Compile Data Set for Download or QSAR

Found 1340 hits with Last Name = 'tsukamoto' 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
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50057433 (CHEMBL278806 | [2-(5-Fluoro-chroman-8-yloxy)-ethyl...) Show SMILES COc1ccc(CCCCNCCOc2ccc(F)c3CCCOc23)cc1 Show InChI InChI=1S/C22H28FNO3/c1-25-18-9-7-17(8-10-18)5-2-3-13-24-14-16-26-21-12-11-20(23)19-6-4-15-27-22(19)21/h7-12,24H,2-6,13-16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from rat hippocampal 5-hydroxytryptamine 1A receptor				J Med Chem 40: 1252-7 (1997) Article DOI: 10.1021/jm960760d BindingDB Entry DOI: 10.7270/Q20R9Q26
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (RAT)	BDBM50108501 (2-Methyl-furan-3-carboxylic acid (4-{5-[2-(4-dimet...) Show SMILES CN(C)C1CCN(CC1)C(=O)\C=C1/c2ccccc2N(CCC1(F)F)C(=O)c1ccc(NC(=O)c2ccoc2C)cc1 Show InChI InChI=1S/C32H34F2N4O4/c1-21-25(14-19-42-21)30(40)35-23-10-8-22(9-11-23)31(41)38-18-15-32(33,34)27(26-6-4-5-7-28(26)38)20-29(39)37-16-12-24(13-17-37)36(2)3/h4-11,14,19-20,24H,12-13,15-18H2,1-3H3,(H,35,40)/b27-20+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.102	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Evaluated for the binding affinity towards vasopressin (V1A) receptor in rat liver membrane using [3H]AVP as radioligand				Bioorg Med Chem Lett 12: 229-32 (2001) BindingDB Entry DOI: 10.7270/Q2R78FQP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50057432 (CHEMBL25215 | [2-(Chroman-8-yloxy)-ethyl]-[4-(4-me...) Show SMILES COc1ccc(CCCCNCCOc2cccc3CCCOc23)cc1 Show InChI InChI=1S/C22H29NO3/c1-24-20-12-10-18(11-13-20)6-2-3-14-23-15-17-25-21-9-4-7-19-8-5-16-26-22(19)21/h4,7,9-13,23H,2-3,5-6,8,14-17H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from rat hippocampal 5-hydroxytryptamine 1A receptor				J Med Chem 40: 1252-7 (1997) Article DOI: 10.1021/jm960760d BindingDB Entry DOI: 10.7270/Q20R9Q26
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50065562 (CHEMBL96279 | [2-(6-Fluoro-2,2-dimethyl-chroman-8-...) Show SMILES COc1ccc(CCCCNCCOc2cc(F)cc3CCC(C)(C)Oc23)cc1 Show InChI InChI=1S/C24H32FNO3/c1-24(2)12-11-19-16-20(25)17-22(23(19)29-24)28-15-14-26-13-5-4-6-18-7-9-21(27-3)10-8-18/h7-10,16-17,26H,4-6,11-15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.149	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Binding affinity against dopamine receptor D2 on rat striatum using [3H]-spiperone as radioligand.				J Med Chem 41: 2765-78 (1998) Article DOI: 10.1021/jm9707840 BindingDB Entry DOI: 10.7270/Q2K073CQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50065578 (CHEMBL419147 | [2-(6-Fluoro-2H-chromen-8-yloxy)-et...) Show SMILES COc1ccc(CCCCNCCOc2cc(F)cc3C=CCOc23)cc1 |c:20| Show InChI InChI=1S/C22H26FNO3/c1-25-20-9-7-17(8-10-20)5-2-3-11-24-12-14-26-21-16-19(23)15-18-6-4-13-27-22(18)21/h4,6-10,15-16,24H,2-3,5,11-14H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.159	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 1A receptor on rat hippocampus using [3H]-8-OH-DPAT as radioligand.				J Med Chem 41: 2765-78 (1998) Article DOI: 10.1021/jm9707840 BindingDB Entry DOI: 10.7270/Q2K073CQ
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (RAT)	BDBM50108498 (Biphenyl-2-carboxylic acid (4-{5-[2-(4-dimethylami...) Show SMILES CN(C)C1CCN(CC1)C(=O)\C=C1\c2ccccc2N(CCC1(F)F)C(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1 Show InChI InChI=1S/C39H38F2N4O3/c1-43(2)30-20-23-44(24-21-30)36(46)26-34-33-14-8-9-15-35(33)45(25-22-39(34,40)41)38(48)28-16-18-29(19-17-28)42-37(47)32-13-7-6-12-31(32)27-10-4-3-5-11-27/h3-19,26,30H,20-25H2,1-2H3,(H,42,47)/b34-26-	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Binding affinity at Vasopressin V1a receptor, performed using [3H]-AVP on rat liver				J Med Chem 45: 2589-98 (2002) BindingDB Entry DOI: 10.7270/Q2NC60H9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50454212 (CHEBI:64217 | Emonapride | Nemonapride) Show SMILES CNc1cc(OC)c(cc1Cl)C(=O)NC1CCN(Cc2ccccc2)C1C Show InChI InChI=1S/C21H26ClN3O2/c1-14-18(9-10-25(14)13-15-7-5-4-6-8-15)24-21(26)16-11-17(22)19(23-2)12-20(16)27-3/h4-8,11-12,14,18,23H,9-10,13H2,1-3H3,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Binding affinity to rat Dopamine receptor D2 expressesd in CHO cells was determined using [125 I ] iodosulpride as radioligand				J Med Chem 39: 2764-72 (1996) Article DOI: 10.1021/jm9601720 BindingDB Entry DOI: 10.7270/Q2SB44VK
