SMILES Fc1cc(F)cc(c1)-c1ccc(NC(=O)[C@@H]2CC[C@@H](CC2)N2CCCNC2=O)nc1 |r,wU:15.15,18.22,(20.67,-38.97,;21.44,-40.29,;20.68,-41.63,;21.45,-42.96,;20.69,-44.3,;22.99,-42.96,;23.75,-41.62,;22.98,-40.29,;25.29,-41.61,;26.07,-42.95,;27.6,-42.94,;28.37,-41.6,;29.91,-41.6,;30.67,-40.26,;29.9,-38.94,;32.22,-40.25,;32.99,-41.59,;34.53,-41.58,;35.29,-40.24,;34.52,-38.92,;32.98,-38.92,;36.83,-40.24,;37.6,-41.57,;39.14,-41.56,;39.91,-40.23,;39.13,-38.9,;37.6,-38.91,;36.82,-37.58,;27.6,-40.27,;26.06,-40.28,)| Show InChI InChI=1S/C22H24F2N4O2/c23-17-10-16(11-18(24)12-17)15-4-7-20(26-13-15)27-21(29)14-2-5-19(6-3-14)28-9-1-8-25-22(28)30/h4,7,10-14,19H,1-3,5-6,8-9H2,(H,25,30)(H,26,27,29)/t14-,19+	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lundbeck Research USA, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]PYY from human NPY5 receptor transfected in LM(tk-) cell membranes after 120 mins by solid scintillation counting				Bioorg Med Chem Lett 24: 1458-61 (2014) Article DOI: 10.1016/j.bmcl.2014.02.023 BindingDB Entry DOI: 10.7270/Q2S75HT1
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50449320 (CHEMBL3126050) Show SMILES CCN1CCN([C@H]2CC[C@H](CC2)C(=O)Nc2ccc(cn2)-c2cc(F)cc(F)c2)C1=O |r,wU:9.12,6.5,(35.65,-39.74,;34.26,-39.09,;33,-39.97,;32.97,-41.51,;31.5,-41.95,;30.61,-40.69,;29.07,-40.67,;28.27,-41.99,;26.73,-41.96,;25.99,-40.61,;26.78,-39.29,;28.32,-39.31,;24.45,-40.58,;23.7,-39.23,;23.65,-41.9,;22.11,-41.87,;21.32,-43.18,;19.78,-43.15,;19.03,-41.81,;19.83,-40.49,;21.37,-40.52,;17.49,-41.78,;16.75,-40.43,;15.21,-40.4,;14.47,-39.05,;14.41,-41.72,;15.16,-43.07,;14.36,-44.39,;16.7,-43.1,;31.54,-39.46,;31.09,-38,)| Show InChI InChI=1S/C23H26F2N4O2/c1-2-28-9-10-29(23(28)31)20-6-3-15(4-7-20)22(30)27-21-8-5-16(14-26-21)17-11-18(24)13-19(25)12-17/h5,8,11-15,20H,2-4,6-7,9-10H2,1H3,(H,26,27,30)/t15-,20+	KEGG UniProtKB/SwissProt 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
Lundbeck Research USA, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]PYY from human NPY5 receptor transfected in LM(tk-) cell membranes after 120 mins by solid scintillation counting				Bioorg Med Chem Lett 24: 1458-61 (2014) Article DOI: 10.1016/j.bmcl.2014.02.023 BindingDB Entry DOI: 10.7270/Q2S75HT1
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50154977 (2-{2-[3-fluoro-5-(pyridin-3-yloxy)phenyl]-2H-tetra...) Show SMILES Fc1cc(Oc2cccnc2)cc(c1)-n1nnc(n1)-c1ccccn1 Show InChI InChI=1S/C17H11FN6O/c18-12-8-13(10-15(9-12)25-14-4-3-6-19-11-14)24-22-17(21-23-24)16-5-1-2-7-20-16/h1-11H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from mGlu5R in rat cortical membranes by liquid scintillation spectrometric analysis				Bioorg Med Chem Lett 26: 484-94 (2016) Article DOI: 10.1016/j.bmcl.2015.11.087 BindingDB Entry DOI: 10.7270/Q21C1ZQ3
