Compile Data Set for Download or QSAR

Found 2204 hits with Last Name = 'adam' and Initial = 'a'   

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
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM33283 ((3-{4-[(3-phenyl-7-propyl-1,2-benzisoxazol-6-yl)ox...) Show SMILES CCCc1c(OCCCCOc2cccc(CC(O)=O)c2)ccc2c(noc12)-c1ccccc1 Show InChI InChI=1S/C28H29NO5/c1-2-9-23-25(15-14-24-27(29-34-28(23)24)21-11-4-3-5-12-21)33-17-7-6-16-32-22-13-8-10-20(18-22)19-26(30)31/h3-5,8,10-15,18H,2,6-7,9,16-17,19H2,1H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonistic activity was determined in COS1 cells transfected with GAL 4-PPAR gamma receptor				Bioorg Med Chem Lett 13: 931-5 (2003) BindingDB Entry DOI: 10.7270/Q2HX1C1Z
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50148259 (CHEMBL3765406) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC(F)(F)C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC(F)(F)C[C@@H]1C(N)=O |r| Show InChI InChI=1S/C28H31F4N5O5/c29-27(30)12-21(23(34)39)36(14-27)26(42)20(11-16-4-2-1-3-5-16)35-24(40)22-13-28(31,32)15-37(22)25(41)19(33)10-17-6-8-18(38)9-7-17/h1-9,19-22,38H,10-15,33H2,(H2,34,39)(H,35,40)/t19-,20-,21+,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Lodz Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from MOR in Wistar rat brain homogenate by scintillation counting analysis				Bioorg Med Chem 24: 1582-8 (2016) Article DOI: 10.1016/j.bmc.2016.02.034 BindingDB Entry DOI: 10.7270/Q2Z321H7
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50256733 (CHEMBL4083221) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r| Show InChI InChI=1S/C33H43N7O7/c34-23(17-21-11-13-22(41)14-12-21)30(44)37-24-9-4-5-15-36-28(42)19-25(29(35)43)38-32(46)27-10-6-16-40(27)33(47)26(39-31(24)45)18-20-7-2-1-3-8-20/h1-3,7-8,11-14,23-27,41H,4-6,9-10,15-19,34H2,(H2,35,43)(H,36,42)(H,37,44)(H,38,46)(H,39,45)/t23-,24+,25-,26-,27-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Biomolecular Chemistry, Faculty of Medicine, Medical University of Lodz, Mazowiecka 6/8, 92-215 Lodz, Poland. Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from recombinant human mu opioid receptor expressed in CHO cell membranes after 120 mins by liquid scintillation counter an...				Bioorg Med Chem 25: 2399-2405 (2017) Article DOI: 10.1016/j.bmc.2017.02.057 BindingDB Entry DOI: 10.7270/Q2ZP48J6
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50359546 (CHEMBL1927270) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r| Show InChI InChI=1S/C37H45N7O7/c38-27(19-25-14-16-26(45)17-15-25)34(48)41-28-13-7-8-18-40-32(46)22-29(33(39)47)42-36(50)30(20-23-9-3-1-4-10-23)44-37(51)31(43-35(28)49)21-24-11-5-2-6-12-24/h1-6,9-12,14-17,27-31,45H,7-8,13,18-22,38H2,(H2,39,47)(H,40,46)(H,41,48)(H,42,50)(H,43,49)(H,44,51)/t27-,28+,29-,30-,31-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Biomolecular Chemistry, Faculty of Medicine, Medical University of Lodz, Mazowiecka 6/8, 92-215 Lodz, Poland. Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from recombinant human mu opioid receptor expressed in CHO cell membranes after 120 mins by liquid scintillation counter an...				Bioorg Med Chem 25: 2399-2405 (2017) Article DOI: 10.1016/j.bmc.2017.02.057 BindingDB Entry DOI: 10.7270/Q2ZP48J6
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50329161 ((3R,4S)-3-(2-(3,5-bis(trifluoromethyl)phenyl)-N,2-...) Show SMILES CN([C@H]1CN(C[C@@H]1c1ccc(F)cc1)C(=O)NCCO)C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C26H28F7N3O3/c1-24(2,16-10-17(25(28,29)30)12-18(11-16)26(31,32)33)22(38)35(3)21-14-36(23(39)34-8-9-37)13-20(21)15-4-6-19(27)7-5-15/h4-7,10-12,20-21,37H,8-9,13-14H2,1-3H3,(H,34,39)/t20-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG 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
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]substance P from human neurokinin NK1 receptor expressed in CHO cell				Bioorg Med Chem Lett 20: 6735-8 (2010) Article DOI: 10.1016/j.bmcl.2010.08.138 BindingDB Entry DOI: 10.7270/Q22Z15SN