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50454212 (CHEBI:64217 | Emonapride | Nemonapride) Show SMILES CNc1cc(OC)c(cc1Cl)C(=O)NC1CCN(Cc2ccccc2)C1C Show InChI InChI=1S/C21H26ClN3O2/c1-14-18(9-10-25(14)13-15-7-5-4-6-8-15)24-21(26)16-11-17(22)19(23-2)12-20(16)27-3/h4-8,11-12,14,18,23H,9-10,13H2,1-3H3,(H,24,26)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Binding affinity of the compound to rat Dopamine receptor D3 expressed in CHO cells was determined using [125 I] iodosulpride as radioligand				J Med Chem 39: 2764-72 (1996) Article DOI: 10.1021/jm9601720 BindingDB Entry DOI: 10.7270/Q2SB44VK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50065555 (CHEMBL96578 | [2-(6-Fluoro-2-methyl-chroman-8-ylox...) Show SMILES COc1ccc(CCNCCOc2cc(F)cc3CCC(C)Oc23)cc1 Show InChI InChI=1S/C21H26FNO3/c1-15-3-6-17-13-18(22)14-20(21(17)26-15)25-12-11-23-10-9-16-4-7-19(24-2)8-5-16/h4-5,7-8,13-15,23H,3,6,9-12H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.188	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 1A receptor on rat hippocampus using [3H]-8-OH-DPAT as radioligand.				J Med Chem 41: 2765-78 (1998) Article DOI: 10.1021/jm9707840 BindingDB Entry DOI: 10.7270/Q2K073CQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50375457 (CHEMBL261476) Show SMILES C[C@H](N)Cn1ncc2ccc3occc3c12 Show InChI InChI=1S/C12H13N3O/c1-8(13)7-15-12-9(6-14-15)2-3-11-10(12)4-5-16-11/h2-6,8H,7,13H2,1H3/t8-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from human 5HT2C receptor expressed in CHO cells				Bioorg Med Chem 16: 1966-82 (2008) Article DOI: 10.1016/j.bmc.2007.10.100 BindingDB Entry DOI: 10.7270/Q2TH8NKR
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50375451 (CHEMBL408579) Show SMILES C[C@H](N)Cn1ncc2ccc3oc(C)cc3c12 Show InChI InChI=1S/C13H15N3O/c1-8(14)7-16-13-10(6-15-16)3-4-12-11(13)5-9(2)17-12/h3-6,8H,7,14H2,1-2H3/t8-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from human 5HT2C receptor expressed in CHO cells				Bioorg Med Chem 16: 1966-82 (2008) Article DOI: 10.1016/j.bmc.2007.10.100 BindingDB Entry DOI: 10.7270/Q2TH8NKR
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50057436 (CHEMBL25213 | [2-(6-Fluoro-chroman-8-yloxy)-ethyl]...) Show SMILES COc1ccc(CCCCNCCOc2cc(F)cc3CCCOc23)cc1 Show InChI InChI=1S/C22H28FNO3/c1-25-20-9-7-17(8-10-20)5-2-3-11-24-12-14-26-21-16-19(23)15-18-6-4-13-27-22(18)21/h7-10,15-16,24H,2-6,11-14H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from rat hippocampal 5-hydroxytryptamine 1A receptor				J Med Chem 40: 1252-7 (1997) Article DOI: 10.1021/jm960760d BindingDB Entry DOI: 10.7270/Q20R9Q26
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50057436 (CHEMBL25213 | [2-(6-Fluoro-chroman-8-yloxy)-ethyl]...) Show SMILES COc1ccc(CCCCNCCOc2cc(F)cc3CCCOc23)cc1 Show InChI InChI=1S/C22H28FNO3/c1-25-20-9-7-17(8-10-20)5-2-3-11-24-12-14-26-21-16-19(23)15-18-6-4-13-27-22(18)21/h7-10,15-16,24H,2-6,11-14H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.221	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 1A receptor on rat hippocampus using [3H]-8-OH-DPAT as radioligand.				J Med Chem 41: 2765-78 (1998) Article DOI: 10.1021/jm9707840 BindingDB Entry DOI: 10.7270/Q2K073CQ
