Compile Data Set for Download or QSAR

Found 1280 hits with Last Name = 'ozaki' and Initial = 's'   

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
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50143784 ((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-2-butyl-7-[2-((...) Show SMILES CCCCc1ccc2[C@@H]([C@H]([C@@H](c2n1)c1ccc(OC)cc1C[C@H](C)C(O)=O)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C31H33NO7/c1-4-5-6-20-8-10-23-26(18-7-12-24-25(15-18)39-16-38-24)28(31(35)36)27(29(23)32-20)22-11-9-21(37-3)14-19(22)13-17(2)30(33)34/h7-12,14-15,17,26-28H,4-6,13,16H2,1-3H3,(H,33,34)(H,35,36)/t17-,26-,27-,28+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Pharmaceutical Co., Ltd. Curated by PDSP Ki Database									J Pharmacol Exp Ther 289: 1262-70 (1999) BindingDB Entry DOI: 10.7270/Q2Q52N5Q
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50143784 ((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-2-butyl-7-[2-((...) Show SMILES CCCCc1ccc2[C@@H]([C@H]([C@@H](c2n1)c1ccc(OC)cc1C[C@H](C)C(O)=O)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C31H33NO7/c1-4-5-6-20-8-10-23-26(18-7-12-24-25(15-18)39-16-38-24)28(31(35)36)27(29(23)32-20)22-11-9-21(37-3)14-19(22)13-17(2)30(33)34/h7-12,14-15,17,26-28H,4-6,13,16H2,1-3H3,(H,33,34)(H,35,36)/t17-,26-,27-,28+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Pharmaceutical Co., Ltd. Curated by PDSP Ki Database									J Pharmacol Exp Ther 289: 1262-70 (1999) BindingDB Entry DOI: 10.7270/Q2Q52N5Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50044431 (8-(Hexahydro-2,5-methano-pentalen-3a-yl)-1,3-dipro...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)C12CC3CC1CC(C2)C3 |TLB:20:19:24:21.22,THB:20:21:24:18.19.25| Show InChI InChI=1S/C20H28N4OS/c1-3-5-23-16-15(17(25)24(6-4-2)19(23)26)21-18(22-16)20-10-12-7-13(11-20)9-14(20)8-12/h12-14H,3-11H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Tested for binding affinity against Adenosine A1 receptor from rat forebrain membranes, using N6-[3H]- cyclohexyladenosine as radioligand				J Med Chem 36: 2508-18 (1993) BindingDB Entry DOI: 10.7270/Q2GX4C5K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50044429 (3-[2-(4-Amino-phenyl)-ethyl]-8-cyclopentyl-1-propy...) Show SMILES CCCn1c(=O)n(CCc2ccc(N)cc2)c2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C21H27N5O2/c1-2-12-26-20(27)17-19(24-18(23-17)15-5-3-4-6-15)25(21(26)28)13-11-14-7-9-16(22)10-8-14/h7-10,15H,2-6,11-13,22H2,1H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity against Adenosine A1 receptor from rat forebrain membranes with N6-[3H]- cyclohexyladenosine				J Med Chem 36: 2508-18 (1993) BindingDB Entry DOI: 10.7270/Q2GX4C5K
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50093793 (E-2006 | Lemborexant) Show SMILES Cc1ncc(OC[C@]2(C[C@H]2C(=O)Nc2ccc(F)cn2)c2cccc(F)c2)c(C)n1 |r| Show InChI InChI=1S/C22H20F2N4O2/c1-13-19(11-25-14(2)27-13)30-12-22(15-4-3-5-16(23)8-15)9-18(22)21(29)28-20-7-6-17(24)10-26-20/h3-8,10-11,18H,9,12H2,1-2H3,(H,26,28,29)/t18-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	0.440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity to human OX2R expressed in HEK-293 cells assessed as inhibition of orexin A-induced calcium accumulation by FLIPR assay				J Med Chem 58: 4648-64 (2015) Article DOI: 10.1021/acs.jmedchem.5b00217 BindingDB Entry DOI: 10.7270/Q2125VD7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM21173 (1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Tested for binding affinity against Adenosine A1 receptor from rat forebrain membranes, using N6-[3H]- cyclohexyladenosine as radioligand				J Med Chem 36: 2508-18 (1993) BindingDB Entry DOI: 10.7270/Q2GX4C5K