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50237596 (CHEMBL4099423) Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r| Show InChI InChI=1S/C39H49N7O7/c1-41-31(21-27-16-18-28(47)19-17-27)37(51)43-29-15-9-10-20-42-34(48)24-30(35(40)49)44-38(52)33(23-26-13-7-4-8-14-26)46(2)39(53)32(45-36(29)50)22-25-11-5-3-6-12-25/h3-8,11-14,16-19,29-33,41,47H,9-10,15,20-24H2,1-2H3,(H2,40,49)(H,42,48)(H,43,51)(H,44,52)(H,45,50)/t29-,30+,31+,32+,33+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Lodz Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from MOR in Wistar rat brain homogenates after 180 mins by liquid scintillation counting analysis				Bioorg Med Chem Lett 27: 1644-1648 (2017) Article DOI: 10.1016/j.bmcl.2017.03.016 BindingDB Entry DOI: 10.7270/Q2BG2R9F
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50256752 (CHEMBL4095366) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@@H]2CCCN(C2)C(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r| Show InChI InChI=1S/C34H45N7O7/c35-25(17-22-11-13-24(42)14-12-22)32(46)38-26-10-4-5-15-37-29(43)19-27(30(36)44)39-31(45)23-9-6-16-41(20-23)34(48)28(40-33(26)47)18-21-7-2-1-3-8-21/h1-3,7-8,11-14,23,25-28,42H,4-6,9-10,15-20,35H2,(H2,36,44)(H,37,43)(H,38,46)(H,39,45)(H,40,47)/t23-,25+,26-,27+,28+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Biomolecular Chemistry, Faculty of Medicine, Medical University of Lodz, Mazowiecka 6/8, 92-215 Lodz, Poland. Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from recombinant human mu opioid receptor expressed in CHO cell membranes after 120 mins by liquid scintillation counter an...				Bioorg Med Chem 25: 2399-2405 (2017) Article DOI: 10.1016/j.bmc.2017.02.057 BindingDB Entry DOI: 10.7270/Q2ZP48J6
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50329160 (2-(3,5-bis(trifluoromethyl)phenyl)-N-((3R,4S)-4-(4...) Show SMILES CN([C@H]1CNC[C@@H]1c1ccc(F)cc1)C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H23F7N2O/c1-21(2,14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)20(33)32(3)19-12-31-11-18(19)13-4-6-17(24)7-5-13/h4-10,18-19,31H,11-12H2,1-3H3/t18-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]substance P from human neurokinin NK1 receptor expressed in CHO cell				Bioorg Med Chem Lett 20: 6735-8 (2010) Article DOI: 10.1016/j.bmcl.2010.08.138 BindingDB Entry DOI: 10.7270/Q22Z15SN
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50329162 ((3R,4S)-3-(2-(3,5-bis(trifluoromethyl)phenyl)-N,2-...) Show SMILES CN([C@H]1CN(C[C@@H]1c1ccc(F)cc1)C(=O)N(CCO)CCO)C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C28H32F7N3O4/c1-26(2,18-12-19(27(30,31)32)14-20(13-18)28(33,34)35)24(41)36(3)23-16-38(25(42)37(8-10-39)9-11-40)15-22(23)17-4-6-21(29)7-5-17/h4-7,12-14,22-23,39-40H,8-11,15-16H2,1-3H3/t22-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]substance P from human neurokinin NK1 receptor expressed in CHO cell				Bioorg Med Chem Lett 20: 6735-8 (2010) Article DOI: 10.1016/j.bmcl.2010.08.138 BindingDB Entry DOI: 10.7270/Q22Z15SN
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50256743 (CHEMBL4085033) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)C2CCN(CC2)C(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r,wU:1.1,34.36,13.13,wD:22.48,(31.33,-29.37,;31.36,-27.84,;30.06,-27.03,;28.71,-27.77,;28.67,-29.31,;27.33,-30.05,;26,-29.25,;24.66,-29.99,;26.04,-27.71,;27.38,-26.97,;32.71,-27.09,;32.75,-25.56,;34.11,-27.94,;35.54,-27.15,;36.86,-27.94,;38.21,-27.22,;39.51,-28.01,;40.86,-27.27,;40.9,-25.73,;42.25,-24.98,;43.52,-25.82,;42.25,-20.87,;43.65,-20.12,;43.7,-18.53,;41.31,-17.46,;41.22,-15.87,;39.93,-18.27,;40.72,-19.65,;39.93,-21.02,;38.34,-21.02,;37.54,-19.65,;38.34,-18.27,;38.3,-22.61,;39.66,-23.44,;36.96,-23.34,;35.61,-22.6,;34.89,-21.23,;35.71,-19.94,;35,-18.57,;33.46,-18.52,;32.64,-19.83,;33.36,-21.18,;36.93,-24.88,;35.57,-25.61,;34.26,-24.82,;45.01,-20.96,;46.41,-20.21,;44.96,-22.55,)| Show InChI InChI=1S/C34H45N7O7/c35-25(18-22-9-11-24(42)12-10-22)32(46)38-26-8-4-5-15-37-29(43)20-27(30(36)44)39-31(45)23-13-16-41(17-14-23)34(48)28(40-33(26)47)19-21-6-2-1-3-7-21/h1-3,6-7,9-12,23,25-28,42H,4-5,8,13-20,35H2,(H2,36,44)(H,37,43)(H,38,46)(H,39,45)(H,40,47)/t25-,26+,27-,28-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Biomolecular Chemistry, Faculty of Medicine, Medical University of Lodz, Mazowiecka 6/8, 92-215 Lodz, Poland. Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from recombinant human mu opioid receptor expressed in CHO cell membranes after 120 mins by liquid scintillation counter an...				Bioorg Med Chem 25: 2399-2405 (2017) Article DOI: 10.1016/j.bmc.2017.02.057 BindingDB Entry DOI: 10.7270/Q2ZP48J6