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50052196 (CHEMBL319597 | N-((S)-1-Bicyclo[3.3.1]non-9-yl-pyr...) Show SMILES CNc1cc(OC)c(cc1Cl)C(=O)N[C@H]1CCN(C1)C1C2CCCC1CCC2 |THB:17:19:26.27.25:22.21.23| Show InChI InChI=1S/C22H32ClN3O2/c1-24-19-12-20(28-2)17(11-18(19)23)22(27)25-16-9-10-26(13-16)21-14-5-3-6-15(21)8-4-7-14/h11-12,14-16,21,24H,3-10,13H2,1-2H3,(H,25,27)/t14?,15?,16-,21?/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Binding affinity of the compound to rat Dopamine receptor D3 expressed in CHO cells was determined using [125 I] iodosulpride as radioligand				J Med Chem 39: 2764-72 (1996) Article DOI: 10.1021/jm9601720 BindingDB Entry DOI: 10.7270/Q2SB44VK
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50057436 (CHEMBL25213 | [2-(6-Fluoro-chroman-8-yloxy)-ethyl]...) Show SMILES COc1ccc(CCCCNCCOc2cc(F)cc3CCCOc23)cc1 Show InChI InChI=1S/C22H28FNO3/c1-25-20-9-7-17(8-10-20)5-2-3-11-24-12-14-26-21-16-19(23)15-18-6-4-13-27-22(18)21/h7-10,15-16,24H,2-6,11-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.259	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Binding affinity against dopamine receptor D2 on rat striatum using [3H]-spiperone as radioligand.				J Med Chem 41: 2765-78 (1998) Article DOI: 10.1021/jm9707840 BindingDB Entry DOI: 10.7270/Q2K073CQ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50057436 (CHEMBL25213 | [2-(6-Fluoro-chroman-8-yloxy)-ethyl]...) Show SMILES COc1ccc(CCCCNCCOc2cc(F)cc3CCCOc23)cc1 Show InChI InChI=1S/C22H28FNO3/c1-25-20-9-7-17(8-10-20)5-2-3-11-24-12-14-26-21-16-19(23)15-18-6-4-13-27-22(18)21/h7-10,15-16,24H,2-6,11-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro radioligand binding assay on Dopamine receptor D2 of rat striatum using [3H]- spiperone				J Med Chem 40: 1252-7 (1997) Article DOI: 10.1021/jm960760d BindingDB Entry DOI: 10.7270/Q20R9Q26
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50057434 (8-{2-[4-(4-Methoxy-phenyl)-butylamino]-ethoxy}-chr...) Show SMILES COc1ccc(CCCCNCCOc2cc(O)cc3CCCOc23)cc1 Show InChI InChI=1S/C22H29NO4/c1-25-20-9-7-17(8-10-20)5-2-3-11-23-12-14-26-21-16-19(24)15-18-6-4-13-27-22(18)21/h7-10,15-16,23-24H,2-6,11-14H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from rat hippocampal 5-hydroxytryptamine 1A receptor				J Med Chem 40: 1252-7 (1997) Article DOI: 10.1021/jm960760d BindingDB Entry DOI: 10.7270/Q20R9Q26
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50065573 (CHEMBL96222 | [2-(6-Fluoro-2-methyl-chroman-8-ylox...) Show SMILES COc1ccc(CCCCNCCOc2cc(F)cc3CCC(C)Oc23)cc1 Show InChI InChI=1S/C23H30FNO3/c1-17-6-9-19-15-20(24)16-22(23(19)28-17)27-14-13-25-12-4-3-5-18-7-10-21(26-2)11-8-18/h7-8,10-11,15-17,25H,3-6,9,12-14H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 1A receptor on rat hippocampus using [3H]-8-OH-DPAT as radioligand.				J Med Chem 41: 2765-78 (1998) Article DOI: 10.1021/jm9707840 BindingDB Entry DOI: 10.7270/Q2K073CQ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50065578 (CHEMBL419147 | [2-(6-Fluoro-2H-chromen-8-yloxy)-et...) Show SMILES COc1ccc(CCCCNCCOc2cc(F)cc3C=CCOc23)cc1 |c:20| Show InChI InChI=1S/C22H26FNO3/c1-25-20-9-7-17(8-10-20)5-2-3-11-24-12-14-26-21-16-19(23)15-18-6-4-13-27-22(18)21/h4,6-10,15-16,24H,2-3,5,11-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.288	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Binding affinity against dopamine receptor D2 on rat striatum using [3H]-spiperone as radioligand.				J Med Chem 41: 2765-78 (1998) Article DOI: 10.1021/jm9707840 BindingDB Entry DOI: 10.7270/Q2K073CQ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50065573 (CHEMBL96222 | [2-(6-Fluoro-2-methyl-chroman-8-ylox...) Show SMILES COc1ccc(CCCCNCCOc2cc(F)cc3CCC(C)Oc23)cc1 Show InChI InChI=1S/C23H30FNO3/c1-17-6-9-19-15-20(24)16-22(23(19)28-17)27-14-13-25-12-4-3-5-18-7-10-21(26-2)11-8-18/h7-8,10-11,15-17,25H,3-6,9,12-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.312	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Binding affinity against dopamine receptor D2 on rat striatum using [3H]-spiperone as radioligand.				J Med Chem 41: 2765-78 (1998) Article DOI: 10.1021/jm9707840 BindingDB Entry DOI: 10.7270/Q2K073CQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50057429 (CHEMBL22328 | [2-(7-Fluoro-chroman-8-yloxy)-ethyl]...) Show SMILES COc1ccc(CCCCNCCOc2c(F)ccc3CCCOc23)cc1 Show InChI InChI=1S/C22H28FNO3/c1-25-19-10-7-17(8-11-19)5-2-3-13-24-14-16-27-22-20(23)12-9-18-6-4-15-26-21(18)22/h7-12,24H,2-6,13-16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from rat hippocampal 5-hydroxytryptamine 1A receptor				J Med Chem 40: 1252-7 (1997) Article DOI: 10.1021/jm960760d BindingDB Entry DOI: 10.7270/Q20R9Q26