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50244370 ((7R,9S)-7-((4-(2,6-dichlorophenyl)piperidin-1-yl)m...) Show SMILES O[C@H]1C[C@H](CN2CCC(CC2)c2c(Cl)cccc2Cl)CCc2cccnc12 |r| Show InChI InChI=1S/C22H26Cl2N2O/c23-18-4-1-5-19(24)21(18)16-8-11-26(12-9-16)14-15-6-7-17-3-2-10-25-22(17)20(27)13-15/h1-5,10,15-16,20,27H,6-9,11-14H2/t15-,20+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Displacement of [125I][Tyr14]nociceptin from human ORL1 expressed in CHO cells				J Med Chem 51: 4021-9 (2008) Article DOI: 10.1021/jm701590h BindingDB Entry DOI: 10.7270/Q2KW5FTW
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50003021 (7-Ethyl-2-(hexahydro-2,5-methano-pentalen-3a-yl)-4...) Show SMILES CCCn1c2nc(nc2c2N[C@H](CC)Cn2c1=O)C12CC3CC1CC(C2)C3 |THB:23:22:19:25.24.26,23:24:19:22.21| Show InChI InChI=1S/C21H29N5O/c1-3-5-25-18-16(17-22-15(4-2)11-26(17)20(25)27)23-19(24-18)21-9-12-6-13(10-21)8-14(21)7-12/h12-15,22H,3-11H2,1-2H3/t12?,13?,14?,15-,21?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Tested for binding affinity against Adenosine A1 receptor from rat forebrain membranes, using N6-[3H]- cyclohexyladenosine as radioligand				J Med Chem 36: 2508-18 (1993) BindingDB Entry DOI: 10.7270/Q2GX4C5K
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50290167 (1,3-Diethyl-8-[(E)-2-(4-methoxy-2,3-dimethyl-pheny...) Show SMILES CCn1c2nc(\C=C\c3ccc(OC)c(C)c3C)n(C)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C21H26N4O3/c1-7-24-19-18(20(26)25(8-2)21(24)27)23(5)17(22-19)12-10-15-9-11-16(28-6)14(4)13(15)3/h9-12H,7-8H2,1-6H3/b12-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-CGS- 21680 from Adenosine A2a receptor of rat forebrain membranes (shielded from light)				Bioorg Med Chem Lett 7: 2349-2352 (1997) Article DOI: 10.1016/S0960-894X(97)00440-X BindingDB Entry DOI: 10.7270/Q2PV6KB7
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50290165 (8-[(E)-2-(2,4-Dimethoxy-3-methyl-phenyl)-vinyl]-1,...) Show SMILES CCn1c2nc(\C=C\c3ccc(OC)c(C)c3OC)n(C)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C21H26N4O4/c1-7-24-19-17(20(26)25(8-2)21(24)27)23(4)16(22-19)12-10-14-9-11-15(28-5)13(3)18(14)29-6/h9-12H,7-8H2,1-6H3/b12-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-CGS- 21680 from Adenosine A2a receptor of rat forebrain membranes (shielded from light)				Bioorg Med Chem Lett 7: 2349-2352 (1997) Article DOI: 10.1016/S0960-894X(97)00440-X BindingDB Entry DOI: 10.7270/Q2PV6KB7
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50004583 (8-(Octahydro-pentalen-2-yl)-1,3-dipropyl-3,7-dihyd...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CC2CCCC2C1 Show InChI InChI=1S/C19H28N4O2/c1-3-8-22-17-15(18(24)23(9-4-2)19(22)25)20-16(21-17)14-10-12-6-5-7-13(12)11-14/h12-14H,3-11H2,1-2H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Tested for binding affinity against Adenosine A1 receptor from rat forebrain membranes, using N6-[3H]- cyclohexyladenosine as radioligand				J Med Chem 36: 2508-18 (1993) BindingDB Entry DOI: 10.7270/Q2GX4C5K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50003024 ((8-(dicyclopropylmethyl)-1,3-dipropylxanthine)8-Di...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C1CC1)C1CC1 Show InChI InChI=1S/C18H26N4O2/c1-3-9-21-16-14(17(23)22(10-4-2)18(21)24)19-15(20-16)13(11-5-6-11)12-7-8-12/h11-13H,3-10H2,1-2H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.990	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Tested for binding affinity against Adenosine A1 receptor from rat forebrain membranes, using N6-[3H]- cyclohexyladenosine as radioligand				J Med Chem 36: 2508-18 (1993) BindingDB Entry DOI: 10.7270/Q2GX4C5K