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50449319 (CHEMBL3126049) Show SMILES CN1CCCN([C@H]2CC[C@H](CC2)C(=O)Nc2ccc(cn2)-c2cc(F)cc(F)c2)C1=O |r,wU:9.12,6.5,(29.98,-38.65,;29.2,-39.98,;29.96,-41.32,;29.19,-42.65,;27.65,-42.65,;26.88,-41.31,;25.34,-41.3,;24.57,-42.63,;23.03,-42.62,;22.26,-41.28,;23.04,-39.95,;24.58,-39.96,;20.72,-41.28,;19.96,-39.94,;19.95,-42.61,;18.41,-42.6,;17.63,-43.93,;16.09,-43.92,;15.33,-42.59,;16.1,-41.25,;17.64,-41.26,;13.79,-42.58,;13.02,-41.24,;11.48,-41.23,;10.72,-39.89,;10.71,-42.56,;11.47,-43.9,;10.7,-45.23,;13.01,-43.9,;27.66,-39.97,;26.9,-38.63,)| Show InChI InChI=1S/C23H26F2N4O2/c1-28-9-2-10-29(23(28)31)20-6-3-15(4-7-20)22(30)27-21-8-5-16(14-26-21)17-11-18(24)13-19(25)12-17/h5,8,11-15,20H,2-4,6-7,9-10H2,1H3,(H,26,27,30)/t15-,20+	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lundbeck Research USA, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]PYY from human NPY5 receptor transfected in LM(tk-) cell membranes after 120 mins by solid scintillation counting				Bioorg Med Chem Lett 24: 1458-61 (2014) Article DOI: 10.1016/j.bmcl.2014.02.023 BindingDB Entry DOI: 10.7270/Q2S75HT1
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50122758 (2-methyl-4-(pyridin-3-ylethynyl)thiazole | 3-(2-(2...) Show SMILES Cc1nc(cs1)C#Cc1cccnc1 Show InChI InChI=1S/C11H8N2S/c1-9-13-11(8-14-9)5-4-10-3-2-6-12-7-10/h2-3,6-8H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from mGlu5R in rat cortical membranes by liquid scintillation spectrometric analysis				Bioorg Med Chem Lett 26: 484-94 (2016) Article DOI: 10.1016/j.bmcl.2015.11.087 BindingDB Entry DOI: 10.7270/Q21C1ZQ3
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50274014 (2-(4-(3-(tert-butylamino)-2-hydroxypropoxy)-1H-ind...) Show SMILES CC(C)(C)NCC(O)COc1cccc2[nH]cc(CC(N)=O)c12 Show InChI InChI=1S/C17H25N3O3/c1-17(2,3)20-9-12(21)10-23-14-6-4-5-13-16(14)11(8-19-13)7-15(18)22/h4-6,8,12,19-21H,7,9-10H2,1-3H3,(H2,18,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lundbeck Research USA, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DHA from human beta2 adrenoceptor by liquid scintillation counter				Bioorg Med Chem Lett 18: 5391-5 (2008) Article DOI: 10.1016/j.bmcl.2008.09.046 BindingDB Entry DOI: 10.7270/Q2FB52RP
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50449318 (CHEMBL3126051) Show SMILES CC(C)N1CCN([C@H]2CC[C@H](CC2)C(=O)Nc2ccc(cn2)-c2cc(F)cc(F)c2)C1=O |r,wU:10.13,7.6,(31.81,-39.8,;32.04,-41.33,;33.45,-41.95,;30.8,-42.22,;30.79,-43.76,;29.33,-44.23,;28.42,-42.98,;26.88,-42.97,;26.11,-44.31,;24.57,-44.3,;23.8,-42.96,;24.58,-41.64,;26.12,-41.64,;22.27,-42.96,;21.5,-41.63,;21.49,-44.29,;19.95,-44.28,;19.18,-45.62,;17.64,-45.61,;16.88,-44.27,;17.65,-42.94,;19.19,-42.95,;15.34,-44.27,;14.57,-42.93,;13.03,-42.93,;12.27,-41.6,;12.26,-44.26,;13.02,-45.6,;12.25,-46.93,;14.56,-45.6,;29.34,-41.74,;28.86,-40.28,)| Show InChI InChI=1S/C24H28F2N4O2/c1-15(2)29-9-10-30(24(29)32)21-6-3-16(4-7-21)23(31)28-22-8-5-17(14-27-22)18-11-19(25)13-20(26)12-18/h5,8,11-16,21H,3-4,6-7,9-10H2,1-2H3,(H,27,28,31)/t16-,21+	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lundbeck Research USA, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]PYY from human NPY5 receptor transfected in LM(tk-) cell membranes after 120 mins by solid scintillation counting				Bioorg Med Chem Lett 24: 1458-61 (2014) Article DOI: 10.1016/j.bmcl.2014.02.023 BindingDB Entry DOI: 10.7270/Q2S75HT1