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Rattus norvegicus (Rat))	BDBM35709 (YM-35278) Show SMILES FC1(F)CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2\C1=C\C(=O)NCc1ccccn1 Show InChI InChI=1S/C38H30F2N4O3/c39-38(40)21-23-44(34-16-7-6-15-32(34)33(38)24-35(45)42-25-29-12-8-9-22-41-29)37(47)27-17-19-28(20-18-27)43-36(46)31-14-5-4-13-30(31)26-10-2-1-3-11-26/h1-20,22,24H,21,23,25H2,(H,42,45)(H,43,46)/b33-24-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.400	-53.3	n/a	n/a	n/a	n/a	n/a	7.4	23
Astellas Pharma Inc.					Assay Description The affinities of test compounds for human V2 receptor were evaluated by the radioligand binding study using membrane fractions isolated from CHO cel...				Bioorg Med Chem 16: 9524-35 (2008) Article DOI: 10.1016/j.bmc.2008.09.039 BindingDB Entry DOI: 10.7270/Q2125R12
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50065562 (CHEMBL96279 | [2-(6-Fluoro-2,2-dimethyl-chroman-8-...) Show SMILES COc1ccc(CCCCNCCOc2cc(F)cc3CCC(C)(C)Oc23)cc1 Show InChI InChI=1S/C24H32FNO3/c1-24(2)12-11-19-16-20(25)17-22(23(19)29-24)28-15-14-26-13-5-4-6-18-7-9-21(27-3)10-8-18/h7-10,16-17,26H,4-6,11-15H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.435	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 1A receptor on rat hippocampus using [3H]-8-OH-DPAT as radioligand.				J Med Chem 41: 2765-78 (1998) Article DOI: 10.1021/jm9707840 BindingDB Entry DOI: 10.7270/Q2K073CQ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50057428 (CHEMBL22682 | [2-(6-Chloro-chroman-8-yloxy)-ethyl]...) Show SMILES COc1ccc(CCCCNCCOc2cc(Cl)cc3CCCOc23)cc1 Show InChI InChI=1S/C22H28ClNO3/c1-25-20-9-7-17(8-10-20)5-2-3-11-24-12-14-26-21-16-19(23)15-18-6-4-13-27-22(18)21/h7-10,15-16,24H,2-6,11-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro radioligand binding assay on Dopamine receptor D2 of rat striatum using [3H]- spiperone				J Med Chem 40: 1252-7 (1997) Article DOI: 10.1021/jm960760d BindingDB Entry DOI: 10.7270/Q20R9Q26
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50375452 (CHEMBL262092) Show SMILES COc1nn(C[C@H](C)N)c2c1ccc1occc21 Show InChI InChI=1S/C13H15N3O2/c1-8(14)7-16-12-9-5-6-18-11(9)4-3-10(12)13(15-16)17-2/h3-6,8H,7,14H2,1-2H3/t8-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from human 5HT2C receptor expressed in CHO cells				Bioorg Med Chem 16: 1966-82 (2008) Article DOI: 10.1016/j.bmc.2007.10.100 BindingDB Entry DOI: 10.7270/Q2TH8NKR
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50114031 ((2S)-1-[(2R,3S)-5-chloro-3-(2-chlorophenyl)-1-(3,4...) Show SMILES COc1ccc(cc1OC)S(=O)(=O)N1[C@@H](C(=O)N2CCC[C@H]2C(N)=O)[C@](O)(c2cc(Cl)ccc12)c1ccccc1Cl |r| Show InChI InChI=1S/C28H27Cl2N3O7S/c1-39-23-12-10-17(15-24(23)40-2)41(37,38)33-21-11-9-16(29)14-19(21)28(36,18-6-3-4-7-20(18)30)25(33)27(35)32-13-5-8-22(32)26(31)34/h3-4,6-7,9-12,14-15,22,25,36H,5,8,13H2,1-2H3,(H2,31,34)/t22-,25-,28+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	PubMed	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Binding affinity at cloned human Vasopressin V1a receptor stably expressed in CHO cells, using [3H]-AVP as radioligand				J Med Chem 45: 2589-98 (2002) BindingDB Entry DOI: 10.7270/Q2NC60H9