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM360648 ((R)-1-(2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]i...) Show SMILES FC(F)(F)c1ccc(NC(=O)Nc2ccc3[C@@H]4CNCCN4CCc3c2)cc1 |r| Show InChI InChI=1S/C20H21F3N4O/c21-20(22,23)14-1-3-15(4-2-14)25-19(28)26-16-5-6-17-13(11-16)7-9-27-10-8-24-12-18(17)27/h1-6,11,18,24H,7-10,12H2,(H2,25,26,28)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description HEK-293 cells stably expressing mouse TAAR1 were maintained at 37° C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ...				US Patent US9828374 (2017) BindingDB Entry DOI: 10.7270/Q28W3GM2
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50329163 (CHEMBL1269639 | N-((3R,4S)-1-(4-acetylpiperazine-1...) Show SMILES CN([C@H]1CN(C[C@@H]1c1ccc(F)cc1)C(=O)N1CCN(CC1)C(C)=O)C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C30H33F7N4O3/c1-18(42)39-9-11-40(12-10-39)27(44)41-16-24(19-5-7-23(31)8-6-19)25(17-41)38(4)26(43)28(2,3)20-13-21(29(32,33)34)15-22(14-20)30(35,36)37/h5-8,13-15,24-25H,9-12,16-17H2,1-4H3/t24-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]substance P from human neurokinin NK1 receptor expressed in CHO cell				Bioorg Med Chem Lett 20: 6735-8 (2010) Article DOI: 10.1016/j.bmcl.2010.08.138 BindingDB Entry DOI: 10.7270/Q22Z15SN
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha/alpha (Homo sapiens (Human))	BDBM50178953 (CHEMBL3815166) Show SMILES CC(C)(C)c1cccc(c1)-c1cc(nn1-c1ccc(cc1)S(C)(=O)=O)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C27H26N2O4S/c1-27(2,3)21-7-5-6-20(16-21)25-17-24(18-8-10-19(11-9-18)26(30)31)28-29(25)22-12-14-23(15-13-22)34(4,32)33/h5-17H,1-4H3,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Displacement of [3H]-TTNPB from RARalpha/RXRalpha (unknown origin) expressed in baculovirus expression system by scintillation proximity assay				Bioorg Med Chem Lett 26: 3274-3277 (2016) Article DOI: 10.1016/j.bmcl.2016.05.056 BindingDB Entry DOI: 10.7270/Q2FF3V9N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50124377 (3-{4-[3-(3-Phenyl-7-propyl-benzo[d]isoxazol-6-ylox...) Show SMILES CCCc1c(OCCCOc2ccc(CCC(O)=O)cc2)ccc2c(noc12)-c1ccccc1 Show InChI InChI=1S/C28H29NO5/c1-2-7-23-25(16-15-24-27(29-34-28(23)24)21-8-4-3-5-9-21)33-19-6-18-32-22-13-10-20(11-14-22)12-17-26(30)31/h3-5,8-11,13-16H,2,6-7,12,17-19H2,1H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity towards human peroxisome proliferator activated receptor delta (PPAR delta)				Bioorg Med Chem Lett 13: 931-5 (2003) BindingDB Entry DOI: 10.7270/Q2HX1C1Z
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50329164 (2-(3,5-bis(trifluoromethyl)phenyl)-N-((3R,4S)-4-(4...) Show SMILES CN([C@H]1CN(C[C@@H]1c1ccc(F)cc1)C(=O)N1CCN(CC1)S(C)(=O)=O)C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C29H33F7N4O4S/c1-27(2,19-13-20(28(31,32)33)15-21(14-19)29(34,35)36)25(41)37(3)24-17-39(16-23(24)18-5-7-22(30)8-6-18)26(42)38-9-11-40(12-10-38)45(4,43)44/h5-8,13-15,23-24H,9-12,16-17H2,1-4H3/t23-,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]substance P from human neurokinin NK1 receptor expressed in CHO cell				Bioorg Med Chem Lett 20: 6735-8 (2010) Article DOI: 10.1016/j.bmcl.2010.08.138 BindingDB Entry DOI: 10.7270/Q22Z15SN