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50001689 (4-(3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropoxy...) Show SMILES OC(COc1cccc2[nH]c(cc12)C#N)CN1CCN(CC1)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C29H30N4O2/c30-19-24-18-26-27(31-24)12-7-13-28(26)35-21-25(34)20-32-14-16-33(17-15-32)29(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-13,18,25,29,31,34H,14-17,20-21H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lundbeck Research USA, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DHA from human beta2 adrenoceptor by liquid scintillation counter				Bioorg Med Chem Lett 18: 5391-5 (2008) Article DOI: 10.1016/j.bmcl.2008.09.046 BindingDB Entry DOI: 10.7270/Q2FB52RP
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50449317 (CHEMBL3126054) Show SMILES Fc1cc(F)cc(c1)-c1ccc(NC(=O)[C@H]2CC[C@@H](CC2)N2CCCC2=O)nc1 |r,wU:18.22,wD:15.15,(19.4,-21.94,;20.17,-20.6,;19.4,-19.27,;20.17,-17.93,;19.4,-16.6,;21.71,-17.93,;22.48,-19.27,;21.71,-20.6,;24.02,-19.27,;24.79,-17.93,;26.33,-17.93,;27.1,-19.27,;28.64,-19.27,;29.41,-20.6,;28.71,-21.98,;30.94,-20.52,;31.78,-21.81,;33.32,-21.74,;34.02,-20.36,;33.18,-19.07,;31.64,-19.15,;35.56,-20.28,;36.4,-18.99,;37.88,-19.39,;37.97,-20.92,;36.53,-21.48,;36.12,-22.96,;26.33,-20.6,;24.79,-20.6,)| Show InChI InChI=1S/C22H23F2N3O2/c23-17-10-16(11-18(24)12-17)15-5-8-20(25-13-15)26-22(29)14-3-6-19(7-4-14)27-9-1-2-21(27)28/h5,8,10-14,19H,1-4,6-7,9H2,(H,25,26,29)/t14-,19-	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lundbeck Research USA, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]PYY from human NPY5 receptor transfected in LM(tk-) cell membranes after 120 mins by solid scintillation counting				Bioorg Med Chem Lett 24: 1458-61 (2014) Article DOI: 10.1016/j.bmcl.2014.02.023 BindingDB Entry DOI: 10.7270/Q2S75HT1
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50449316 (CHEMBL3126038) Show SMILES CN(C(=O)[C@@H]1CC[C@@H](CC1)N1CCCC1=O)c1ccc(cn1)-c1cc(F)cc(F)c1 |r,wU:4.3,7.10,(22.11,-20.01,;21.36,-21.35,;22.17,-22.67,;21.43,-24.02,;23.71,-22.63,;24.51,-23.94,;26.05,-23.9,;26.78,-22.55,;25.99,-21.23,;24.44,-21.28,;28.33,-22.51,;29.2,-21.24,;30.67,-21.68,;30.71,-23.22,;29.27,-23.73,;28.83,-25.21,;19.83,-21.36,;19.04,-20.03,;17.5,-20.04,;16.74,-21.38,;17.52,-22.7,;19.06,-22.69,;15.2,-21.39,;14.44,-22.73,;12.9,-22.74,;12.14,-24.08,;12.12,-21.42,;12.88,-20.08,;12.1,-18.75,;14.42,-20.06,)| Show InChI InChI=1S/C23H25F2N3O2/c1-27(21-9-6-16(14-26-21)17-11-18(24)13-19(25)12-17)23(30)15-4-7-20(8-5-15)28-10-2-3-22(28)29/h6,9,11-15,20H,2-5,7-8,10H2,1H3/t15-,20+	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lundbeck Research USA, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]PYY from human NPY5 receptor transfected in LM(tk-) cell membranes after 120 mins by solid scintillation counting				Bioorg Med Chem Lett 24: 1458-61 (2014) Article DOI: 10.1016/j.bmcl.2014.02.023 BindingDB Entry DOI: 10.7270/Q2S75HT1