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50052194 (4-Amino-N-((R)-1-benzyl-pyrrolidin-3-yl)-5-chloro-...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 Show InChI InChI=1S/C19H22ClN3O2/c1-25-18-10-17(21)16(20)9-15(18)19(24)22-14-7-8-23(12-14)11-13-5-3-2-4-6-13/h2-6,9-10,14H,7-8,11-12,21H2,1H3,(H,22,24)/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Binding affinity to Human Dopamine receptor D4 expressed in CHO cells was determined using [3H]- nemonapride as radioligand				J Med Chem 39: 2764-72 (1996) Article DOI: 10.1021/jm9601720 BindingDB Entry DOI: 10.7270/Q2SB44VK
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50052191 (4-Amino-N-((S)-1-benzyl-pyrrolidin-3-yl)-5-chloro-...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 Show InChI InChI=1S/C19H22ClN3O2/c1-25-18-10-17(21)16(20)9-15(18)19(24)22-14-7-8-23(12-14)11-13-5-3-2-4-6-13/h2-6,9-10,14H,7-8,11-12,21H2,1H3,(H,22,24)/t14-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Binding affinity of the compound to rat Dopamine receptor D3 expressed in CHO cells was determined using [125 I] iodosulpride as radioligand				J Med Chem 39: 2764-72 (1996) Article DOI: 10.1021/jm9601720 BindingDB Entry DOI: 10.7270/Q2SB44VK
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50057432 (CHEMBL25215 | [2-(Chroman-8-yloxy)-ethyl]-[4-(4-me...) Show SMILES COc1ccc(CCCCNCCOc2cccc3CCCOc23)cc1 Show InChI InChI=1S/C22H29NO3/c1-24-20-12-10-18(11-13-20)6-2-3-14-23-15-17-25-21-9-4-7-19-8-5-16-26-22(19)21/h4,7,9-13,23H,2-3,5-6,8,14-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro radioligand binding assay on Dopamine receptor D2 of rat striatum using [3H]- spiperone				J Med Chem 40: 1252-7 (1997) Article DOI: 10.1021/jm960760d BindingDB Entry DOI: 10.7270/Q20R9Q26
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Binding affinity of the compound was evaluated against Dopamine receptor D2 on rat striatum using [3H]-spiperone as radioligand; ND = Not determined				J Med Chem 41: 2765-78 (1998) Article DOI: 10.1021/jm9707840 BindingDB Entry DOI: 10.7270/Q2K073CQ
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (RAT)	BDBM50108498 (Biphenyl-2-carboxylic acid (4-{5-[2-(4-dimethylami...) Show SMILES CN(C)C1CCN(CC1)C(=O)\C=C1\c2ccccc2N(CCC1(F)F)C(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1 Show InChI InChI=1S/C39H38F2N4O3/c1-43(2)30-20-23-44(24-21-30)36(46)26-34-33-14-8-9-15-35(33)45(25-22-39(34,40)41)38(48)28-16-18-29(19-17-28)42-37(47)32-13-7-6-12-31(32)27-10-4-3-5-11-27/h3-19,26,30H,20-25H2,1-2H3,(H,42,47)/b34-26-	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Evaluated for the binding affinity towards vasopressin (V1A) receptor in rat liver membrane using [3H]AVP as radioligand				Bioorg Med Chem Lett 12: 229-32 (2001) BindingDB Entry DOI: 10.7270/Q2R78FQP
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50108498 (Biphenyl-2-carboxylic acid (4-{5-[2-(4-dimethylami...) Show SMILES CN(C)C1CCN(CC1)C(=O)\C=C1\c2ccccc2N(CCC1(F)F)C(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1 Show InChI InChI=1S/C39H38F2N4O3/c1-43(2)30-20-23-44(24-21-30)36(46)26-34-33-14-8-9-15-35(33)45(25-22-39(34,40)41)38(48)28-16-18-29(19-17-28)42-37(47)32-13-7-6-12-31(32)27-10-4-3-5-11-27/h3-19,26,30H,20-25H2,1-2H3,(H,42,47)/b34-26-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Binding affinity at cloned human Vasopressin V1a receptor stably expressed in CHO cells, using [3H]-AVP as radioligand				J Med Chem 45: 2589-98 (2002) BindingDB Entry DOI: 10.7270/Q2NC60H9
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50052196 (CHEMBL319597 | N-((S)-1-Bicyclo[3.3.1]non-9-yl-pyr...) Show SMILES CNc1cc(OC)c(cc1Cl)C(=O)N[C@H]1CCN(C1)C1C2CCCC1CCC2 |THB:17:19:26.27.25:22.21.23| Show InChI InChI=1S/C22H32ClN3O2/c1-24-19-12-20(28-2)17(11-18(19)23)22(27)25-16-9-10-26(13-16)21-14-5-3-6-15(21)8-4-7-14/h11-12,14-16,21,24H,3-10,13H2,1-2H3,(H,25,27)/t14?,15?,16-,21?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Binding affinity to Human Dopamine receptor D4 expressed in CHO cells was determined using [3H]- nemonapride as radioligand				J Med Chem 39: 2764-72 (1996) Article DOI: 10.1021/jm9601720 BindingDB Entry DOI: 10.7270/Q2SB44VK
