Compile Data Set for Download or QSAR

Found 3168 hits with Last Name = 'takahashi' and Initial = 'h'   

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
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM194790 (US9206167, 11 | US9206167, 12 | USRE48059, Compoun...) Show SMILES O=C1CCc2ccc(OCCCCN3CCN(CC3)c3cccc4sccc34)cc2N1 Show InChI InChI=1S/C25H29N3O2S/c29-25-9-7-19-6-8-20(18-22(19)26-25)30-16-2-1-11-27-12-14-28(15-13-27)23-4-3-5-24-21(23)10-17-31-24/h3-6,8,10,17-18H,1-2,7,9,11-16H2,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Otsuka Pharmaceutical Co., Ltd. US Patent					Assay Description Dopamine D2: The binding assay was performed using 40 μl of the membrane specimen, 20 μl of [3H]-raclopride (final concentration 1 to 2 nM)...				US Patent USRE48059 (2020) BindingDB Entry DOI: 10.7270/Q2833W3C
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM194790 (US9206167, 11 | US9206167, 12 | USRE48059, Compoun...) Show SMILES O=C1CCc2ccc(OCCCCN3CCN(CC3)c3cccc4sccc34)cc2N1 Show InChI InChI=1S/C25H29N3O2S/c29-25-9-7-19-6-8-20(18-22(19)26-25)30-16-2-1-11-27-12-14-28(15-13-27)23-4-3-5-24-21(23)10-17-31-24/h3-6,8,10,17-18H,1-2,7,9,11-16H2,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Otsuka Pharmaceutical Co., Ltd. US Patent					Assay Description Dopamine D2: The binding assay was performed using 40 μl of the membrane specimen, 20 μl of [3H]-raclopride (final concentration 1 to 2 nM)...				US Patent USRE48059 (2020) BindingDB Entry DOI: 10.7270/Q2833W3C
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM194790 (US9206167, 11 | US9206167, 12 | USRE48059, Compoun...) Show SMILES O=C1CCc2ccc(OCCCCN3CCN(CC3)c3cccc4sccc34)cc2N1 Show InChI InChI=1S/C25H29N3O2S/c29-25-9-7-19-6-8-20(18-22(19)26-25)30-16-2-1-11-27-12-14-28(15-13-27)23-4-3-5-24-21(23)10-17-31-24/h3-6,8,10,17-18H,1-2,7,9,11-16H2,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.100	-57.1	n/a	n/a	n/a	n/a	n/a	7.4	25
OTSUKA PHARMACEUTICAL CO., LTD. US Patent					Assay Description The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...				US Patent US9206167 (2015) BindingDB Entry DOI: 10.7270/Q2XD10GS
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM194790 (US9206167, 11 | US9206167, 12 | USRE48059, Compoun...) Show SMILES O=C1CCc2ccc(OCCCCN3CCN(CC3)c3cccc4sccc34)cc2N1 Show InChI InChI=1S/C25H29N3O2S/c29-25-9-7-19-6-8-20(18-22(19)26-25)30-16-2-1-11-27-12-14-28(15-13-27)23-4-3-5-24-21(23)10-17-31-24/h3-6,8,10,17-18H,1-2,7,9,11-16H2,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.100	-57.1	n/a	n/a	n/a	n/a	n/a	7.4	25
OTSUKA PHARMACEUTICAL CO., LTD. US Patent					Assay Description The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...				US Patent US9206167 (2015) BindingDB Entry DOI: 10.7270/Q2XD10GS
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM194772 (US9206167, 139) Show SMILES OCc1cc2CCC(=O)Nc2cc1OCCCN1CCN(CC1)c1cccc2sccc12 Show InChI InChI=1S/C25H29N3O3S/c29-17-19-15-18-5-6-25(30)26-21(18)16-23(19)31-13-2-8-27-9-11-28(12-10-27)22-3-1-4-24-20(22)7-14-32-24/h1,3-4,7,14-16,29H,2,5-6,8-13,17H2,(H,26,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.200	-55.4	n/a	n/a	n/a	n/a	n/a	7.4	25
OTSUKA PHARMACEUTICAL CO., LTD. US Patent					Assay Description The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...				US Patent US9206167 (2015) BindingDB Entry DOI: 10.7270/Q2XD10GS
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM194794 (US9206167, 15 | USRE48059, Compound of Example 15) Show SMILES O=C1CCc2ccc(OC\C=C\CN3CCN(CC3)c3cccc4sccc34)cc2N1 Show InChI InChI=1S/C25H27N3O2S/c29-25-9-7-19-6-8-20(18-22(19)26-25)30-16-2-1-11-27-12-14-28(15-13-27)23-4-3-5-24-21(23)10-17-31-24/h1-6,8,10,17-18H,7,9,11-16H2,(H,26,29)/b2-1+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.200	-55.4	n/a	n/a	n/a	n/a	n/a	7.4	25