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50006710 (8-[(E)-2-(3,4-Dimethoxy-phenyl)-vinyl]-7-methyl-1,...) Show SMILES CCCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C22H28N4O4/c1-6-12-25-20-19(21(27)26(13-7-2)22(25)28)24(3)18(23-20)11-9-15-8-10-16(29-4)17(14-15)30-5/h8-11,14H,6-7,12-13H2,1-5H3/b11-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-CGS- 21680 from Adenosine A2a receptor of rat forebrain membranes (shielded from light)				Bioorg Med Chem Lett 7: 2349-2352 (1997) Article DOI: 10.1016/S0960-894X(97)00440-X BindingDB Entry DOI: 10.7270/Q2PV6KB7
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50244371 ((7R,9S)-7-((4-(2-chlorophenyl)piperidin-1-yl)methy...) Show SMILES O[C@H]1C[C@H](CN2CCC(CC2)c2ccccc2Cl)CCc2cccnc12 |r| Show InChI InChI=1S/C22H27ClN2O/c23-20-6-2-1-5-19(20)17-9-12-25(13-10-17)15-16-7-8-18-4-3-11-24-22(18)21(26)14-16/h1-6,11,16-17,21,26H,7-10,12-15H2/t16-,21+/m1/s1	PDB 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
Tsukuba Research Institute Curated by ChEMBL					Assay Description Displacement of [125I][Tyr14]nociceptin from human ORL1 expressed in CHO cells				J Med Chem 51: 4021-9 (2008) Article DOI: 10.1021/jm701590h BindingDB Entry DOI: 10.7270/Q2KW5FTW
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50003019 (8-(Hexahydro-2,5-methano-pentalen-3a-yl)-1,3-dipro...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CC3CC1CC(C2)C3 |THB:22:21:18:24.23.25,22:23:18:21.20| Show InChI InChI=1S/C20H28N4O2/c1-3-5-23-16-15(17(25)24(6-4-2)19(23)26)21-18(22-16)20-10-12-7-13(11-20)9-14(20)8-12/h12-14H,3-11H2,1-2H3,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor using N6-[3H]-cyclohexyladenosine in guinea pig forebrain membranes				J Med Chem 35: 3578-81 (1992) BindingDB Entry DOI: 10.7270/Q28K781C
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50044431 (8-(Hexahydro-2,5-methano-pentalen-3a-yl)-1,3-dipro...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)C12CC3CC1CC(C2)C3 |TLB:20:19:24:21.22,THB:20:21:24:18.19.25| Show InChI InChI=1S/C20H28N4OS/c1-3-5-23-16-15(17(25)24(6-4-2)19(23)26)21-18(22-16)20-10-12-7-13(11-20)9-14(20)8-12/h12-14H,3-11H2,1-2H3,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity against Adenosine A1 receptor from guinea pig forebrain membranes by N6-[3H]- cyclohexyladenosine displacement.				J Med Chem 36: 2508-18 (1993) BindingDB Entry DOI: 10.7270/Q2GX4C5K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50004587 (8-Adamantan-1-yl-1,3-dipropyl-3,7-dihydro-purine-2...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CC3CC(CC(C3)C1)C2 |TLB:24:19:26:25.23.22,24:23:26:18.19.20,20:21:25:18.19.24,THB:20:19:25:26.21.22| Show InChI InChI=1S/C21H30N4O2/c1-3-5-24-17-16(18(26)25(6-4-2)20(24)27)22-19(23-17)21-10-13-7-14(11-21)9-15(8-13)12-21/h13-15H,3-12H2,1-2H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Tested for binding affinity against Adenosine A1 receptor from rat forebrain membranes, using N6-[3H]- cyclohexyladenosine as radioligand				J Med Chem 36: 2508-18 (1993) BindingDB Entry DOI: 10.7270/Q2GX4C5K
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50290165 (8-[(E)-2-(2,4-Dimethoxy-3-methyl-phenyl)-vinyl]-1,...) Show SMILES CCn1c2nc(\C=C\c3ccc(OC)c(C)c3OC)n(C)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C21H26N4O4/c1-7-24-19-17(20(26)25(8-2)21(24)27)23(4)16(22-19)12-10-14-9-11-15(28-5)13(3)18(14)29-6/h9-12H,7-8H2,1-6H3/b12-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-CHA from Adenosine A1 receptor of rat forebrain membranes				Bioorg Med Chem Lett 7: 2349-2352 (1997) Article DOI: 10.1016/S0960-894X(97)00440-X BindingDB Entry DOI: 10.7270/Q2PV6KB7