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50065563 (6-Fluoro-8-{2-[4-(4-methoxy-phenyl)-butylamino]-et...) Show SMILES COc1ccc(CCCCNCCOc2cc(F)cc3C(O)CCOc23)cc1 Show InChI InChI=1S/C22H28FNO4/c1-26-18-7-5-16(6-8-18)4-2-3-10-24-11-13-27-21-15-17(23)14-19-20(25)9-12-28-22(19)21/h5-8,14-15,20,24-25H,2-4,9-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.724	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Binding affinity against dopamine receptor D2 on rat striatum using [3H]-spiperone as radioligand.				J Med Chem 41: 2765-78 (1998) Article DOI: 10.1021/jm9707840 BindingDB Entry DOI: 10.7270/Q2K073CQ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50065563 (6-Fluoro-8-{2-[4-(4-methoxy-phenyl)-butylamino]-et...) Show SMILES COc1ccc(CCCCNCCOc2cc(F)cc3C(O)CCOc23)cc1 Show InChI InChI=1S/C22H28FNO4/c1-26-18-7-5-16(6-8-18)4-2-3-10-24-11-13-27-21-15-17(23)14-19-20(25)9-12-28-22(19)21/h5-8,14-15,20,24-25H,2-4,9-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.724	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Binding affinity against dopamine receptor D2 on rat striatum using [3H]-spiperone as radioligand.				J Med Chem 41: 2765-78 (1998) Article DOI: 10.1021/jm9707840 BindingDB Entry DOI: 10.7270/Q2K073CQ
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Rattus norvegicus (Rat))	BDBM50108498 (Biphenyl-2-carboxylic acid (4-{5-[2-(4-dimethylami...) Show SMILES CN(C)C1CCN(CC1)C(=O)\C=C1\c2ccccc2N(CCC1(F)F)C(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1 Show InChI InChI=1S/C39H38F2N4O3/c1-43(2)30-20-23-44(24-21-30)36(46)26-34-33-14-8-9-15-35(33)45(25-22-39(34,40)41)38(48)28-16-18-29(19-17-28)42-37(47)32-13-7-6-12-31(32)27-10-4-3-5-11-27/h3-19,26,30H,20-25H2,1-2H3,(H,42,47)/b34-26-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Binding affinity at Vasopressin V2 receptor, performed using [3H]-AVP on rat kidney				J Med Chem 45: 2589-98 (2002) BindingDB Entry DOI: 10.7270/Q2NC60H9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50057431 (CHEMBL21475 | [4-(4-Methoxy-phenyl)-butyl]-[2-(6-m...) Show SMILES COc1ccc(CCCCNCCOc2cc(C)cc3CCCOc23)cc1 Show InChI InChI=1S/C23H31NO3/c1-18-16-20-7-5-14-27-23(20)22(17-18)26-15-13-24-12-4-3-6-19-8-10-21(25-2)11-9-19/h8-11,16-17,24H,3-7,12-15H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.780	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from rat hippocampal 5-hydroxytryptamine 1A receptor				J Med Chem 40: 1252-7 (1997) Article DOI: 10.1021/jm960760d BindingDB Entry DOI: 10.7270/Q20R9Q26
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50375457 (CHEMBL261476) Show SMILES C[C@H](N)Cn1ncc2ccc3occc3c12 Show InChI InChI=1S/C12H13N3O/c1-8(13)7-15-12-9(6-14-15)2-3-11-10(12)4-5-16-11/h2-6,8H,7,13H2,1H3/t8-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.780	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from human 5HT2A receptor expressed in CHO cells				Bioorg Med Chem 16: 1966-82 (2008) Article DOI: 10.1016/j.bmc.2007.10.100 BindingDB Entry DOI: 10.7270/Q2TH8NKR
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50375451 (CHEMBL408579) Show SMILES C[C@H](N)Cn1ncc2ccc3oc(C)cc3c12 Show InChI InChI=1S/C13H15N3O/c1-8(14)7-16-13-10(6-15-16)3-4-12-11(13)5-9(2)17-12/h3-6,8H,7,14H2,1-2H3/t8-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.780	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from human 5HT2A receptor expressed in CHO cells				Bioorg Med Chem 16: 1966-82 (2008) Article DOI: 10.1016/j.bmc.2007.10.100 BindingDB Entry DOI: 10.7270/Q2TH8NKR