OTSUKA PHARMACEUTICAL CO., LTD. US Patent					Assay Description The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...				US Patent US9206167 (2015) BindingDB Entry DOI: 10.7270/Q2XD10GS
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM194780 (7-(4-(4-(1-benzothiophen-4-yl)piperazin-1-yl)butox...) Show SMILES O=c1ccc2ccc(OCCCCN3CCN(CC3)c3cccc4sccc34)cc2[nH]1 Show InChI InChI=1S/C25H27N3O2S/c29-25-9-7-19-6-8-20(18-22(19)26-25)30-16-2-1-11-27-12-14-28(15-13-27)23-4-3-5-24-21(23)10-17-31-24/h3-10,17-18H,1-2,11-16H2,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem	US Patent	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Otsuka Pharmaceutical Co., Ltd. US Patent					Assay Description Dopamine D2: The binding assay was performed using 40 μl of the membrane specimen, 20 μl of [3H]-raclopride (final concentration 1 to 2 nM)...				US Patent USRE48059 (2020) BindingDB Entry DOI: 10.7270/Q2833W3C
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM448338 (USRE48059, Compound of Example 139) Show SMILES OCc1cc2CCC(=C)Nc2cc1CCCN1CCN(CC1)c1cccc2sccc12 Show InChI InChI=1S/C26H31N3OS/c1-19-7-8-21-16-22(18-30)20(17-24(21)27-19)4-3-10-28-11-13-29(14-12-28)25-5-2-6-26-23(25)9-15-31-26/h2,5-6,9,15-17,27,30H,1,3-4,7-8,10-14,18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Otsuka Pharmaceutical Co., Ltd. US Patent					Assay Description Dopamine D2: The binding assay was performed using 40 μl of the membrane specimen, 20 μl of [3H]-raclopride (final concentration 1 to 2 nM)...				US Patent USRE48059 (2020) BindingDB Entry DOI: 10.7270/Q2833W3C
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM194780 (7-(4-(4-(1-benzothiophen-4-yl)piperazin-1-yl)butox...) Show SMILES O=c1ccc2ccc(OCCCCN3CCN(CC3)c3cccc4sccc34)cc2[nH]1 Show InChI InChI=1S/C25H27N3O2S/c29-25-9-7-19-6-8-20(18-22(19)26-25)30-16-2-1-11-27-12-14-28(15-13-27)23-4-3-5-24-21(23)10-17-31-24/h3-10,17-18H,1-2,11-16H2,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem	US Patent	0.200	-55.4	n/a	n/a	n/a	n/a	n/a	7.4	25
OTSUKA PHARMACEUTICAL CO., LTD. US Patent					Assay Description The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...				US Patent US9206167 (2015) BindingDB Entry DOI: 10.7270/Q2XD10GS
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM194794 (US9206167, 15 | USRE48059, Compound of Example 15) Show SMILES O=C1CCc2ccc(OC\C=C\CN3CCN(CC3)c3cccc4sccc34)cc2N1 Show InChI InChI=1S/C25H27N3O2S/c29-25-9-7-19-6-8-20(18-22(19)26-25)30-16-2-1-11-27-12-14-28(15-13-27)23-4-3-5-24-21(23)10-17-31-24/h1-6,8,10,17-18H,7,9,11-16H2,(H,26,29)/b2-1+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Otsuka Pharmaceutical Co., Ltd. US Patent					Assay Description Dopamine D2: The binding assay was performed using 40 μl of the membrane specimen, 20 μl of [3H]-raclopride (final concentration 1 to 2 nM)...				US Patent USRE48059 (2020) BindingDB Entry DOI: 10.7270/Q2833W3C
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM194764 (US9206167, 90) Show SMILES CC(=O)N1CCc2ccc(COCCCCN3CCN(CC3)c3cccc4sccc34)cc2C1 Show InChI InChI=1S/C28H35N3O2S/c1-22(32)31-12-9-24-8-7-23(19-25(24)20-31)21-33-17-3-2-11-29-13-15-30(16-14-29)27-5-4-6-28-26(27)10-18-34-28/h4-8,10,18-19H,2-3,9,11-17,20-21H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.400	-53.6	n/a	n/a	n/a	n/a	n/a	7.4	25
OTSUKA PHARMACEUTICAL CO., LTD. US Patent					Assay Description The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...				US Patent US9206167 (2015) BindingDB Entry DOI: 10.7270/Q2XD10GS
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM194789 (US9206167, 10 | USRE48059, Compound of Example 10) Show SMILES O=C1CCc2ccc(OCCCN3CCN(CC3)c3cccc4sccc34)cc2N1 Show InChI InChI=1S/C24H27N3O2S/c28-24-8-6-18-5-7-19(17-21(18)25-24)29-15-2-10-26-11-13-27(14-12-26)22-3-1-4-23-20(22)9-16-30-23/h1,3-5,7,9,16-17H,2,6,8,10-15H2,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.400	-53.6	n/a	n/a	n/a	n/a	n/a	7.4	25