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50359546 (CHEMBL1927270) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r| Show InChI InChI=1S/C37H45N7O7/c38-27(19-25-14-16-26(45)17-15-25)34(48)41-28-13-7-8-18-40-32(46)22-29(33(39)47)42-36(50)30(20-23-9-3-1-4-10-23)44-37(51)31(43-35(28)49)21-24-11-5-2-6-12-24/h1-6,9-12,14-17,27-31,45H,7-8,13,18-22,38H2,(H2,39,47)(H,40,46)(H,41,48)(H,42,50)(H,43,49)(H,44,51)/t27-,28+,29-,30-,31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Biomolecular Chemistry, Faculty of Medicine, Medical University of Lodz, Mazowiecka 6/8, 92-215 Lodz, Poland. Curated by ChEMBL					Assay Description Displacement of [3H]U-69593 from recombinant human kappa opioid receptor expressed in CHO cell membranes after 120 mins by liquid scintillation count...				Bioorg Med Chem 25: 2399-2405 (2017) Article DOI: 10.1016/j.bmc.2017.02.057 BindingDB Entry DOI: 10.7270/Q2ZP48J6
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50124394 (2-Methyl-2-{4-[4-(3-phenyl-7-propyl-benzo[d]isoxaz...) Show SMILES CCCc1c(OCCCCOc2ccc(OC(C)(C)C(O)=O)cc2)ccc2c(noc12)-c1ccccc1 Show InChI InChI=1S/C30H33NO6/c1-4-10-24-26(18-17-25-27(31-37-28(24)25)21-11-6-5-7-12-21)35-20-9-8-19-34-22-13-15-23(16-14-22)36-30(2,3)29(32)33/h5-7,11-18H,4,8-10,19-20H2,1-3H3,(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity towards human peroxisome proliferator activated receptor gamma (PPAR gamma)				Bioorg Med Chem Lett 13: 931-5 (2003) BindingDB Entry DOI: 10.7270/Q2HX1C1Z
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Rattus norvegicus (Rat))	BDBM360648 ((R)-1-(2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]i...) Show SMILES FC(F)(F)c1ccc(NC(=O)Nc2ccc3[C@@H]4CNCCN4CCc3c2)cc1 |r| Show InChI InChI=1S/C20H21F3N4O/c21-20(22,23)14-1-3-15(4-2-14)25-19(28)26-16-5-6-17-13(11-16)7-9-27-10-8-24-12-18(17)27/h1-6,11,18,24H,7-10,12H2,(H2,25,26,28)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration...				US Patent US9828374 (2017) BindingDB Entry DOI: 10.7270/Q28W3GM2
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha/alpha (Homo sapiens (Human))	BDBM50178952 (CHEMBL3814574) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)-c1cc(nn1-c1ccc(cc1)S(C)(=O)=O)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C31H32N2O4S/c1-30(2)16-17-31(3,4)26-18-22(10-15-25(26)30)28-19-27(20-6-8-21(9-7-20)29(34)35)32-33(28)23-11-13-24(14-12-23)38(5,36)37/h6-15,18-19H,16-17H2,1-5H3,(H,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Displacement of [3H]-TTNPB from RARalpha/RXRalpha (unknown origin) expressed in baculovirus expression system by scintillation proximity assay				Bioorg Med Chem Lett 26: 3274-3277 (2016) Article DOI: 10.1016/j.bmcl.2016.05.056 BindingDB Entry DOI: 10.7270/Q2FF3V9N
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50124379 (2-(4-(3-(3-phenyl-7-propylbenzo[d]isoxazol-6-yloxy...) Show SMILES CCCc1c(OCCCOc2ccc(CC(O)=O)cc2)ccc2c(noc12)-c1ccccc1 Show InChI InChI=1S/C27H27NO5/c1-2-7-22-24(15-14-23-26(28-33-27(22)23)20-8-4-3-5-9-20)32-17-6-16-31-21-12-10-19(11-13-21)18-25(29)30/h3-5,8-15H,2,6-7,16-18H2,1H3,(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha)				Bioorg Med Chem Lett 13: 931-5 (2003) BindingDB Entry DOI: 10.7270/Q2HX1C1Z
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM33283 ((3-{4-[(3-phenyl-7-propyl-1,2-benzisoxazol-6-yl)ox...) Show SMILES CCCc1c(OCCCCOc2cccc(CC(O)=O)c2)ccc2c(noc12)-c1ccccc1 Show InChI InChI=1S/C28H29NO5/c1-2-9-23-25(15-14-24-27(29-34-28(23)24)21-11-4-3-5-12-21)33-17-7-6-16-32-22-13-8-10-20(18-22)19-26(30)31/h3-5,8,10-15,18H,2,6-7,9,16-17,19H2,1H3,(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha)				Bioorg Med Chem Lett 13: 931-5 (2003) BindingDB Entry DOI: 10.7270/Q2HX1C1Z
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50256756 (CHEMBL4074931) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@@H]2CCCCN2C(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r| Show InChI InChI=1S/C34H45N7O7/c35-24(18-22-12-14-23(42)15-13-22)31(45)38-25-10-4-6-16-37-29(43)20-26(30(36)44)39-33(47)28-11-5-7-17-41(28)34(48)27(40-32(25)46)19-21-8-2-1-3-9-21/h1-3,8-9,12-15,24-28,42H,4-7,10-11,16-20,35H2,(H2,36,44)(H,37,43)(H,38,45)(H,39,47)(H,40,46)/t24-,25+,26-,27-,28-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Biomolecular Chemistry, Faculty of Medicine, Medical University of Lodz, Mazowiecka 6/8, 92-215 Lodz, Poland. Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from recombinant human mu opioid receptor expressed in CHO cell membranes after 120 mins by liquid scintillation counter an...				Bioorg Med Chem 25: 2399-2405 (2017) Article DOI: 10.1016/j.bmc.2017.02.057 BindingDB Entry DOI: 10.7270/Q2ZP48J6