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50052196 (CHEMBL319597 | N-((S)-1-Bicyclo[3.3.1]non-9-yl-pyr...) Show SMILES CNc1cc(OC)c(cc1Cl)C(=O)N[C@H]1CCN(C1)C1C2CCCC1CCC2 |THB:17:19:26.27.25:22.21.23| Show InChI InChI=1S/C22H32ClN3O2/c1-24-19-12-20(28-2)17(11-18(19)23)22(27)25-16-9-10-26(13-16)21-14-5-3-6-15(21)8-4-7-14/h11-12,14-16,21,24H,3-10,13H2,1-2H3,(H,25,27)/t14?,15?,16-,21?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Binding affinity to rat Dopamine receptor D2 expressesd in CHO cells was determined using [125 I ] iodosulpride as radioligand				J Med Chem 39: 2764-72 (1996) Article DOI: 10.1021/jm9601720 BindingDB Entry DOI: 10.7270/Q2SB44VK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50375450 (CHEMBL407909 | YM-348) Show SMILES CCc1cc2c(ccc3cnn(C[C@H](C)N)c23)o1 Show InChI InChI=1S/C14H17N3O/c1-3-11-6-12-13(18-11)5-4-10-7-16-17(14(10)12)8-9(2)15/h4-7,9H,3,8,15H2,1-2H3/t9-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from human 5HT2C receptor expressed in CHO cells				Bioorg Med Chem 16: 1966-82 (2008) Article DOI: 10.1016/j.bmc.2007.10.100 BindingDB Entry DOI: 10.7270/Q2TH8NKR
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50375450 (CHEMBL407909 | YM-348) Show SMILES CCc1cc2c(ccc3cnn(C[C@H](C)N)c23)o1 Show InChI InChI=1S/C14H17N3O/c1-3-11-6-12-13(18-11)5-4-10-7-16-17(14(10)12)8-9(2)15/h4-7,9H,3,8,15H2,1-2H3/t9-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from human 5HT2C receptor expressed in CHO cells				Bioorg Med Chem 16: 3309-20 (2008) Article DOI: 10.1016/j.bmc.2007.12.009 BindingDB Entry DOI: 10.7270/Q2PN96H0
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50052191 (4-Amino-N-((S)-1-benzyl-pyrrolidin-3-yl)-5-chloro-...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 Show InChI InChI=1S/C19H22ClN3O2/c1-25-18-10-17(21)16(20)9-15(18)19(24)22-14-7-8-23(12-14)11-13-5-3-2-4-6-13/h2-6,9-10,14H,7-8,11-12,21H2,1H3,(H,22,24)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.980	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Binding affinity to rat Dopamine receptor D2 expressesd in CHO cells was determined using [125 I ] iodosulpride as radioligand				J Med Chem 39: 2764-72 (1996) Article DOI: 10.1021/jm9601720 BindingDB Entry DOI: 10.7270/Q2SB44VK
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50114033 (CHEMBL86667 | {4-[2-(3-Biphenyl-4-yl-5-methyl-[1,2...) Show SMILES Cc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1c(C)cccc1OCc1ccc(cc1)C(=O)N1CCC(CC1)N1CCCCC1 |(15.01,-.52,;13.48,-.29,;12.92,1.14,;11.39,1.05,;10.99,-.44,;9.57,-1,;9.33,-2.53,;7.9,-3.09,;6.69,-2.13,;6.92,-.61,;8.35,-.03,;5.26,-2.69,;4.05,-1.71,;2.62,-2.27,;2.38,-3.81,;3.58,-4.77,;5.02,-4.21,;12.29,-1.27,;12.45,-2.79,;11.2,-3.7,;9.8,-3.07,;11.36,-5.22,;12.77,-5.85,;14.02,-4.94,;13.86,-3.42,;15.1,-2.51,;16.53,-3.05,;16.79,-4.56,;18.23,-5.09,;18.49,-6.6,;17.32,-7.6,;15.87,-7.06,;15.59,-5.55,;17.57,-9.12,;19.02,-9.65,;16.39,-10.1,;17.53,-11.13,;17.18,-12.65,;15.71,-13.11,;14.59,-12.07,;14.92,-10.56,;15.48,-14.61,;16.67,-15.57,;16.44,-17.09,;15.01,-17.63,;13.82,-16.67,;14.05,-15.17,)| Show InChI InChI=1S/C40H43N5O2/c1-29-10-9-13-37(38(29)45-30(2)41-42-39(45)34-20-18-33(19-21-34)32-11-5-3-6-12-32)47-28-31-14-16-35(17-15-31)40(46)44-26-22-36(23-27-44)43-24-7-4-8-25-43/h3,5-6,9-21,36H,4,7-8,22-28H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.01	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Binding affinity at cloned human Vasopressin V1a receptor stably expressed in CHO cells, using [3H]-AVP as radioligand				J Med Chem 45: 2589-98 (2002) BindingDB Entry DOI: 10.7270/Q2NC60H9
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50114028 (1-{6-[2-(3-Biphenyl-4-yl-5-methyl-[1,2,4]triazol-4...) Show SMILES CN1CCN(CCCCCCOc2ccccc2-n2c(C)nnc2-c2ccc(cc2)-c2ccccc2)CC1 |(27.25,-2.68,;25.78,-2.25,;24.66,-3.31,;23.19,-2.88,;22.83,-1.38,;21.58,-2.29,;20.18,-1.64,;18.92,-2.53,;17.52,-1.89,;16.26,-2.77,;14.86,-2.13,;13.62,-3.02,;13.76,-4.55,;15.14,-5.18,;15.28,-6.72,;14.02,-7.59,;12.64,-6.96,;12.51,-5.42,;11.12,-4.78,;10.9,-3.25,;11.88,-2.08,;9.38,-2.99,;8.66,-4.36,;9.75,-5.46,;9.49,-6.98,;8.05,-7.52,;7.79,-9.03,;8.98,-10,;10.41,-9.48,;10.68,-7.96,;8.71,-11.52,;7.28,-12.06,;7,-13.57,;8.19,-14.56,;9.64,-14.02,;9.91,-12.51,;23.93,-.31,;25.4,-.75,)| Show InChI InChI=1S/C32H39N5O/c1-26-33-34-32(29-18-16-28(17-19-29)27-12-6-5-7-13-27)37(26)30-14-8-9-15-31(30)38-25-11-4-3-10-20-36-23-21-35(2)22-24-36/h5-9,12-19H,3-4,10-11,20-25H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.04	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Binding affinity at cloned human Vasopressin V1a receptor stably expressed in CHO cells, using [3H]-AVP as radioligand				J Med Chem 45: 2589-98 (2002) BindingDB Entry DOI: 10.7270/Q2NC60H9