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50006714 (7-Methyl-1,3-dipropyl-8-[(E)-2-(3,4,5-trimethoxy-p...) Show SMILES CCCn1c2nc(\C=C\c3cc(OC)c(OC)c(OC)c3)n(C)c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C23H30N4O5/c1-7-11-26-21-19(22(28)27(12-8-2)23(26)29)25(3)18(24-21)10-9-15-13-16(30-4)20(32-6)17(14-15)31-5/h9-10,13-14H,7-8,11-12H2,1-6H3/b10-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-CGS- 21680 from Adenosine A2a receptor of rat forebrain membranes (shielded from light)				Bioorg Med Chem Lett 7: 2349-2352 (1997) Article DOI: 10.1016/S0960-894X(97)00440-X BindingDB Entry DOI: 10.7270/Q2PV6KB7
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50093815 (CHEMBL3585948) Show SMILES Cc1ncc(OC[C@]2(C[C@H]2C(=O)Nc2ccc(Cl)cn2)c2ccccc2)c(C)n1 |r| Show InChI InChI=1S/C57H82Cl2N2O8/c1-33(2)14-12-15-34(3)43-20-21-44-40-19-18-38-26-35(22-24-56(38,10)45(40)23-25-57(43,44)11)16-13-17-39(36-27-41(50(64)46(58)29-36)52(66)60-31-48(62)68-54(4,5)6)37-28-42(51(65)47(59)30-37)53(67)61-32-49(63)69-55(7,8)9/h17,27-30,33-35,38,40,43-45,64-65H,12-16,18-26,31-32H2,1-11H3,(H,60,66)(H,61,67)/t34?,35-,38?,40?,43+,44?,45?,56-,57+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity to human OX2R by radioligand displacement binding assay				J Med Chem 58: 4648-64 (2015) Article DOI: 10.1021/acs.jmedchem.5b00217 BindingDB Entry DOI: 10.7270/Q2125VD7
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50290167 (1,3-Diethyl-8-[(E)-2-(4-methoxy-2,3-dimethyl-pheny...) Show SMILES CCn1c2nc(\C=C\c3ccc(OC)c(C)c3C)n(C)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C21H26N4O3/c1-7-24-19-18(20(26)25(8-2)21(24)27)23(5)17(22-19)12-10-15-9-11-16(28-6)14(4)13(15)3/h9-12H,7-8H2,1-6H3/b12-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-CGS- 21680 from Adenosine A2a receptor of rat forebrain membranes (shielded from light)				Bioorg Med Chem Lett 7: 2349-2352 (1997) Article DOI: 10.1016/S0960-894X(97)00440-X BindingDB Entry DOI: 10.7270/Q2PV6KB7
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50093788 (CHEMBL3585957) Show SMILES Cc1ncc(OC[C@]2(C[C@H]2C(=O)Nc2cc(C)c(F)cn2)c2cccc(F)c2)c(C)n1 |r| Show InChI InChI=1S/C19H28N2O/c22-19(17-9-5-2-6-10-17)20-18-12-14-21(15-18)13-11-16-7-3-1-4-8-16/h1,3-4,7-8,17-18H,2,5-6,9-15H2,(H,20,22)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity to human OX1R by radioligand displacement binding assay				J Med Chem 58: 4648-64 (2015) Article DOI: 10.1021/acs.jmedchem.5b00217 BindingDB Entry DOI: 10.7270/Q2125VD7
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50176050 (8-(3,4-dimethoxystyryl)-1,3-diethyl-7-methyl-1H-pu...) Show SMILES CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12H,6-7H2,1-5H3/b11-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-CGS- 21680 from Adenosine A2a receptor of rat forebrain membranes (shielded from light)				Bioorg Med Chem Lett 7: 2349-2352 (1997) Article DOI: 10.1016/S0960-894X(97)00440-X BindingDB Entry DOI: 10.7270/Q2PV6KB7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50290168 (1,3-Diethyl-7-methyl-8-[(E)-2-(2,3,4-trimethoxy-ph...) Show SMILES CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3OC)n(C)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C21H26N4O5/c1-7-24-19-16(20(26)25(8-2)21(24)27)23(3)15(22-19)12-10-13-9-11-14(28-4)18(30-6)17(13)29-5/h9-12H,7-8H2,1-6H3/b12-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-CGS- 21680 from Adenosine A2a receptor of rat forebrain membranes (shielded from light)				Bioorg Med Chem Lett 7: 2349-2352 (1997) Article DOI: 10.1016/S0960-894X(97)00440-X BindingDB Entry DOI: 10.7270/Q2PV6KB7
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50044432 (3-[2-(4-Amino-phenyl)-ethyl]-8-(hexahydro-2,5-meth...) Show SMILES CCCn1c(=O)n(CCc2ccc(N)cc2)c2nc([nH]c2c1=O)C12CC3CC1CC(C2)C3 |THB:28:27:24:30.29.31,28:29:24:27.26| Show InChI InChI=1S/C25H31N5O2/c1-2-8-30-22(31)20-21(29(24(30)32)9-7-15-3-5-19(26)6-4-15)28-23(27-20)25-13-16-10-17(14-25)12-18(25)11-16/h3-6,16-18H,2,7-14,26H2,1H3,(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity against Adenosine A1 receptor from guinea pig forebrain membranes by N6-[3H]- cyclohexyladenosine displacement.				J Med Chem 36: 2508-18 (1993) BindingDB Entry DOI: 10.7270/Q2GX4C5K