OTSUKA PHARMACEUTICAL CO., LTD. US Patent					Assay Description The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...				US Patent US9206167 (2015) BindingDB Entry DOI: 10.7270/Q2XD10GS
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM448330 (USRE48059, Compound of Example 90) Show SMILES CC(=O)N1CCc2ccc(OCCCCN3CCN(CC3)c3cccc4sccc34)cc2C1 Show InChI InChI=1S/C27H33N3O2S/c1-21(31)30-12-9-22-7-8-24(19-23(22)20-30)32-17-3-2-11-28-13-15-29(16-14-28)26-5-4-6-27-25(26)10-18-33-27/h4-8,10,18-19H,2-3,9,11-17,20H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Otsuka Pharmaceutical Co., Ltd. US Patent					Assay Description Dopamine D2: The binding assay was performed using 40 μl of the membrane specimen, 20 μl of [3H]-raclopride (final concentration 1 to 2 nM)...				US Patent USRE48059 (2020) BindingDB Entry DOI: 10.7270/Q2833W3C
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM194789 (US9206167, 10 | USRE48059, Compound of Example 10) Show SMILES O=C1CCc2ccc(OCCCN3CCN(CC3)c3cccc4sccc34)cc2N1 Show InChI InChI=1S/C24H27N3O2S/c28-24-8-6-18-5-7-19(17-21(18)25-24)29-15-2-10-26-11-13-27(14-12-26)22-3-1-4-23-20(22)9-16-30-23/h1,3-5,7,9,16-17H,2,6,8,10-15H2,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Otsuka Pharmaceutical Co., Ltd. US Patent					Assay Description Dopamine D2: The binding assay was performed using 40 μl of the membrane specimen, 20 μl of [3H]-raclopride (final concentration 1 to 2 nM)...				US Patent USRE48059 (2020) BindingDB Entry DOI: 10.7270/Q2833W3C
					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
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM194786 (US9206167, 7 | USRE48059, Compound of Example 7) Show SMILES O=c1ccc2ccc(OCCCN3CCN(CC3)c3cccc4sccc34)cc2[nH]1 Show InChI InChI=1S/C24H25N3O2S/c28-24-8-6-18-5-7-19(17-21(18)25-24)29-15-2-10-26-11-13-27(14-12-26)22-3-1-4-23-20(22)9-16-30-23/h1,3-9,16-17H,2,10-15H2,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Otsuka Pharmaceutical Co., Ltd. US Patent					Assay Description Dopamine D2: The binding assay was performed using 40 μl of the membrane specimen, 20 μl of [3H]-raclopride (final concentration 1 to 2 nM)...				US Patent USRE48059 (2020) BindingDB Entry DOI: 10.7270/Q2833W3C
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM194783 (US9206167, 4 | USRE48059, Compound of Example 4) Show SMILES Cc1cc(=O)[nH]c2cc(OCCCCN3CCN(CC3)c3cccc4sccc34)ccc12 Show InChI InChI=1S/C26H29N3O2S/c1-19-17-26(30)27-23-18-20(7-8-21(19)23)31-15-3-2-10-28-11-13-29(14-12-28)24-5-4-6-25-22(24)9-16-32-25/h4-9,16-18H,2-3,10-15H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Otsuka Pharmaceutical Co., Ltd. US Patent					Assay Description Dopamine D2: The binding assay was performed using 40 μl of the membrane specimen, 20 μl of [3H]-raclopride (final concentration 1 to 2 nM)...				US Patent USRE48059 (2020) BindingDB Entry DOI: 10.7270/Q2833W3C
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM194782 (US9206167, 3 | USRE48059, Compound of Example 3) Show SMILES Cc1cc(=O)[nH]c2cc(OCCCN3CCN(CC3)c3cccc4sccc34)ccc12 Show InChI InChI=1S/C25H27N3O2S/c1-18-16-25(29)26-22-17-19(6-7-20(18)22)30-14-3-9-27-10-12-28(13-11-27)23-4-2-5-24-21(23)8-15-31-24/h2,4-8,15-17H,3,9-14H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Otsuka Pharmaceutical Co., Ltd. US Patent					Assay Description Dopamine D2: The binding assay was performed using 40 μl of the membrane specimen, 20 μl of [3H]-raclopride (final concentration 1 to 2 nM)...				US Patent USRE48059 (2020) BindingDB Entry DOI: 10.7270/Q2833W3C
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM194786 (US9206167, 7 | USRE48059, Compound of Example 7) Show SMILES O=c1ccc2ccc(OCCCN3CCN(CC3)c3cccc4sccc34)cc2[nH]1 Show InChI InChI=1S/C24H25N3O2S/c28-24-8-6-18-5-7-19(17-21(18)25-24)29-15-2-10-26-11-13-27(14-12-26)22-3-1-4-23-20(22)9-16-30-23/h1,3-9,16-17H,2,10-15H2,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.5	-53.1	n/a	n/a	n/a	n/a	n/a	7.4	25