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50124384 (CHEMBL173494 | {4-[3-(3-Phenyl-7-propyl-benzo[d]is...) Show SMILES CCCc1c(OCCCOc2ccc(OCC(O)=O)cc2)ccc2c(noc12)-c1ccccc1 Show InChI InChI=1S/C27H27NO6/c1-2-7-22-24(15-14-23-26(28-34-27(22)23)19-8-4-3-5-9-19)32-17-6-16-31-20-10-12-21(13-11-20)33-18-25(29)30/h3-5,8-15H,2,6-7,16-18H2,1H3,(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonistic activity was determined in COS1 cells transfected with GAL 4-PPAR alpha receptor				Bioorg Med Chem Lett 13: 931-5 (2003) BindingDB Entry DOI: 10.7270/Q2HX1C1Z
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50124369 (CHEMBL367019 | {3-Chloro-4-[3-(3-phenyl-7-propyl-b...) Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)-c1ccccc1 Show InChI InChI=1S/C27H26ClNO4S/c1-2-7-20-23(12-11-21-26(29-33-27(20)21)19-8-4-3-5-9-19)32-14-6-15-34-24-13-10-18(16-22(24)28)17-25(30)31/h3-5,8-13,16H,2,6-7,14-15,17H2,1H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity towards human peroxisome proliferator activated receptor delta (PPAR delta)				Bioorg Med Chem Lett 13: 931-5 (2003) BindingDB Entry DOI: 10.7270/Q2HX1C1Z
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50124378 (2-{4-[3-(3-Phenyl-7-propyl-benzo[d]isoxazol-6-ylox...) Show SMILES CCCc1c(OCCCOc2ccc(OC(C)C(O)=O)cc2)ccc2c(noc12)-c1ccccc1 Show InChI InChI=1S/C28H29NO6/c1-3-8-23-25(16-15-24-26(29-35-27(23)24)20-9-5-4-6-10-20)33-18-7-17-32-21-11-13-22(14-12-21)34-19(2)28(30)31/h4-6,9-16,19H,3,7-8,17-18H2,1-2H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonistic activity was determined in COS1 cells transfected with GAL 4-PPAR gamma receptor				Bioorg Med Chem Lett 13: 931-5 (2003) BindingDB Entry DOI: 10.7270/Q2HX1C1Z
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50200369 (CHEMBL3915620) Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CC3)C=Cc3ccccc43)cc2)cc1 |r,c:26| Show InChI InChI=1S/C33H33NO3/c1-2-5-29(22-32(35)36)27-12-14-30(15-13-27)37-24-26-10-8-25(9-11-26)23-34-20-18-33(19-21-34)17-16-28-6-3-4-7-31(28)33/h3-4,6-17,29H,18-24H2,1H3,(H,35,36)/t29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Competitive displacement of [3H]-TAK-875 from full length human recombinant GPR40 expressed in HEK293 cell membranes after 2 hrs by scintillation cou...				J Med Chem 61: 934-945 (2018) Article DOI: 10.1021/acs.jmedchem.7b01411 BindingDB Entry DOI: 10.7270/Q2CZ39K5
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50124379 (2-(4-(3-(3-phenyl-7-propylbenzo[d]isoxazol-6-yloxy...) Show SMILES CCCc1c(OCCCOc2ccc(CC(O)=O)cc2)ccc2c(noc12)-c1ccccc1 Show InChI InChI=1S/C27H27NO5/c1-2-7-22-24(15-14-23-26(28-33-27(22)23)20-8-4-3-5-9-20)32-17-6-16-31-21-12-10-19(11-13-21)18-25(29)30/h3-5,8-15H,2,6-7,16-18H2,1H3,(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha)				Bioorg Med Chem Lett 13: 931-5 (2003) BindingDB Entry DOI: 10.7270/Q2HX1C1Z
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50124385 (3-[4-(3-Phenyl-7-propyl-benzo[d]isoxazol-6-yloxy)-...) Show SMILES CCCc1c(OCCCCOc2cccc(c2)C(O)=O)ccc2c(noc12)-c1ccccc1 Show InChI InChI=1S/C27H27NO5/c1-2-9-22-24(15-14-23-25(28-33-26(22)23)19-10-4-3-5-11-19)32-17-7-6-16-31-21-13-8-12-20(18-21)27(29)30/h3-5,8,10-15,18H,2,6-7,9,16-17H2,1H3,(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonistic activity was determined in COS1 cells transfected with GAL 4-PPAR delta receptor				Bioorg Med Chem Lett 13: 931-5 (2003) BindingDB Entry DOI: 10.7270/Q2HX1C1Z
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha/alpha (Homo sapiens (Human))	BDBM50178954 (CHEMBL3813779) Show SMILES Cc1cc(cc(c1)C(C)(C)C)-c1cc(nn1-c1ccc(cc1)S(C)(=O)=O)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C28H28N2O4S/c1-18-14-21(16-22(15-18)28(2,3)4)26-17-25(19-6-8-20(9-7-19)27(31)32)29-30(26)23-10-12-24(13-11-23)35(5,33)34/h6-17H,1-5H3,(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Displacement of [3H]-TTNPB from RARalpha/RXRalpha (unknown origin) expressed in baculovirus expression system by scintillation proximity assay				Bioorg Med Chem Lett 26: 3274-3277 (2016) Article DOI: 10.1016/j.bmcl.2016.05.056 BindingDB Entry DOI: 10.7270/Q2FF3V9N