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50047184 (1,3-Diethyl-7-methyl-8-[(E)-2-(3,4,5-trimethoxy-ph...) Show SMILES CCn1c2nc(\C=C\c3cc(OC)c(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C21H26N4O5/c1-7-24-19-17(20(26)25(8-2)21(24)27)23(3)16(22-19)10-9-13-11-14(28-4)18(30-6)15(12-13)29-5/h9-12H,7-8H2,1-6H3/b10-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-CGS- 21680 from Adenosine A2a receptor of rat forebrain membranes (shielded from light)				Bioorg Med Chem Lett 7: 2349-2352 (1997) Article DOI: 10.1016/S0960-894X(97)00440-X BindingDB Entry DOI: 10.7270/Q2PV6KB7
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50003021 (7-Ethyl-2-(hexahydro-2,5-methano-pentalen-3a-yl)-4...) Show SMILES CCCn1c2nc(nc2c2N[C@H](CC)Cn2c1=O)C12CC3CC1CC(C2)C3 |THB:23:22:19:25.24.26,23:24:19:22.21| Show InChI InChI=1S/C21H29N5O/c1-3-5-25-18-16(17-22-15(4-2)11-26(17)20(25)27)23-19(24-18)21-9-12-6-13(10-21)8-14(21)7-12/h12-15,22H,3-11H2,1-2H3/t12?,13?,14?,15-,21?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity towards Adenosine A1 receptor using N6-[3H]-cyclohexyladenosine in guinea pig forebrain membranes				J Med Chem 35: 3578-81 (1992) BindingDB Entry DOI: 10.7270/Q28K781C
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50003021 (7-Ethyl-2-(hexahydro-2,5-methano-pentalen-3a-yl)-4...) Show SMILES CCCn1c2nc(nc2c2N[C@H](CC)Cn2c1=O)C12CC3CC1CC(C2)C3 |THB:23:22:19:25.24.26,23:24:19:22.21| Show InChI InChI=1S/C21H29N5O/c1-3-5-25-18-16(17-22-15(4-2)11-26(17)20(25)27)23-19(24-18)21-9-12-6-13(10-21)8-14(21)7-12/h12-15,22H,3-11H2,1-2H3/t12?,13?,14?,15-,21?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity against Adenosine A1 receptor from guinea pig forebrain membranes by N6-[3H]- cyclohexyladenosine displacement.				J Med Chem 36: 2508-18 (1993) BindingDB Entry DOI: 10.7270/Q2GX4C5K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50003024 ((8-(dicyclopropylmethyl)-1,3-dipropylxanthine)8-Di...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C1CC1)C1CC1 Show InChI InChI=1S/C18H26N4O2/c1-3-9-21-16-14(17(23)22(10-4-2)18(21)24)19-15(20-16)13(11-5-6-11)12-7-8-12/h11-13H,3-10H2,1-2H3,(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity against Adenosine A1 receptor from guinea pig forebrain membranes by N6-[3H]- cyclohexyladenosine displacement.				J Med Chem 36: 2508-18 (1993) BindingDB Entry DOI: 10.7270/Q2GX4C5K
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50093791 (CHEMBL3585955) Show SMILES Cc1ncc(OC[C@]2(C[C@H]2C(=O)Nc2ccc(F)cn2)c2cc(F)cc(F)c2)c(C)n1 |r| Show InChI InChI=1S/C22H19F3N4O2/c1-12-19(10-26-13(2)28-12)31-11-22(14-5-16(24)7-17(25)6-14)8-18(22)21(30)29-20-4-3-15(23)9-27-20/h3-7,9-10,18H,8,11H2,1-2H3,(H,27,29,30)/t18-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity to human OX2R by radioligand displacement binding assay				J Med Chem 58: 4648-64 (2015) Article DOI: 10.1021/acs.jmedchem.5b00217 BindingDB Entry DOI: 10.7270/Q2125VD7
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50093793 (E-2006 | Lemborexant) Show SMILES Cc1ncc(OC[C@]2(C[C@H]2C(=O)Nc2ccc(F)cn2)c2cccc(F)c2)c(C)n1 |r| Show InChI InChI=1S/C22H20F2N4O2/c1-13-19(11-25-14(2)27-13)30-12-22(15-4-3-5-16(23)8-15)9-18(22)21(29)28-20-7-6-17(24)10-26-20/h3-8,10-11,18H,9,12H2,1-2H3,(H,26,28,29)/t18-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity to human OX2R by radioligand displacement binding assay				J Med Chem 58: 4648-64 (2015) Article DOI: 10.1021/acs.jmedchem.5b00217 BindingDB Entry DOI: 10.7270/Q2125VD7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50093795 (CHEMBL3585952) Show SMILES COc1cc(NC(=O)[C@@H]2C[C@@]2(COc2cnc(C)nc2C)c2ccccc2)ncc1F |r| Show InChI InChI=1S/C23H23FN4O3/c1-14-20(12-25-15(2)27-14)31-13-23(16-7-5-4-6-8-16)10-17(23)22(29)28-21-9-19(30-3)18(24)11-26-21/h4-9,11-12,17H,10,13H2,1-3H3,(H,26,28,29)/t17-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity to human OX1R by radioligand displacement binding assay				J Med Chem 58: 4648-64 (2015) Article DOI: 10.1021/acs.jmedchem.5b00217 BindingDB Entry DOI: 10.7270/Q2125VD7