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50143544 (CHEMBL3759766) Show SMILES Fc1ccc-2c(SCc3c(nnn-23)C(=O)Nc2ccnc(Cl)c2)c1Cl Show InChI InChI=1S/C15H8Cl2FN5OS/c16-11-5-7(3-4-19-11)20-15(24)13-10-6-25-14-9(23(10)22-21-13)2-1-8(18)12(14)17/h1-5H,6H2,(H,19,20,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.790	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Antagonist activity at human mGluR5 expressed in CHO cells assessed as inhibition of glutamate-induced effect by aequorin bioluminescence assay				Bioorg Med Chem Lett 26: 484-94 (2016) Article DOI: 10.1016/j.bmcl.2015.11.087 BindingDB Entry DOI: 10.7270/Q21C1ZQ3
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50106090 ((S)-3-(3,4-Dimethoxy-phenyl)-3-[2-((4-methoxy-buty...) Show SMILES COCCCCN(CC(=O)N[C@@H](CC(O)=O)c1ccc(OC)c(OC)c1)C(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1 Show InChI InChI=1S/C34H42N4O8/c1-23-9-5-6-10-27(23)37-34(43)35-26-14-11-24(12-15-26)19-32(40)38(17-7-8-18-44-2)22-31(39)36-28(21-33(41)42)25-13-16-29(45-3)30(20-25)46-4/h5-6,9-16,20,28H,7-8,17-19,21-22H2,1-4H3,(H,36,39)(H,41,42)(H2,35,37,43)/t28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description In vitro Very late antigen 4 cell adhesion inhibitory activity measured by binding of fluorescently labeled Ramos cells to immobilized VCAM-1.				Bioorg Med Chem Lett 11: 2955-8 (2001) BindingDB Entry DOI: 10.7270/Q20001CZ
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50106091 ((S)-3-Benzo[1,3]dioxol-5-yl-3-((S)-4-methyl-2-{2-[...) Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N[C@@H](CC(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C32H36N4O7/c1-19(2)14-26(31(40)35-25(17-30(38)39)22-10-13-27-28(16-22)43-18-42-27)34-29(37)15-21-8-11-23(12-9-21)33-32(41)36-24-7-5-4-6-20(24)3/h4-13,16,19,25-26H,14-15,17-18H2,1-3H3,(H,34,37)(H,35,40)(H,38,39)(H2,33,36,41)/t25-,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description In vitro Very late antigen 4 cell adhesion inhibitory activity measured by binding of fluorescently labeled Ramos cells to immobilized VCAM-1.				Bioorg Med Chem Lett 11: 2955-8 (2001) BindingDB Entry DOI: 10.7270/Q20001CZ
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50106083 ((S)-3-(4-Methoxy-phenyl)-3-[2-((3-methoxy-propyl)-...) Show SMILES COCCCN(CC(=O)N[C@@H](CC(O)=O)c1ccc(OC)cc1)C(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1 Show InChI InChI=1S/C32H38N4O7/c1-22-7-4-5-8-27(22)35-32(41)33-25-13-9-23(10-14-25)19-30(38)36(17-6-18-42-2)21-29(37)34-28(20-31(39)40)24-11-15-26(43-3)16-12-24/h4-5,7-16,28H,6,17-21H2,1-3H3,(H,34,37)(H,39,40)(H2,33,35,41)/t28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description In vitro Very late antigen 4 cell adhesion inhibitory activity measured by binding of fluorescently labeled Ramos cells to immobilized VCAM-1.				