OTSUKA PHARMACEUTICAL CO., LTD. US Patent					Assay Description The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...				US Patent US9206167 (2015) BindingDB Entry DOI: 10.7270/Q2XD10GS
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM194783 (US9206167, 4 | USRE48059, Compound of Example 4) Show SMILES Cc1cc(=O)[nH]c2cc(OCCCCN3CCN(CC3)c3cccc4sccc34)ccc12 Show InChI InChI=1S/C26H29N3O2S/c1-19-17-26(30)27-23-18-20(7-8-21(19)23)31-15-3-2-10-28-11-13-29(14-12-28)24-5-4-6-25-22(24)9-16-32-25/h4-9,16-18H,2-3,10-15H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.5	-53.1	n/a	n/a	n/a	n/a	n/a	7.4	25
OTSUKA PHARMACEUTICAL CO., LTD. US Patent					Assay Description The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...				US Patent US9206167 (2015) BindingDB Entry DOI: 10.7270/Q2XD10GS
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM194782 (US9206167, 3 | USRE48059, Compound of Example 3) Show SMILES Cc1cc(=O)[nH]c2cc(OCCCN3CCN(CC3)c3cccc4sccc34)ccc12 Show InChI InChI=1S/C25H27N3O2S/c1-18-16-25(29)26-22-17-19(6-7-20(18)22)30-14-3-9-27-10-12-28(13-11-27)23-4-2-5-24-21(23)8-15-31-24/h2,4-8,15-17H,3,9-14H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.5	-53.1	n/a	n/a	n/a	n/a	n/a	7.4	25
OTSUKA PHARMACEUTICAL CO., LTD. US Patent					Assay Description The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...				US Patent US9206167 (2015) BindingDB Entry DOI: 10.7270/Q2XD10GS
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM194784 (US9206167, 5 | USRE48059, Compound of Example 5) Show SMILES Cc1cc2ccc(OCCCN3CCN(CC3)c3cccc4sccc34)cc2[nH]c1=O Show InChI InChI=1S/C25H27N3O2S/c1-18-16-19-6-7-20(17-22(19)26-25(18)29)30-14-3-9-27-10-12-28(13-11-27)23-4-2-5-24-21(23)8-15-31-24/h2,4-8,15-17H,3,9-14H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Otsuka Pharmaceutical Co., Ltd. US Patent					Assay Description Dopamine D2: The binding assay was performed using 40 μl of the membrane specimen, 20 μl of [3H]-raclopride (final concentration 1 to 2 nM)...				US Patent USRE48059 (2020) BindingDB Entry DOI: 10.7270/Q2833W3C
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM194784 (US9206167, 5 | USRE48059, Compound of Example 5) Show SMILES Cc1cc2ccc(OCCCN3CCN(CC3)c3cccc4sccc34)cc2[nH]c1=O Show InChI InChI=1S/C25H27N3O2S/c1-18-16-19-6-7-20(17-22(19)26-25(18)29)30-14-3-9-27-10-12-28(13-11-27)23-4-2-5-24-21(23)8-15-31-24/h2,4-8,15-17H,3,9-14H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.600	-52.6	n/a	n/a	n/a	n/a	n/a	7.4	25
OTSUKA PHARMACEUTICAL CO., LTD. US Patent					Assay Description The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...				US Patent US9206167 (2015) BindingDB Entry DOI: 10.7270/Q2XD10GS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM194787 (US9206167, 8 | USRE48059, Compound of Example 8) Show SMILES O=c1ccc2ccccc2n1CCCCN1CCN(CC1)c1cccc2sccc12 Show InChI InChI=1S/C25H27N3OS/c29-25-11-10-20-6-1-2-7-22(20)28(25)14-4-3-13-26-15-17-27(18-16-26)23-8-5-9-24-21(23)12-19-30-24/h1-2,5-12,19H,3-4,13-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Otsuka Pharmaceutical Co., Ltd. US Patent					Assay Description 5-HT2A: The binding assay was performed using 40 μl of the membrane specimen, 20 μl of [3H]-Ketanserin (final concentration 1 to 3 nM), 20 ...				US Patent USRE48059 (2020) BindingDB Entry DOI: 10.7270/Q2833W3C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM194787 (US9206167, 8 | USRE48059, Compound of Example 8) Show SMILES O=c1ccc2ccccc2n1CCCCN1CCN(CC1)c1cccc2sccc12 Show InChI InChI=1S/C25H27N3OS/c29-25-11-10-20-6-1-2-7-22(20)28(25)14-4-3-13-26-15-17-27(18-16-26)23-8-5-9-24-21(23)12-19-30-24/h1-2,5-12,19H,3-4,13-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.600	-54.8	n/a	n/a	n/a	n/a	n/a	7.4	37