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50003024 ((8-(dicyclopropylmethyl)-1,3-dipropylxanthine)8-Di...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C1CC1)C1CC1 Show InChI InChI=1S/C18H26N4O2/c1-3-9-21-16-14(17(23)22(10-4-2)18(21)24)19-15(20-16)13(11-5-6-11)12-7-8-12/h11-13H,3-10H2,1-2H3,(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor using N6-[3H]-cyclohexyladenosine in guinea pig forebrain membranes				J Med Chem 35: 3578-81 (1992) BindingDB Entry DOI: 10.7270/Q28K781C
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50004583 (8-(Octahydro-pentalen-2-yl)-1,3-dipropyl-3,7-dihyd...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CC2CCCC2C1 Show InChI InChI=1S/C19H28N4O2/c1-3-8-22-17-15(18(24)23(9-4-2)19(22)25)20-16(21-17)14-10-12-6-5-7-13(12)11-14/h12-14H,3-11H2,1-2H3,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity against Adenosine A1 receptor from guinea pig forebrain membranes by N6-[3H]- cyclohexyladenosine displacement.				J Med Chem 36: 2508-18 (1993) BindingDB Entry DOI: 10.7270/Q2GX4C5K
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50243726 ((7R,9S)-7-(((3S,4R)-3-methyl-4-o-tolylpiperidin-1-...) Show SMILES C[C@@H]1CN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)CC[C@H]1c1ccccc1C |r| Show InChI InChI=1S/C24H32N2O/c1-17-6-3-4-8-21(17)22-11-13-26(15-18(22)2)16-19-9-10-20-7-5-12-25-24(20)23(27)14-19/h3-8,12,18-19,22-23,27H,9-11,13-16H2,1-2H3/t18-,19-,22-,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Tsukuba Research Institute Curated by ChEMBL					Assay Description Displacement of [125I][Tyr14]nociceptin from human ORL1 expressed in CHO cells				J Med Chem 51: 4021-9 (2008) Article DOI: 10.1021/jm701590h BindingDB Entry DOI: 10.7270/Q2KW5FTW
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50243729 ((7R,9S)-7-(((3S,4S)-4-(4-fluoro-2-methylphenyl)-3-...) Show SMILES Cc1cc(F)ccc1[C@@H]1CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)C[C@H]1O |r| Show InChI InChI=1S/C23H29FN2O2/c1-15-11-18(24)6-7-19(15)20-8-10-26(14-22(20)28)13-16-4-5-17-3-2-9-25-23(17)21(27)12-16/h2-3,6-7,9,11,16,20-22,27-28H,4-5,8,10,12-14H2,1H3/t16-,20+,21+,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Displacement of [125I][Tyr14]nociceptin from human ORL1 expressed in CHO cells				J Med Chem 51: 4021-9 (2008) Article DOI: 10.1021/jm701590h BindingDB Entry DOI: 10.7270/Q2KW5FTW
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50290168 (1,3-Diethyl-7-methyl-8-[(E)-2-(2,3,4-trimethoxy-ph...) Show SMILES CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3OC)n(C)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C21H26N4O5/c1-7-24-19-16(20(26)25(8-2)21(24)27)23(3)15(22-19)12-10-13-9-11-14(28-4)18(30-6)17(13)29-5/h9-12H,7-8H2,1-6H3/b12-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity against Adenosine A2a receptor in rat forebrain membranes by [3H]-NECA (+CPA) displacement.				Bioorg Med Chem Lett 7: 2349-2352 (1997) Article DOI: 10.1016/S0960-894X(97)00440-X BindingDB Entry DOI: 10.7270/Q2PV6KB7