Bioorg Med Chem Lett 11: 2955-8 (2001) BindingDB Entry DOI: 10.7270/Q20001CZ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50143541 (CHEMBL3759977) Show SMILES C[C@@H](Oc1nnc(-c2cn[nH]c(=O)c2)n1C)c1nnn(n1)-c1cccc(C)c1 |r| Show InChI InChI=1S/C17H17N9O2/c1-10-5-4-6-13(7-10)26-23-15(20-24-26)11(2)28-17-22-21-16(25(17)3)12-8-14(27)19-18-9-12/h4-9,11H,1-3H3,(H,19,27)/t11-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Antagonist activity at human mGluR5d by fluo-3-based FLIPR assay				Bioorg Med Chem Lett 26: 484-94 (2016) Article DOI: 10.1016/j.bmcl.2015.11.087 BindingDB Entry DOI: 10.7270/Q21C1ZQ3
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50106086 ((S)-3-(3,4-Dimethoxy-phenyl)-3-[2-((3-methoxy-prop...) Show SMILES COCCCN(CC(=O)N[C@@H](CC(O)=O)c1ccc(OC)c(OC)c1)C(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1 Show InChI InChI=1S/C33H40N4O8/c1-22-8-5-6-9-26(22)36-33(42)34-25-13-10-23(11-14-25)18-31(39)37(16-7-17-43-2)21-30(38)35-27(20-32(40)41)24-12-15-28(44-3)29(19-24)45-4/h5-6,8-15,19,27H,7,16-18,20-21H2,1-4H3,(H,35,38)(H,40,41)(H2,34,36,42)/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description In vitro Very late antigen 4 cell adhesion inhibitory activity measured by binding of fluorescently labeled Ramos cells to immobilized VCAM-1.				Bioorg Med Chem Lett 11: 2955-8 (2001) BindingDB Entry DOI: 10.7270/Q20001CZ
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50106085 ((E)-(S)-3-[2-((3-Methoxy-propyl)-{2-[4-(3-o-tolyl-...) Show SMILES COCCCN(CC(=O)N[C@@H](CC(O)=O)\C=C\C)C(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1 Show InChI InChI=1S/C28H36N4O6/c1-4-8-23(18-27(35)36)29-25(33)19-32(15-7-16-38-3)26(34)17-21-11-13-22(14-12-21)30-28(37)31-24-10-6-5-9-20(24)2/h4-6,8-14,23H,7,15-19H2,1-3H3,(H,29,33)(H,35,36)(H2,30,31,37)/b8-4+/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.70	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of fluorescent Ramos cell adhesion to VCAM-1 by mouse Very late antigen 4 (VLA-4) integrin				Bioorg Med Chem Lett 11: 2955-8 (2001) BindingDB Entry DOI: 10.7270/Q20001CZ
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50106085 ((E)-(S)-3-[2-((3-Methoxy-propyl)-{2-[4-(3-o-tolyl-...) Show SMILES COCCCN(CC(=O)N[C@@H](CC(O)=O)\C=C\C)C(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1 Show InChI InChI=1S/C28H36N4O6/c1-4-8-23(18-27(35)36)29-25(33)19-32(15-7-16-38-3)26(34)17-21-11-13-22(14-12-21)30-28(37)31-24-10-6-5-9-20(24)2/h4-6,8-14,23H,7,15-19H2,1-3H3,(H,29,33)(H,35,36)(H2,30,31,37)/b8-4+/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of fluorescent Ramos cell adhesion to fibronectin by Very late antigen 4 (VLA-4)				Bioorg Med Chem Lett 11: 2955-8 (2001) BindingDB Entry DOI: 