OTSUKA PHARMACEUTICAL CO., LTD. US Patent					Assay Description The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (...				US Patent US9206167 (2015) BindingDB Entry DOI: 10.7270/Q2XD10GS
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM194802 (US9206167, 23 | USRE48059, Compound of Example 23) Show SMILES O=C1N(CCCCN2CCN(CC2)c2cccc3sccc23)CCc2ccccc12 Show InChI InChI=1S/C25H29N3OS/c29-25-21-7-2-1-6-20(21)10-14-28(25)13-4-3-12-26-15-17-27(18-16-26)23-8-5-9-24-22(23)11-19-30-24/h1-2,5-9,11,19H,3-4,10,12-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Otsuka Pharmaceutical Co., Ltd. US Patent					Assay Description Dopamine D2: The binding assay was performed using 40 μl of the membrane specimen, 20 μl of [3H]-raclopride (final concentration 1 to 2 nM)...				US Patent USRE48059 (2020) BindingDB Entry DOI: 10.7270/Q2833W3C
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM194795 (US9206167, 16 | USRE48059, Compound of Example 16) Show SMILES CC1CC(=O)Nc2cc(OCCCCN3CCN(CC3)c3cccc4sccc34)ccc12 Show InChI InChI=1S/C26H31N3O2S/c1-19-17-26(30)27-23-18-20(7-8-21(19)23)31-15-3-2-10-28-11-13-29(14-12-28)24-5-4-6-25-22(24)9-16-32-25/h4-9,16,18-19H,2-3,10-15,17H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.700	-52.3	n/a	n/a	n/a	n/a	n/a	7.4	25
OTSUKA PHARMACEUTICAL CO., LTD. US Patent					Assay Description The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...				US Patent US9206167 (2015) BindingDB Entry DOI: 10.7270/Q2XD10GS
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM194802 (US9206167, 23 | USRE48059, Compound of Example 23) Show SMILES O=C1N(CCCCN2CCN(CC2)c2cccc3sccc23)CCc2ccccc12 Show InChI InChI=1S/C25H29N3OS/c29-25-21-7-2-1-6-20(21)10-14-28(25)13-4-3-12-26-15-17-27(18-16-26)23-8-5-9-24-22(23)11-19-30-24/h1-2,5-9,11,19H,3-4,10,12-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.700	-52.3	n/a	n/a	n/a	n/a	n/a	7.4	25
OTSUKA PHARMACEUTICAL CO., LTD. US Patent					Assay Description The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...				US Patent US9206167 (2015) BindingDB Entry DOI: 10.7270/Q2XD10GS
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM194795 (US9206167, 16 | USRE48059, Compound of Example 16) Show SMILES CC1CC(=O)Nc2cc(OCCCCN3CCN(CC3)c3cccc4sccc34)ccc12 Show InChI InChI=1S/C26H31N3O2S/c1-19-17-26(30)27-23-18-20(7-8-21(19)23)31-15-3-2-10-28-11-13-29(14-12-28)24-5-4-6-25-22(24)9-16-32-25/h4-9,16,18-19H,2-3,10-15,17H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Otsuka Pharmaceutical Co., Ltd. US Patent					Assay Description Dopamine D2: The binding assay was performed using 40 μl of the membrane specimen, 20 μl of [3H]-raclopride (final concentration 1 to 2 nM)...				US Patent USRE48059 (2020) BindingDB Entry DOI: 10.7270/Q2833W3C
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM194808 (US10501452, Compound B | US9206167, 30 | USRE48059...) Show SMILES CN1CCc2ccc(OCCCN3CCN(CC3)c3cccc4sccc34)cc2C1=O Show InChI InChI=1S/C25H29N3O2S/c1-26-11-8-19-6-7-20(18-22(19)25(26)29)30-16-3-10-27-12-14-28(15-13-27)23-4-2-5-24-21(23)9-17-31-24/h2,4-7,9,17-18H,3,8,10-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Otsuka Pharmaceutical Co., Ltd. US Patent					Assay Description Dopamine D2: The binding assay was performed using 40 μl of the membrane specimen, 20 μl of [3H]-raclopride (final concentration 1 to 2 nM)...				US Patent USRE48059 (2020) BindingDB Entry DOI: 10.7270/Q2833W3C
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM194808 (US10501452, Compound B | US9206167, 30 | USRE48059...) Show SMILES CN1CCc2ccc(OCCCN3CCN(CC3)c3cccc4sccc34)cc2C1=O Show InChI InChI=1S/C25H29N3O2S/c1-26-11-8-19-6-7-20(18-22(19)25(26)29)30-16-3-10-27-12-14-28(15-13-27)23-4-2-5-24-21(23)9-17-31-24/h2,4-7,9,17-18H,3,8,10-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	0.700	-52.3	n/a	n/a	n/a	n/a	n/a	7.4	25
OTSUKA PHARMACEUTICAL CO., LTD. US Patent					Assay Description The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...				US Patent US9206167 (2015) BindingDB Entry DOI: 10.7270/Q2XD10GS