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM360621 (N-[(11bS)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-...) Show SMILES Clc1ccc(cc1)C(=O)Nc1ccc2[C@H]3CNCCN3CCc2c1 |r| Show InChI InChI=1S/C19H20ClN3O/c20-15-3-1-13(2-4-15)19(24)22-16-5-6-17-14(11-16)7-9-23-10-8-21-12-18(17)23/h1-6,11,18,21H,7-10,12H2,(H,22,24)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description HEK-293 cells stably expressing mouse TAAR1 were maintained at 37° C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ...				US Patent US9828374 (2017) BindingDB Entry DOI: 10.7270/Q28W3GM2
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Rattus norvegicus (Rat))	BDBM360627 ((11bR)-N-(5-cyclopropylpyrimidin-2-yl)-2,3,4,6,7,1...) Show SMILES C1CC1c1cnc(Nc2ccc3[C@@H]4CNCCN4CCc3c2)nc1 |r| Show InChI InChI=1S/C19H23N5/c1-2-13(1)15-10-21-19(22-11-15)23-16-3-4-17-14(9-16)5-7-24-8-6-20-12-18(17)24/h3-4,9-11,13,18,20H,1-2,5-8,12H2,(H,21,22,23)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration...				US Patent US9828374 (2017) BindingDB Entry DOI: 10.7270/Q28W3GM2
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50124386 (CHEMBL367311 | {4-[4-(3-Phenyl-7-propyl-benzo[d]is...) Show SMILES CCCc1c(OCCCCOc2ccc(CC(O)=O)cc2)ccc2c(noc12)-c1ccccc1 Show InChI InChI=1S/C28H29NO5/c1-2-8-23-25(16-15-24-27(29-34-28(23)24)21-9-4-3-5-10-21)33-18-7-6-17-32-22-13-11-20(12-14-22)19-26(30)31/h3-5,9-16H,2,6-8,17-19H2,1H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonistic activity was determined in COS1 cells transfected with GAL 4-PPAR alpha receptor				Bioorg Med Chem Lett 13: 931-5 (2003) BindingDB Entry DOI: 10.7270/Q2HX1C1Z
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM33283 ((3-{4-[(3-phenyl-7-propyl-1,2-benzisoxazol-6-yl)ox...) Show SMILES CCCc1c(OCCCCOc2cccc(CC(O)=O)c2)ccc2c(noc12)-c1ccccc1 Show InChI InChI=1S/C28H29NO5/c1-2-9-23-25(15-14-24-27(29-34-28(23)24)21-11-4-3-5-12-21)33-17-7-6-16-32-22-13-8-10-20(18-22)19-26(30)31/h3-5,8,10-15,18H,2,6-7,9,16-17,19H2,1H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity towards human peroxisome proliferator activated receptor gamma (PPAR gamma)				Bioorg Med Chem Lett 13: 931-5 (2003) BindingDB Entry DOI: 10.7270/Q2HX1C1Z
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50124377 (3-{4-[3-(3-Phenyl-7-propyl-benzo[d]isoxazol-6-ylox...) Show SMILES CCCc1c(OCCCOc2ccc(CCC(O)=O)cc2)ccc2c(noc12)-c1ccccc1 Show InChI InChI=1S/C28H29NO5/c1-2-7-23-25(16-15-24-27(29-34-28(23)24)21-8-4-3-5-9-21)33-19-6-18-32-22-13-10-20(11-14-22)12-17-26(30)31/h3-5,8-11,13-16H,2,6-7,12,17-19H2,1H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha)				Bioorg Med Chem Lett 13: 931-5 (2003) BindingDB Entry DOI: 10.7270/Q2HX1C1Z
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Rattus norvegicus (Rat))	BDBM360621 (N-[(11bS)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-...) Show SMILES Clc1ccc(cc1)C(=O)Nc1ccc2[C@H]3CNCCN3CCc2c1 |r| Show InChI InChI=1S/C19H20ClN3O/c20-15-3-1-13(2-4-15)19(24)22-16-5-6-17-14(11-16)7-9-23-10-8-21-12-18(17)23/h1-6,11,18,21H,7-10,12H2,(H,22,24)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration...				US Patent US9828374 (2017) BindingDB Entry DOI: 10.7270/Q28W3GM2
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM360632 (N4-[(11bR)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1...) Show SMILES CN(C)c1cc(Nc2ccc3[C@@H]4CNCCN4CCc3c2)nc(n1)C(F)(F)F |r| Show InChI InChI=1S/C19H23F3N6/c1-27(2)17-10-16(25-18(26-17)19(20,21)22)24-13-3-4-14-12(9-13)5-7-28-8-6-23-11-15(14)28/h3-4,9-10,15,23H,5-8,11H2,1-2H3,(H,24,25,26)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description HEK-293 cells stably expressing mouse TAAR1 were maintained at 37° C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ...				US Patent US9828374 (2017) BindingDB Entry DOI: 10.7270/Q28W3GM2