10.7270/Q20001CZ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50143539 (CHEMBL3758266) Show SMILES [H][C@@]12CC[C@@H](N1CCN(C2)c1nccnc1C#N)c1nnn(n1)-c1cccc(Cl)c1 |r| Show InChI InChI=1S/C19H18ClN9/c20-13-2-1-3-14(10-13)29-25-18(24-26-29)17-5-4-15-12-27(8-9-28(15)17)19-16(11-21)22-6-7-23-19/h1-3,6-7,10,15,17H,4-5,8-9,12H2/t15-,17+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Antagonist activity at mGluR5 (unknown origin)				Bioorg Med Chem Lett 26: 484-94 (2016) Article DOI: 10.1016/j.bmcl.2015.11.087 BindingDB Entry DOI: 10.7270/Q21C1ZQ3
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50143542 (CHEMBL3758851) Show SMILES C[C@H]1N(CCc2sccc12)C(=O)c1cc2ncc(Br)cn2n1 |r| Show InChI InChI=1S/C15H13BrN4OS/c1-9-11-3-5-22-13(11)2-4-19(9)15(21)12-6-14-17-7-10(16)8-20(14)18-12/h3,5-9H,2,4H2,1H3/t9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of [3H]-MPEP (2-methyl-6-(phenylethynyl)pyridine) from mGlu5R in Sprague-Dawley rat cortical membranes after 60 mins by scintillation co...				Bioorg Med Chem Lett 26: 484-94 (2016) Article DOI: 10.1016/j.bmcl.2015.11.087 BindingDB Entry DOI: 10.7270/Q21C1ZQ3
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50106082 ((S)-3-[2-((3-Methoxy-propyl)-{2-[4-(3-o-tolyl-urei...) Show SMILES COCCCN(CC(=O)N[C@@H](CC(O)=O)c1ccccc1)C(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1 Show InChI InChI=1S/C31H36N4O6/c1-22-9-6-7-12-26(22)34-31(40)32-25-15-13-23(14-16-25)19-29(37)35(17-8-18-41-2)21-28(36)33-27(20-30(38)39)24-10-4-3-5-11-24/h3-7,9-16,27H,8,17-21H2,1-2H3,(H,33,36)(H,38,39)(H2,32,34,40)/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description In vitro Very late antigen 4 cell adhesion inhibitory activity measured by binding of fluorescently labeled Ramos cells to immobilized VCAM-1.				Bioorg Med Chem Lett 11: 2955-8 (2001) BindingDB Entry DOI: 10.7270/Q20001CZ
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50106086 ((S)-3-(3,4-Dimethoxy-phenyl)-3-[2-((3-methoxy-prop...) Show SMILES COCCCN(CC(=O)N[C@@H](CC(O)=O)c1ccc(OC)c(OC)c1)C(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1 Show InChI InChI=1S/C33H40N4O8/c1-22-8-5-6-9-26(22)36-33(42)34-25-13-10-23(11-14-25)18-31(39)37(16-7-17-43-2)21-30(38)35-27(20-32(40)41)24-12-15-28(44-3)29(19-24)45-4/h5-6,8-15,19,27H,7,16-18,20-21H2,1-4H3,(H,35,38)(H,40,41)(H2,34,36,42)/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of fluorescent Ramos cell adhesion to fibronectin by Very late antigen 5 (VLA-5)				Bioorg Med Chem Lett 11: 2955-8 (2001) BindingDB Entry DOI: 10.7270/Q20001CZ
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50106082 ((S)-3-[2-((3-Methoxy-propyl)-{2-[4-(3-o-tolyl-urei...) Show SMILES COCCCN(CC(=O)N[C@@H](CC(O)=O)c1ccccc1)C(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1 Show InChI InChI=1S/C31H36N4O6/c1-22-9-6-7-12-26(22)34-31(40)32-25-15-13-23(14-16-25)19-29(37)35(17-8-18-41-2)21-28(36)33-27(20-30(38)39)24-10-4-3-5-11-24/h3-7,9-16,27H,8,17-21H2,1-2H3,(H,33,36)(H,38,39)(H2,32,34,40)/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of fluorescent Ramos cell adhesion to fibronectin by Very late antigen 4 (VLA-4)				Bioorg Med Chem Lett 11: 2955-8 (2001) BindingDB Entry DOI: 10.7270/Q20001CZ