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM448327 (USRE48059, Compound of Example 81) Show SMILES CC(=C)n1ccc2cc(OCCCN3CCN(CC3)c3cccc4sccc34)ccc2c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Otsuka Pharmaceutical Co., Ltd. US Patent					Assay Description Dopamine D2: The binding assay was performed using 40 μl of the membrane specimen, 20 μl of [3H]-raclopride (final concentration 1 to 2 nM)...				US Patent USRE48059 (2020) BindingDB Entry DOI: 10.7270/Q2833W3C
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50249779 (3-[(4S,5S)-4-(4-Fluorophenyl)-4-(6-fluoro-3-pyridy...) Show SMILES C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cccc(c1)C#N |r,c:3| Show InChI InChI=1S/C22H16F2N4/c1-14-22(17-5-8-19(23)9-6-17,18-7-10-20(24)26-13-18)28-21(27-14)16-4-2-3-15(11-16)12-25/h2-11,13-14H,1H3,(H,27,28)/t14-,22-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	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]PYY from human recombinant neuropeptide Y5 receptor expressed in mouse LMtk- cells				J Med Chem 52: 3385-96 (2009) Article DOI: 10.1021/jm900110t BindingDB Entry DOI: 10.7270/Q2DN450G
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM194756 (US9206167, 69) Show SMILES CC1CN(CCN1CCCCOc1ccc2ccc(=O)[nH]c2c1)c1cccc2sccc12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.800	-51.9	n/a	n/a	n/a	n/a	n/a	7.4	25
OTSUKA PHARMACEUTICAL CO., LTD. US Patent					Assay Description The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...				US Patent US9206167 (2015) BindingDB Entry DOI: 10.7270/Q2XD10GS
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM194785 (US9206167, 6 | USRE48059, Compound of Example 6) Show SMILES Cc1cc2ccc(OCCCCN3CCN(CC3)c3cccc4sccc34)cc2[nH]c1=O Show InChI InChI=1S/C26H29N3O2S/c1-19-17-20-7-8-21(18-23(20)27-26(19)30)31-15-3-2-10-28-11-13-29(14-12-28)24-5-4-6-25-22(24)9-16-32-25/h4-9,16-18H,2-3,10-15H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Otsuka Pharmaceutical Co., Ltd. US Patent					Assay Description Dopamine D2: The binding assay was performed using 40 μl of the membrane specimen, 20 μl of [3H]-raclopride (final concentration 1 to 2 nM)...				US Patent USRE48059 (2020) BindingDB Entry DOI: 10.7270/Q2833W3C
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM194779 (US9206167, 190) Show SMILES Oc1ccc(OCCCN2CCN(CC2)c2cccc3sccc23)c2NC(=O)CCc12 Show InChI InChI=1S/C24H27N3O3S/c28-20-6-7-21(24-18(20)5-8-23(29)25-24)30-15-2-10-26-11-13-27(14-12-26)19-3-1-4-22-17(19)9-16-31-22/h1,3-4,6-7,9,16,28H,2,5,8,10-15H2,(H,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.800	-51.9	n/a	n/a	n/a	n/a	n/a	7.4	25
OTSUKA PHARMACEUTICAL CO., LTD. US Patent					Assay Description The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...				US Patent US9206167 (2015) BindingDB Entry DOI: 10.7270/Q2XD10GS
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM194785 (US9206167, 6 | USRE48059, Compound of Example 6) Show SMILES Cc1cc2ccc(OCCCCN3CCN(CC3)c3cccc4sccc34)cc2[nH]c1=O Show InChI InChI=1S/C26H29N3O2S/c1-19-17-20-7-8-21(18-23(20)27-26(19)30)31-15-3-2-10-28-11-13-29(14-12-28)24-5-4-6-25-22(24)9-16-32-25/h4-9,16-18H,2-3,10-15H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.800	-51.9	n/a	n/a	n/a	n/a	n/a	7.4	25
OTSUKA PHARMACEUTICAL CO., LTD. US Patent					Assay Description The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...				US Patent US9206167 (2015) BindingDB Entry DOI: 10.7270/Q2XD10GS
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM194760 (US9206167, 81) Show SMILES CC(=O)N1CCc2ccc(OCCCN3CCN(CC3)c3cccc4sccc34)cc2C1 Show InChI InChI=1S/C26H31N3O2S/c1-20(30)29-11-8-21-6-7-23(18-22(21)19-29)31-16-3-10-27-12-14-28(15-13-27)25-4-2-5-26-24(25)9-17-32-26/h2,4-7,9,17-18H,3,8,10-16,19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.800	-51.9	n/a	n/a	n/a	n/a	n/a	7.4	25