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50124374 (3-{4-[4-(3-Phenyl-7-propyl-benzo[d]isoxazol-6-ylox...) Show SMILES CCCc1c(OCCCCOc2ccc(CCC(O)=O)cc2)ccc2c(noc12)-c1ccccc1 Show InChI InChI=1S/C29H31NO5/c1-2-8-24-26(17-16-25-28(30-35-29(24)25)22-9-4-3-5-10-22)34-20-7-6-19-33-23-14-11-21(12-15-23)13-18-27(31)32/h3-5,9-12,14-17H,2,6-8,13,18-20H2,1H3,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha)				Bioorg Med Chem Lett 13: 931-5 (2003) BindingDB Entry DOI: 10.7270/Q2HX1C1Z
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha/alpha (Homo sapiens (Human))	BDBM50178961 (CHEMBL2385268) Show SMILES CC1(C)CC=C(c2ccccc2)c2cc(\C=C\c3ccc(cc3)C(O)=O)ccc12 |t:4| Show InChI InChI=1S/C27H24O2/c1-27(2)17-16-23(21-6-4-3-5-7-21)24-18-20(12-15-25(24)27)9-8-19-10-13-22(14-11-19)26(28)29/h3-16,18H,17H2,1-2H3,(H,28,29)/b9-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	7.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Displacement of [3H]-TTNPB from RARalpha/RXRalpha (unknown origin) expressed in baculovirus expression system by scintillation proximity assay				Bioorg Med Chem Lett 26: 3274-3277 (2016) Article DOI: 10.1016/j.bmcl.2016.05.056 BindingDB Entry DOI: 10.7270/Q2FF3V9N
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Rattus norvegicus (Rat))	BDBM360626 ((R)-N-(5-(2,2,2-trifluoroethoxy)pyrimidin-2-yl)-2,...) Show SMILES FC(F)(F)COc1cnc(Nc2ccc3[C@@H]4CNCCN4CCc3c2)nc1 |r| Show InChI InChI=1S/C18H20F3N5O/c19-18(20,21)11-27-14-8-23-17(24-9-14)25-13-1-2-15-12(7-13)3-5-26-6-4-22-10-16(15)26/h1-2,7-9,16,22H,3-6,10-11H2,(H,23,24,25)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration...				US Patent US9828374 (2017) BindingDB Entry DOI: 10.7270/Q28W3GM2
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50124384 (CHEMBL173494 | {4-[3-(3-Phenyl-7-propyl-benzo[d]is...) Show SMILES CCCc1c(OCCCOc2ccc(OCC(O)=O)cc2)ccc2c(noc12)-c1ccccc1 Show InChI InChI=1S/C27H27NO6/c1-2-7-22-24(15-14-23-26(28-34-27(22)23)19-8-4-3-5-9-19)32-17-6-16-31-20-10-12-21(13-11-20)33-18-25(29)30/h3-5,8-15H,2,6-7,16-18H2,1H3,(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	8.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha)				Bioorg Med Chem Lett 13: 931-5 (2003) BindingDB Entry DOI: 10.7270/Q2HX1C1Z
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50247164 (CHEMBL4101901) Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(s2)N2CCC3(CCc4ccccc34)CC2)cc1 |r| Show InChI InChI=1S/C30H31NO3S/c1-2-5-24(20-29(32)33)22-8-10-25(11-9-22)34-21-26-12-13-28(35-26)31-18-16-30(17-19-31)15-14-23-6-3-4-7-27(23)30/h3-4,6-13,24H,14-21H2,1H3,(H,32,33)/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Competitive displacement of [3H]-TAK-875 from full length human recombinant GPR40 expressed in HEK293 cell membranes after 2 hrs by scintillation cou...				J Med Chem 61: 934-945 (2018) Article DOI: 10.1021/acs.jmedchem.7b01411 BindingDB Entry DOI: 10.7270/Q2CZ39K5
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50124374 (3-{4-[4-(3-Phenyl-7-propyl-benzo[d]isoxazol-6-ylox...) Show SMILES CCCc1c(OCCCCOc2ccc(CCC(O)=O)cc2)ccc2c(noc12)-c1ccccc1 Show InChI InChI=1S/C29H31NO5/c1-2-8-24-26(17-16-25-28(30-35-29(24)25)22-9-4-3-5-10-22)34-20-7-6-19-33-23-14-11-21(12-15-23)13-18-27(31)32/h3-5,9-12,14-17H,2,6-8,13,18-20H2,1H3,(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	8.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity towards human peroxisome proliferator activated receptor gamma (PPAR gamma)				Bioorg Med Chem Lett 13: 931-5 (2003) BindingDB Entry DOI: 10.7270/Q2HX1C1Z
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM360631 ((11bR)-N-[6-methoxy-2-(trifluoromethyl)pyrimidin-4...) Show SMILES COc1cc(Nc2ccc3[C@@H]4CNCCN4CCc3c2)nc(n1)C(F)(F)F |r| Show InChI InChI=1S/C18H20F3N5O/c1-27-16-9-15(24-17(25-16)18(19,20)21)23-12-2-3-13-11(8-12)4-6-26-7-5-22-10-14(13)26/h2-3,8-9,14,22H,4-7,10H2,1H3,(H,23,24,25)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	9.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description HEK-293 cells stably expressing mouse TAAR1 were maintained at 37° C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ...				US Patent US9828374 (2017) BindingDB Entry DOI: 10.7270/Q28W3GM2