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50114034 (1'-{6-[2-(3-Biphenyl-4-yl-5-methyl-[1,2,4]triazol-...) Show SMILES Cc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1ccccc1OCCCCCCN1CCC(CC1)N1CCCCC1 |(6.93,-1.75,;5.55,-2.43,;4.25,-1.61,;3.06,-2.57,;3.62,-4.01,;2.78,-5.3,;1.24,-5.23,;.4,-6.52,;1.1,-7.87,;2.64,-7.96,;3.48,-6.68,;.26,-9.17,;.96,-10.54,;.12,-11.84,;-1.42,-11.74,;-2.11,-10.37,;-1.28,-9.08,;5.16,-3.93,;6.17,-5.07,;5.68,-6.54,;6.69,-7.68,;8.2,-7.38,;8.69,-5.91,;7.66,-4.77,;8.15,-3.3,;9.52,-2.62,;10.8,-3.48,;12.18,-2.78,;13.46,-3.65,;14.84,-2.95,;16.13,-3.81,;17.5,-3.13,;19.04,-3.27,;19.93,-2.04,;19.3,-.63,;17.76,-.47,;16.87,-1.73,;20.09,.67,;19.39,2.01,;20.21,3.3,;21.73,3.24,;22.45,1.91,;21.63,.61,)| Show InChI InChI=1S/C37H47N5O/c1-30-38-39-37(33-20-18-32(19-21-33)31-14-6-4-7-15-31)42(30)35-16-8-9-17-36(35)43-29-13-3-2-10-24-40-27-22-34(23-28-40)41-25-11-5-12-26-41/h4,6-9,14-21,34H,2-3,5,10-13,22-29H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.05	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Binding affinity at cloned human Vasopressin V1a receptor stably expressed in CHO cells, using [3H]-AVP as radioligand				J Med Chem 45: 2589-98 (2002) BindingDB Entry DOI: 10.7270/Q2NC60H9
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50052191 (4-Amino-N-((S)-1-benzyl-pyrrolidin-3-yl)-5-chloro-...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 Show InChI InChI=1S/C19H22ClN3O2/c1-25-18-10-17(21)16(20)9-15(18)19(24)22-14-7-8-23(12-14)11-13-5-3-2-4-6-13/h2-6,9-10,14H,7-8,11-12,21H2,1H3,(H,22,24)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
Yamanouchi Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Binding affinity to Human Dopamine receptor D4 expressed in CHO cells was determined using [3H]- nemonapride as radioligand				J Med Chem 39: 2764-72 (1996) Article DOI: 10.1021/jm9601720 BindingDB Entry DOI: 10.7270/Q2SB44VK
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Binding affinity to rat Dopamine receptor D2 expressesd in CHO cells was determined using [125 I ] iodosulpride as radioligand				J Med Chem 39: 2764-72 (1996) Article DOI: 10.1021/jm9601720 BindingDB Entry DOI: 10.7270/Q2SB44VK
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50108498 (Biphenyl-2-carboxylic acid (4-{5-[2-(4-dimethylami...) Show SMILES CN(C)C1CCN(CC1)C(=O)\C=C1\c2ccccc2N(CCC1(F)F)C(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1 Show InChI InChI=1S/C39H38F2N4O3/c1-43(2)30-20-23-44(24-21-30)36(46)26-34-33-14-8-9-15-35(33)45(25-22-39(34,40)41)38(48)28-16-18-29(19-17-28)42-37(47)32-13-7-6-12-31(32)27-10-4-3-5-11-27/h3-19,26,30H,20-25H2,1-2H3,(H,42,47)/b34-26-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Binding affinity at cloned human Vasopressin V2 receptor stably expressed in CHO cells, using [3H]-AVP as radioligand				J Med Chem 45: 2589-98 (2002) BindingDB Entry DOI: 10.7270/Q2NC60H9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50052194 (4-Amino-N-((R)-1-benzyl-pyrrolidin-3-yl)-5-chloro-...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 Show InChI InChI=1S/C19H22ClN3O2/c1-25-18-10-17(21)16(20)9-15(18)19(24)22-14-7-8-23(12-14)11-13-5-3-2-4-6-13/h2-6,9-10,14H,7-8,11-12,21H2,1H3,(H,22,24)/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Binding affinity to rat Dopamine receptor D2 expressesd in CHO cells was determined using [125 I ] iodosulpride as radioligand				J Med Chem 39: 2764-72 (1996) Article DOI: 10.1021/jm9601720 BindingDB Entry DOI: 10.7270/Q2SB44VK
					More data for this Ligand-Target Pair

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