OTSUKA PHARMACEUTICAL CO., LTD. US Patent					Assay Description The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...				US Patent US9206167 (2015) BindingDB Entry DOI: 10.7270/Q2XD10GS
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM448323 (USRE48059, Compound of Example 69) Show SMILES CC1CN(CCN1CCCCOc1ccc2[nH]c(=O)ccc2c1)c1cccc2sccc12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Otsuka Pharmaceutical Co., Ltd. US Patent					Assay Description Dopamine D2: The binding assay was performed using 40 μl of the membrane specimen, 20 μl of [3H]-raclopride (final concentration 1 to 2 nM)...				US Patent USRE48059 (2020) BindingDB Entry DOI: 10.7270/Q2833W3C
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM448346 (USRE48059, Compound of Example 190) Show SMILES Oc1ccc(CCCCN2CCN(CC2)c2cccc3sccc23)c2NC(=O)CCc12 Show InChI InChI=1S/C25H29N3O2S/c29-22-9-7-18(25-20(22)8-10-24(30)26-25)4-1-2-12-27-13-15-28(16-14-27)21-5-3-6-23-19(21)11-17-31-23/h3,5-7,9,11,17,29H,1-2,4,8,10,12-16H2,(H,26,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Otsuka Pharmaceutical Co., Ltd. US Patent					Assay Description Dopamine D2: The binding assay was performed using 40 μl of the membrane specimen, 20 μl of [3H]-raclopride (final concentration 1 to 2 nM)...				US Patent USRE48059 (2020) BindingDB Entry DOI: 10.7270/Q2833W3C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM194800 (US9206167, 21 | USRE48059, Compound of Example 21) Show SMILES O=C1CCc2ccccc2N1CCCCN1CCN(CC1)c1cccc2sccc12 Show InChI InChI=1S/C25H29N3OS/c29-25-11-10-20-6-1-2-7-22(20)28(25)14-4-3-13-26-15-17-27(18-16-26)23-8-5-9-24-21(23)12-19-30-24/h1-2,5-9,12,19H,3-4,10-11,13-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Otsuka Pharmaceutical Co., Ltd. US Patent					Assay Description 5-HT2A: The binding assay was performed using 40 μl of the membrane specimen, 20 μl of [3H]-Ketanserin (final concentration 1 to 3 nM), 20 ...				US Patent USRE48059 (2020) BindingDB Entry DOI: 10.7270/Q2833W3C
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50249806 (4-[(4S,5S)-4-(4-Fluorophenyl)-4-(6-fluoro-3-pyridy...) Show SMILES C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1ccnc(c1)C#N |r,c:3| Show InChI InChI=1S/C21H15F2N5/c1-13-21(15-2-5-17(22)6-3-15,16-4-7-19(23)26-12-16)28-20(27-13)14-8-9-25-18(10-14)11-24/h2-10,12-13H,1H3,(H,27,28)/t13-,21-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	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]PYY from human recombinant neuropeptide Y5 receptor expressed in mouse LMtk- cells				J Med Chem 52: 3385-96 (2009) Article DOI: 10.1021/jm900110t BindingDB Entry DOI: 10.7270/Q2DN450G
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM448322 (USRE48059, Compound of Example 68) Show SMILES CC1CN(CCN1CCCCOc1ccc2nc(=O)ccc2c1)c1cccc2sccc12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Otsuka Pharmaceutical Co., Ltd. US Patent					Assay Description Dopamine D2: The binding assay was performed using 40 μl of the membrane specimen, 20 μl of [3H]-raclopride (final concentration 1 to 2 nM)...				US Patent USRE48059 (2020) BindingDB Entry DOI: 10.7270/Q2833W3C
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50239342 (CHEMBL4075127) Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@@H](O)c2ccccc12 |r| Show InChI InChI=1S/C25H24N2O3/c1-17-7-2-3-8-20(17)24(29)26-19-14-12-18(13-15-19)25(30)27-16-6-11-23(28)21-9-4-5-10-22(21)27/h2-5,7-10,12-15,23,28H,6,11,16H2,1H3,(H,26,29)/t23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Teikyo University Curated by ChEMBL					Assay Description Displacement of [125I] phenylacetyl-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Arg-Tyr-NH2 from human recombinant vasopressin V1a receptor expressed in HEK293 aft...				J Med Chem 60: 4503-4509 (2017) Article DOI: 10.1021/acs.jmedchem.7b00422 BindingDB Entry DOI: 10.7270/Q27946TN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM194800 (US9206167, 21 | USRE48059, Compound of Example 21) Show SMILES O=C1CCc2ccccc2N1CCCCN1CCN(CC1)c1cccc2sccc12 Show InChI InChI=1S/C25H29N3OS/c29-25-11-10-20-6-1-2-7-22(20)28(25)14-4-3-13-26-15-17-27(18-16-26)23-8-5-9-24-21(23)12-19-30-24/h1-2,5-9,12,19H,3-4,10-11,13-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1	-53.4	n/a	n/a	n/a	n/a	n/a	7.4	37