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50124378 (2-{4-[3-(3-Phenyl-7-propyl-benzo[d]isoxazol-6-ylox...) Show SMILES CCCc1c(OCCCOc2ccc(OC(C)C(O)=O)cc2)ccc2c(noc12)-c1ccccc1 Show InChI InChI=1S/C28H29NO6/c1-3-8-23-25(16-15-24-26(29-35-27(23)24)20-9-5-4-6-10-20)33-18-7-17-32-21-11-13-22(14-12-21)34-19(2)28(30)31/h4-6,9-16,19H,3,7-8,17-18H2,1-2H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha)				Bioorg Med Chem Lett 13: 931-5 (2003) BindingDB Entry DOI: 10.7270/Q2HX1C1Z
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Rattus norvegicus (Rat))	BDBM360616 (N-[(11bR)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-...) Show SMILES Clc1ccc(cc1)C(=O)Nc1ccc2[C@@H]3CNCCN3CCc2c1 |r| Show InChI InChI=1S/C19H20ClN3O/c20-15-3-1-13(2-4-15)19(24)22-16-5-6-17-14(11-16)7-9-23-10-8-21-12-18(17)23/h1-6,11,18,21H,7-10,12H2,(H,22,24)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	9.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration...				US Patent US9828374 (2017) BindingDB Entry DOI: 10.7270/Q28W3GM2
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Rattus norvegicus (Rat))	BDBM360649 ((R)-1-(2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]i...) Show SMILES COc1ccc(NC(=O)Nc2ccc3[C@@H]4CNCCN4CCc3c2)cc1 |r| Show InChI InChI=1S/C20H24N4O2/c1-26-17-5-2-15(3-6-17)22-20(25)23-16-4-7-18-14(12-16)8-10-24-11-9-21-13-19(18)24/h2-7,12,19,21H,8-11,13H2,1H3,(H2,22,23,25)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	10.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration...				US Patent US9828374 (2017) BindingDB Entry DOI: 10.7270/Q28W3GM2
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50124383 (3-{4-[2-(3-Phenyl-7-propyl-benzo[d]isoxazol-6-ylox...) Show SMILES CCCc1c(OCCOc2ccc(CCC(O)=O)cc2)ccc2c(noc12)-c1ccccc1 Show InChI InChI=1S/C27H27NO5/c1-2-6-22-24(15-14-23-26(28-33-27(22)23)20-7-4-3-5-8-20)32-18-17-31-21-12-9-19(10-13-21)11-16-25(29)30/h3-5,7-10,12-15H,2,6,11,16-18H2,1H3,(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity towards human peroxisome proliferator activated receptor delta (PPAR delta)				Bioorg Med Chem Lett 13: 931-5 (2003) BindingDB Entry DOI: 10.7270/Q2HX1C1Z
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50124383 (3-{4-[2-(3-Phenyl-7-propyl-benzo[d]isoxazol-6-ylox...) Show SMILES CCCc1c(OCCOc2ccc(CCC(O)=O)cc2)ccc2c(noc12)-c1ccccc1 Show InChI InChI=1S/C27H27NO5/c1-2-6-22-24(15-14-23-26(28-33-27(22)23)20-7-4-3-5-8-20)32-18-17-31-21-12-9-19(10-13-21)11-16-25(29)30/h3-5,7-10,12-15H,2,6,11,16-18H2,1H3,(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha)				Bioorg Med Chem Lett 13: 931-5 (2003) BindingDB Entry DOI: 10.7270/Q2HX1C1Z
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50124369 (CHEMBL367019 | {3-Chloro-4-[3-(3-phenyl-7-propyl-b...) Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)-c1ccccc1 Show InChI InChI=1S/C27H26ClNO4S/c1-2-7-20-23(12-11-21-26(29-33-27(20)21)19-8-4-3-5-9-19)32-14-6-15-34-24-13-10-18(16-22(24)28)17-25(30)31/h3-5,8-13,16H,2,6-7,14-15,17H2,1H3,(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity towards human peroxisome proliferator activated receptor gamma (PPAR gamma)				Bioorg Med Chem Lett 13: 931-5 (2003) BindingDB Entry DOI: 10.7270/Q2HX1C1Z
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM360633 ((11bR)-N-[6-methyl-2-(trifluoromethyl)pyrimidin-4-...) Show SMILES Cc1cc(Nc2ccc3[C@@H]4CNCCN4CCc3c2)nc(n1)C(F)(F)F |r| Show InChI InChI=1S/C18H20F3N5/c1-11-8-16(25-17(23-11)18(19,20)21)24-13-2-3-14-12(9-13)4-6-26-7-5-22-10-15(14)26/h2-3,8-9,15,22H,4-7,10H2,1H3,(H,23,24,25)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	11.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description HEK-293 cells stably expressing mouse TAAR1 were maintained at 37° C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ...				US Patent US9828374 (2017) BindingDB Entry DOI: 10.7270/Q28W3GM2
					More data for this Ligand-Target Pair

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