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50106085 ((E)-(S)-3-[2-((3-Methoxy-propyl)-{2-[4-(3-o-tolyl-...) Show SMILES COCCCN(CC(=O)N[C@@H](CC(O)=O)\C=C\C)C(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1 Show InChI InChI=1S/C28H36N4O6/c1-4-8-23(18-27(35)36)29-25(33)19-32(15-7-16-38-3)26(34)17-21-11-13-22(14-12-21)30-28(37)31-24-10-6-5-9-20(24)2/h4-6,8-14,23H,7,15-19H2,1-3H3,(H,29,33)(H,35,36)(H2,30,31,37)/b8-4+/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description In vitro Very late antigen 4 cell adhesion inhibitory activity measured by binding of fluorescently labeled Ramos cells to immobilized VCAM-1.				Bioorg Med Chem Lett 11: 2955-8 (2001) BindingDB Entry DOI: 10.7270/Q20001CZ
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50106098 ((R)-3-((S)-4-Methyl-2-{2-[4-(3-o-tolyl-ureido)-phe...) Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N[C@H](CC=C)CC(O)=O Show InChI InChI=1S/C28H36N4O5/c1-5-8-22(17-26(34)35)29-27(36)24(15-18(2)3)31-25(33)16-20-11-13-21(14-12-20)30-28(37)32-23-10-7-6-9-19(23)4/h5-7,9-14,18,22,24H,1,8,15-17H2,2-4H3,(H,29,36)(H,31,33)(H,34,35)(H2,30,32,37)/t22-,24+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description In vitro Very late antigen 4 cell adhesion inhibitory activity measured by binding of fluorescently labeled Ramos cells to immobilized VCAM-1.				Bioorg Med Chem Lett 11: 2955-8 (2001) BindingDB Entry DOI: 10.7270/Q20001CZ
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50106093 ((S)-3-(3,4-Dimethoxy-phenyl)-3-[2-((3-methyl-butyl...) Show SMILES COc1ccc(cc1OC)[C@H](CC(O)=O)NC(=O)CN(CCC(C)C)C(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1 Show InChI InChI=1S/C34H42N4O7/c1-22(2)16-17-38(21-31(39)36-28(20-33(41)42)25-12-15-29(44-4)30(19-25)45-5)32(40)18-24-10-13-26(14-11-24)35-34(43)37-27-9-7-6-8-23(27)3/h6-15,19,22,28H,16-18,20-21H2,1-5H3,(H,36,39)(H,41,42)(H2,35,37,43)/t28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description In vitro Very late antigen 4 cell adhesion inhibitory activity measured by binding of fluorescently labeled Ramos cells to immobilized VCAM-1.				Bioorg Med Chem Lett 11: 2955-8 (2001) BindingDB Entry DOI: 10.7270/Q20001CZ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50143538 (CHEMBL3759888) Show SMILES [H][C@@]12CCC[C@H](C#Cc3cccc(c3)C#N)N1CCN(C2)c1ncccc1C#N |r| Show InChI InChI=1S/C23H21N5/c24-15-19-5-1-4-18(14-19)9-10-21-7-2-8-22-17-27(12-13-28(21)22)23-20(16-25)6-3-11-26-23/h1,3-6,11,14,21-22H,2,7-8,12-13,17H2/t21-,22+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Antagonist activity at human mGluR5d by fluo-3-based FLIPR assay				Bioorg Med Chem Lett 26: 484-94 (2016) Article DOI: 10.1016/j.bmcl.2015.11.087 BindingDB Entry DOI: 10.7270/Q21C1ZQ3