OTSUKA PHARMACEUTICAL CO., LTD. US Patent					Assay Description The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (...				US Patent US9206167 (2015) BindingDB Entry DOI: 10.7270/Q2XD10GS
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM194814 (US9206167, 36 | USRE48059, Compound of Example 36) Show SMILES Cn1ccc2ccc(OCCCN3CCN(CC3)c3cccc4sccc34)cc2c1=O Show InChI InChI=1S/C25H27N3O2S/c1-26-11-8-19-6-7-20(18-22(19)25(26)29)30-16-3-10-27-12-14-28(15-13-27)23-4-2-5-24-21(23)9-17-31-24/h2,4-9,11,17-18H,3,10,12-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1	-51.4	n/a	n/a	n/a	n/a	n/a	7.4	25
OTSUKA PHARMACEUTICAL CO., LTD. US Patent					Assay Description The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...				US Patent US9206167 (2015) BindingDB Entry DOI: 10.7270/Q2XD10GS
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM194755 (US9206167, 68) Show SMILES CC1CN(CCN1CCCCOc1ccc2CCC(=O)Nc2c1)c1cccc2sccc12 Show InChI InChI=1S/C26H31N3O2S/c1-19-18-29(24-5-4-6-25-22(24)11-16-32-25)14-13-28(19)12-2-3-15-31-21-9-7-20-8-10-26(30)27-23(20)17-21/h4-7,9,11,16-17,19H,2-3,8,10,12-15,18H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1	-51.4	n/a	n/a	n/a	n/a	n/a	7.4	25
OTSUKA PHARMACEUTICAL CO., LTD. US Patent					Assay Description The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...				US Patent US9206167 (2015) BindingDB Entry DOI: 10.7270/Q2XD10GS
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50249739 (2-[(5S)-4,4-Bis(4-fluorophenyl)-5-methyl-4,5-dihyd...) Show SMILES C[C@@H]1NC(=NC1(c1ccc(F)cc1)c1ccc(F)cc1)c1cc(ccn1)C#N |r,c:3| Show InChI InChI=1S/C22H16F2N4/c1-14-22(16-2-6-18(23)7-3-16,17-4-8-19(24)9-5-17)28-21(27-14)20-12-15(13-25)10-11-26-20/h2-12,14H,1H3,(H,27,28)/t14-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	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]PYY from human recombinant neuropeptide Y5 receptor expressed in mouse LMtk- cells				J Med Chem 52: 3385-96 (2009) Article DOI: 10.1021/jm900110t BindingDB Entry DOI: 10.7270/Q2DN450G
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM194814 (US9206167, 36 | USRE48059, Compound of Example 36) Show SMILES Cn1ccc2ccc(OCCCN3CCN(CC3)c3cccc4sccc34)cc2c1=O Show InChI InChI=1S/C25H27N3O2S/c1-26-11-8-19-6-7-20(18-22(19)25(26)29)30-16-3-10-27-12-14-28(15-13-27)23-4-2-5-24-21(23)9-17-31-24/h2,4-9,11,17-18H,3,10,12-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Otsuka Pharmaceutical Co., Ltd. US Patent					Assay Description Dopamine D2: The binding assay was performed using 40 μl of the membrane specimen, 20 μl of [3H]-raclopride (final concentration 1 to 2 nM)...				US Patent USRE48059 (2020) BindingDB Entry DOI: 10.7270/Q2833W3C
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM194811 (US9206167, 33 | USRE48059, Compound of Example 33) Show SMILES O=C1NCCc2ccc(OCCCCN3CCN(CC3)c3cccc4sccc34)cc12 Show InChI InChI=1S/C25H29N3O2S/c29-25-22-18-20(7-6-19(22)8-10-26-25)30-16-2-1-11-27-12-14-28(15-13-27)23-4-3-5-24-21(23)9-17-31-24/h3-7,9,17-18H,1-2,8,10-16H2,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Otsuka Pharmaceutical Co., Ltd. US Patent					Assay Description Dopamine D2: The binding assay was performed using 40 μl of the membrane specimen, 20 μl of [3H]-raclopride (final concentration 1 to 2 nM)...				US Patent USRE48059 (2020) BindingDB Entry DOI: 10.7270/Q2833W3C
					More data for this Ligand-Target Pair

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