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50290169 (8-[(E)-2-(4-Methoxy-2,3-dimethyl-phenyl)-vinyl]-7-...) Show SMILES CCCn1c2nc(\C=C\c3ccc(OC)c(C)c3C)n(C)c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C23H30N4O3/c1-7-13-26-21-20(22(28)27(14-8-2)23(26)29)25(5)19(24-21)12-10-17-9-11-18(30-6)16(4)15(17)3/h9-12H,7-8,13-14H2,1-6H3/b12-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity against Adenosine A2a receptor in rat forebrain membranes by [3H]-NECA (+CPA) displacement.				Bioorg Med Chem Lett 7: 2349-2352 (1997) Article DOI: 10.1016/S0960-894X(97)00440-X BindingDB Entry DOI: 10.7270/Q2PV6KB7
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50093788 (CHEMBL3585957) Show SMILES Cc1ncc(OC[C@]2(C[C@H]2C(=O)Nc2cc(C)c(F)cn2)c2cccc(F)c2)c(C)n1 |r| Show InChI InChI=1S/C19H28N2O/c22-19(17-9-5-2-6-10-17)20-18-12-14-21(15-18)13-11-16-7-3-1-4-8-16/h1,3-4,7-8,17-18H,2,5-6,9-15H2,(H,20,22)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity to human OX2R by radioligand displacement binding assay				J Med Chem 58: 4648-64 (2015) Article DOI: 10.1021/acs.jmedchem.5b00217 BindingDB Entry DOI: 10.7270/Q2125VD7
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50093790 (CHEMBL3585956) Show SMILES Cc1ncc(OC[C@]2(C[C@H]2C(=O)Nc2ccc(F)cn2)c2ccc(F)c(F)c2)c(C)n1 |r| Show InChI InChI=1S/C22H19F3N4O2/c1-12-19(10-26-13(2)28-12)31-11-22(14-3-5-17(24)18(25)7-14)8-16(22)21(30)29-20-6-4-15(23)9-27-20/h3-7,9-10,16H,8,11H2,1-2H3,(H,27,29,30)/t16-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity to human OX2R by radioligand displacement binding assay				J Med Chem 58: 4648-64 (2015) Article DOI: 10.1021/acs.jmedchem.5b00217 BindingDB Entry DOI: 10.7270/Q2125VD7
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50093798 (CHEMBL3585951) Show SMILES Cc1ncc(OC[C@]2(C[C@H]2C(=O)Nc2cc(C)c(F)cn2)c2ccccc2)c(C)n1 |r| Show InChI InChI=1S/C19H22N2O/c22-19(17-9-5-2-6-10-17)20-18-12-14-21(15-18)13-11-16-7-3-1-4-8-16/h1-10,18H,11-15H2,(H,20,22)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity to human OX2R by radioligand displacement binding assay				J Med Chem 58: 4648-64 (2015) Article DOI: 10.1021/acs.jmedchem.5b00217 BindingDB Entry DOI: 10.7270/Q2125VD7
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50243727 ((7R,9S)-7-(((3S,4R)-3-(hydroxymethyl)-4-o-tolylpip...) Show SMILES Cc1ccccc1[C@@H]1CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)C[C@H]1CO |r| Show InChI InChI=1S/C24H32N2O2/c1-17-5-2-3-7-21(17)22-10-12-26(15-20(22)16-27)14-18-8-9-19-6-4-11-25-24(19)23(28)13-18/h2-7,11,18,20,22-23,27-28H,8-10,12-16H2,1H3/t18-,20+,22-,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Displacement of [125I][Tyr14]nociceptin from human ORL1 expressed in CHO cells				J Med Chem 51: 4021-9 (2008) Article DOI: 10.1021/jm701590h BindingDB Entry DOI: 10.7270/Q2KW5FTW
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50243730 ((7R,9S)-7-(((3R,4R)-4-(2-chloro-4-fluorophenyl)-3-...) Show SMILES O[C@H]1CN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)CC[C@@H]1c1ccc(F)cc1Cl |r| Show InChI InChI=1S/C22H26ClFN2O2/c23-19-11-16(24)5-6-17(19)18-7-9-26(13-21(18)28)12-14-3-4-15-2-1-8-25-22(15)20(27)10-14/h1-2,5-6,8,11,14,18,20-21,27-28H,3-4,7,9-10,12-13H2/t14-,18-,20+,21+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Displacement of [125I][Tyr14]nociceptin from human ORL1 expressed in CHO cells				J Med Chem 51: 4021-9 (2008) Article DOI: 10.1021/jm701590h BindingDB Entry DOI: 10.7270/Q2KW5FTW
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50006703 (8-[(E)-2-(4-Methoxy-phenyl)-vinyl]-7-methyl-1,3-di...) Show SMILES CCCn1c2nc(\C=C\c3ccc(OC)cc3)n(C)c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C21H26N4O3/c1-5-13-24-19-18(20(26)25(14-6-2)21(24)27)23(3)17(22-19)12-9-15-7-10-16(28-4)11-8-15/h7-12H,5-6,13-14H2,1-4H3/b12-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-CGS- 21680 from Adenosine A2a receptor of rat forebrain membranes (shielded from light)				Bioorg Med Chem Lett 7: 2349-2352 (1997) Article DOI: 10.1016/S0960-894X(97)00440-X BindingDB Entry DOI: 10.7270/Q2PV6KB7