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50106085 ((E)-(S)-3-[2-((3-Methoxy-propyl)-{2-[4-(3-o-tolyl-...) Show SMILES COCCCN(CC(=O)N[C@@H](CC(O)=O)\C=C\C)C(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1 Show InChI InChI=1S/C28H36N4O6/c1-4-8-23(18-27(35)36)29-25(33)19-32(15-7-16-38-3)26(34)17-21-11-13-22(14-12-21)30-28(37)31-24-10-6-5-9-20(24)2/h4-6,8-14,23H,7,15-19H2,1-3H3,(H,29,33)(H,35,36)(H2,30,31,37)/b8-4+/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of fluorescent Ramos cell adhesion to VCAM-1 by rat Very late antigen 4 (VLA-4) integrin				Bioorg Med Chem Lett 11: 2955-8 (2001) BindingDB Entry DOI: 10.7270/Q20001CZ
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50106086 ((S)-3-(3,4-Dimethoxy-phenyl)-3-[2-((3-methoxy-prop...) Show SMILES COCCCN(CC(=O)N[C@@H](CC(O)=O)c1ccc(OC)c(OC)c1)C(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1 Show InChI InChI=1S/C33H40N4O8/c1-22-8-5-6-9-26(22)36-33(42)34-25-13-10-23(11-14-25)18-31(39)37(16-7-17-43-2)21-30(38)35-27(20-32(40)41)24-12-15-28(44-3)29(19-24)45-4/h5-6,8-15,19,27H,7,16-18,20-21H2,1-4H3,(H,35,38)(H,40,41)(H2,34,36,42)/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of fluorescent Ramos cell adhesion to VCAM-1 by rat Very late antigen 4 (VLA-4) integrin				Bioorg Med Chem Lett 11: 2955-8 (2001) BindingDB Entry DOI: 10.7270/Q20001CZ
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50106082 ((S)-3-[2-((3-Methoxy-propyl)-{2-[4-(3-o-tolyl-urei...) Show SMILES COCCCN(CC(=O)N[C@@H](CC(O)=O)c1ccccc1)C(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1 Show InChI InChI=1S/C31H36N4O6/c1-22-9-6-7-12-26(22)34-31(40)32-25-15-13-23(14-16-25)19-29(37)35(17-8-18-41-2)21-28(36)33-27(20-30(38)39)24-10-4-3-5-11-24/h3-7,9-16,27H,8,17-21H2,1-2H3,(H,33,36)(H,38,39)(H2,32,34,40)/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of fluorescent Ramos cell adhesion to VCAM-1 by mouse Very late antigen 4 (VLA-4) integrin				Bioorg Med Chem Lett 11: 2955-8 (2001) BindingDB Entry DOI: 10.7270/Q20001CZ
					More data for this Ligand-Target Pair
Integrin alpha-L/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50161080 ((S)-2-[(S)-3-Isobutyl-2,5-dioxo-4-((E)-3-pyridin-4...) Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCC(=O)N(CC=Cc2ccncc2)[C@@H](CC(C)C)C1=O |w:24.26| Show InChI InChI=1S/C31H36N4O3/c1-22(2)19-28-31(38)35(18-14-29(36)34(28)17-6-7-23-12-15-33-16-13-23)27(30(37)32-3)21-24-10-11-25-8-4-5-9-26(25)20-24/h4-13,15-16,20,22,27-28H,14,17-19,21H2,1-3H3,(H,32,37)/t27-,28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description In vitro inhibitory concentrationfor Lymphocyte function associated antigen 1/Intercellular adhesion molecule 1 (LFA-1/ICAM-1)				Bioorg Med Chem Lett 15: 1217-20 (2005) Article DOI: 10.1016/j.bmcl.2004.11.072 BindingDB Entry DOI: 10.7270/Q20Z72S2
					More data for this Ligand-Target Pair

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