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50006702 (7-Methyl-1,3-dipropyl-8-((E)-styryl)-3,7-dihydro-p...) Show SMILES CCCn1c2nc(\C=C\c3ccccc3)n(C)c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C20H24N4O2/c1-4-13-23-18-17(19(25)24(14-5-2)20(23)26)22(3)16(21-18)12-11-15-9-7-6-8-10-15/h6-12H,4-5,13-14H2,1-3H3/b12-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity against Adenosine A2a receptor in rat forebrain membranes by [3H]-NECA (+CPA) displacement.				Bioorg Med Chem Lett 7: 2349-2352 (1997) Article DOI: 10.1016/S0960-894X(97)00440-X BindingDB Entry DOI: 10.7270/Q2PV6KB7
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50029064 (CHEMBL3343259) Show SMILES COc1ccc(OC[C@]2(C[C@H]2C(=O)Nc2ccc(cn2)C#N)c2ccccc2)cc1OC |r| Show InChI InChI=1S/C25H23N3O4/c1-30-21-10-9-19(12-22(21)31-2)32-16-25(18-6-4-3-5-7-18)13-20(25)24(29)28-23-11-8-17(14-26)15-27-23/h3-12,15,20H,13,16H2,1-2H3,(H,27,28,29)/t20-,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity to human OX2R by radioligand displacement binding assay				J Med Chem 58: 4648-64 (2015) Article DOI: 10.1021/acs.jmedchem.5b00217 BindingDB Entry DOI: 10.7270/Q2125VD7
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50044429 (3-[2-(4-Amino-phenyl)-ethyl]-8-cyclopentyl-1-propy...) Show SMILES CCCn1c(=O)n(CCc2ccc(N)cc2)c2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C21H27N5O2/c1-2-12-26-20(27)17-19(24-18(23-17)15-5-3-4-6-15)25(21(26)28)13-11-14-7-9-16(22)10-8-14/h7-10,15H,2-6,11-13,22H2,1H3,(H,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity against Adenosine A1 receptor from guinea pig forebrain membranes by N6-[3H]- cyclohexyladenosine displacement.				J Med Chem 36: 2508-18 (1993) BindingDB Entry DOI: 10.7270/Q2GX4C5K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50003023 (7-Ethyl-2-(hexahydro-2,5-methano-pentalen-3a-yl)-4...) Show SMILES CCCn1c2nc(nc2c2NC(CC)Cn2c1=O)C12CC3CC1CC(C2)C3 |THB:23:22:19:25.24.26,23:24:19:22.21| Show InChI InChI=1S/C21H29N5O/c1-3-5-25-18-16(17-22-15(4-2)11-26(17)20(25)27)23-19(24-18)21-9-12-6-13(10-21)8-14(21)7-12/h12-15,22H,3-11H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity towardsAdenosine A1 receptor using N6-[3H]-cyclohexyladenosine in guinea pig forebrain membranes				J Med Chem 35: 3578-81 (1992) BindingDB Entry DOI: 10.7270/Q28K781C
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50003023 (7-Ethyl-2-(hexahydro-2,5-methano-pentalen-3a-yl)-4...) Show SMILES CCCn1c2nc(nc2c2NC(CC)Cn2c1=O)C12CC3CC1CC(C2)C3 |THB:23:22:19:25.24.26,23:24:19:22.21| Show InChI InChI=1S/C21H29N5O/c1-3-5-25-18-16(17-22-15(4-2)11-26(17)20(25)27)23-19(24-18)21-9-12-6-13(10-21)8-14(21)7-12/h12-15,22H,3-11H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity against Adenosine A1 receptor from guinea pig forebrain membranes by N6-[3H]- cyclohexyladenosine displacement.				J Med Chem 36: 2508-18 (1993) BindingDB Entry DOI: 10.7270/Q2GX4C5K
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50093793 (E-2006 | Lemborexant) Show SMILES Cc1ncc(OC[C@]2(C[C@H]2C(=O)Nc2ccc(F)cn2)c2cccc(F)c2)c(C)n1 |r| Show InChI InChI=1S/C22H20F2N4O2/c1-13-19(11-25-14(2)27-13)30-12-22(15-4-3-5-16(23)8-15)9-18(22)21(29)28-20-7-6-17(24)10-26-20/h3-8,10-11,18H,9,12H2,1-2H3,(H,26,28,29)/t18-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity to human OX1R expressed in HEK-293 cells assessed as inhibition of orexin A-induced calcium accumulation by FLIPR assay				J Med Chem 58: 4648-64 (2015) Article DOI: 10.1021/acs.jmedchem.5b00217 BindingDB Entry DOI: 10.7270/Q2125VD7
					More data for this Ligand-Target Pair				3D Structure (crystal)

Displayed 1 to 50 (of 1280 total )  |  Next  |  Last  >>

Jump to: