Compile Data Set for Download or QSAR

Found 539 hits with Last Name = 'mase' and Initial = 't'   

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
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
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
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
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 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
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM86231 (ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...) Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |THB:9:7:1:3.4| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	0.25	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 297: 790-7 (2001) BindingDB Entry DOI: 10.7270/Q24T6GX9
					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))	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
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
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
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM86231 (ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...) Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |THB:9:7:1:3.4| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	0.340	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 297: 790-7 (2001) BindingDB Entry DOI: 10.7270/Q24T6GX9
					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
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
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM82372 (CAS_22254-24-6 | Ipratropium | NSC_3746) Show SMILES CC(C)[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |TLB:1:3:6.7:9.10.11,THB:4:3:6.7:9.10.11,12:10:3:6.7,(-1.51,-1.3,;-.6,-.05,;-1.22,1.36,;.93,-.22,;1.51,1.21,;1.98,-1.04,;1.38,-2.36,;.22,-3.07,;1.19,-1.74,;3.01,-1.74,;3.97,-2.54,;3.71,-1.01,;4.74,-3.87,;3.97,-5.2,;2.43,-5.2,;4.74,-6.54,;6.28,-6.54,;7.05,-7.87,;3.97,-7.87,;4.73,-9.21,;3.96,-10.54,;2.42,-10.54,;1.65,-9.2,;2.43,-7.87,)| Show InChI InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	PubMed	0.490	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 297: 790-7 (2001) BindingDB Entry DOI: 10.7270/Q24T6GX9
					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
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM86231 (ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...) Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |THB:9:7:1:3.4| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	0.5	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 297: 790-7 (2001) BindingDB Entry DOI: 10.7270/Q24T6GX9
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM82372 (CAS_22254-24-6 | Ipratropium | NSC_3746) Show SMILES CC(C)[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |TLB:1:3:6.7:9.10.11,THB:4:3:6.7:9.10.11,12:10:3:6.7,(-1.51,-1.3,;-.6,-.05,;-1.22,1.36,;.93,-.22,;1.51,1.21,;1.98,-1.04,;1.38,-2.36,;.22,-3.07,;1.19,-1.74,;3.01,-1.74,;3.97,-2.54,;3.71,-1.01,;4.74,-3.87,;3.97,-5.2,;2.43,-5.2,;4.74,-6.54,;6.28,-6.54,;7.05,-7.87,;3.97,-7.87,;4.73,-9.21,;3.96,-10.54,;2.42,-10.54,;1.65,-9.2,;2.43,-7.87,)| Show InChI InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	PubMed	0.510	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 297: 790-7 (2001) BindingDB Entry DOI: 10.7270/Q24T6GX9
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M5 (Homo sapiens (Human))	BDBM86231 (ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...) Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |THB:9:7:1:3.4| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	0.540	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 297: 790-7 (2001) BindingDB Entry DOI: 10.7270/Q24T6GX9
					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(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(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))	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
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM82372 (CAS_22254-24-6 | Ipratropium | NSC_3746) Show SMILES CC(C)[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |TLB:1:3:6.7:9.10.11,THB:4:3:6.7:9.10.11,12:10:3:6.7,(-1.51,-1.3,;-.6,-.05,;-1.22,1.36,;.93,-.22,;1.51,1.21,;1.98,-1.04,;1.38,-2.36,;.22,-3.07,;1.19,-1.74,;3.01,-1.74,;3.97,-2.54,;3.71,-1.01,;4.74,-3.87,;3.97,-5.2,;2.43,-5.2,;4.74,-6.54,;6.28,-6.54,;7.05,-7.87,;3.97,-7.87,;4.73,-9.21,;3.96,-10.54,;2.42,-10.54,;1.65,-9.2,;2.43,-7.87,)| Show InChI InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	PubMed	0.660	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 297: 790-7 (2001) BindingDB Entry DOI: 10.7270/Q24T6GX9
					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
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
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
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50109647 (2-{1-[2-(2,3-Dihydro-benzofuran-5-yl)-ethyl]-pyrro...) Show SMILES NC(=O)C([C@@H]1CCN(CCc2ccc3OCCc3c2)C1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H30N2O2/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26/h1-12,19,25H,13-18,20H2,(H2,29,31)/t25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank PubMed	0.840	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 297: 790-7 (2001) BindingDB Entry DOI: 10.7270/Q24T6GX9
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50109647 (2-{1-[2-(2,3-Dihydro-benzofuran-5-yl)-ethyl]-pyrro...) Show SMILES NC(=O)C([C@@H]1CCN(CCc2ccc3OCCc3c2)C1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H30N2O2/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26/h1-12,19,25H,13-18,20H2,(H2,29,31)/t25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank PubMed	0.840	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Binding affinity (Ki) against binding of [3H]NMS using membranes from CHO cells expressing cloned human Muscarinic acetylcholine receptor M3				J Med Chem 45: 984-7 (2002) BindingDB Entry DOI: 10.7270/Q2P26ZVK
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50095656 (2-(3,3-Difluoro-cyclopentyl)-2-hydroxy-N-[1-(3-met...) Show SMILES Cc1cccc(CN2CCC(CC2)NC(=O)[C@@](O)([C@@H]2CCC(F)(F)C2)c2ccccc2)c1 Show InChI InChI=1S/C26H32F2N2O2/c1-19-6-5-7-20(16-19)18-30-14-11-23(12-15-30)29-24(31)26(32,21-8-3-2-4-9-21)22-10-13-25(27,28)17-22/h2-9,16,22-23,32H,10-15,17-18H2,1H3,(H,29,31)/t22-,26+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [3H]-NMS binding to human muscarinic acetylcholine receptor M1 expressed in CHO cells				J Med Chem 43: 5017-29 (2001) BindingDB Entry DOI: 10.7270/Q2HM57P7
					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
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50129387 ((R)-1-(4-Amino-piperidin-1-yl)-2-cyclopentyl-2-hyd...) Show SMILES NC1CCN(CC1)C(=O)[C@@](O)(C1CCCC1)c1ccccc1 Show InChI InChI=1S/C18H26N2O2/c19-16-10-12-20(13-11-16)17(21)18(22,15-8-4-5-9-15)14-6-2-1-3-7-14/h1-3,6-7,15-16,22H,4-5,8-13,19H2/t18-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.980	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against human Muscarinic acetylcholine receptor M1 in transfected CHO cells				Bioorg Med Chem Lett 13: 2167-72 (2003) BindingDB Entry DOI: 10.7270/Q29G5M68
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50129390 ((R)-1-[4-(2-Amino-ethyl)-4-ethyl-piperidin-1-yl]-2...) Show SMILES CCC1(CCN)CCN(CC1)C(=O)[C@@](O)([C@@H]1CCC(F)(F)C1)c1ccccc1 Show InChI InChI=1S/C22H32F2N2O2/c1-2-20(10-13-25)11-14-26(15-12-20)19(27)22(28,17-6-4-3-5-7-17)18-8-9-21(23,24)16-18/h3-7,18,28H,2,8-16,25H2,1H3/t18-,22+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against human Muscarinic acetylcholine receptor M1 in transfected CHO cells				Bioorg Med Chem Lett 13: 2167-72 (2003) BindingDB Entry DOI: 10.7270/Q29G5M68
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50129399 ((R)-1-[4-(2-Amino-ethyl)-piperidin-1-yl]-2-cyclope...) Show SMILES NCCC1CCN(CC1)C(=O)[C@@](O)(C1CCCC1)c1ccccc1 Show InChI InChI=1S/C20H30N2O2/c21-13-10-16-11-14-22(15-12-16)19(23)20(24,18-8-4-5-9-18)17-6-2-1-3-7-17/h1-3,6-7,16,18,24H,4-5,8-15,21H2/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against human muscarinic acetylcholine receptor M3 in transfected CHO cells				Bioorg Med Chem Lett 13: 2167-72 (2003) BindingDB Entry DOI: 10.7270/Q29G5M68
					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
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
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50129392 ((R)-1-[4-(2-Amino-ethylidene)-piperidin-1-yl]-2-((...) Show SMILES [#7]-[#6]\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)[C@@]([#8])([#6@@H]-1-[#6]-[#6]C(F)(F)[#6]-1)c1ccccc1 Show InChI InChI=1S/C20H26F2N2O2/c21-19(22)10-6-17(14-19)20(26,16-4-2-1-3-5-16)18(25)24-12-8-15(7-11-23)9-13-24/h1-5,7,17,26H,6,8-14,23H2/t17-,20+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against human muscarinic acetylcholine receptor M3 in transfected CHO cells				Bioorg Med Chem Lett 13: 2167-72 (2003) BindingDB Entry DOI: 10.7270/Q29G5M68
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50095679 (2-(3,3-Difluoro-cyclopentyl)-2-hydroxy-N-[1-(3-hyd...) Show SMILES Oc1cccc(CN2CCC(CC2)NC(=O)[C@@](O)([C@@H]2CCC(F)(F)C2)c2ccccc2)c1 Show InChI InChI=1S/C25H30F2N2O3/c26-24(27)12-9-20(16-24)25(32,19-6-2-1-3-7-19)23(31)28-21-10-13-29(14-11-21)17-18-5-4-8-22(30)15-18/h1-8,15,20-21,30,32H,9-14,16-17H2,(H,28,31)/t20-,25+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [3H]-NMS binding to human muscarinic acetylcholine receptor M1 expressed in CHO cells				J Med Chem 43: 5017-29 (2001) BindingDB Entry DOI: 10.7270/Q2HM57P7
					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
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50129392 ((R)-1-[4-(2-Amino-ethylidene)-piperidin-1-yl]-2-((...) Show SMILES [#7]-[#6]\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)[C@@]([#8])([#6@@H]-1-[#6]-[#6]C(F)(F)[#6]-1)c1ccccc1 Show InChI InChI=1S/C20H26F2N2O2/c21-19(22)10-6-17(14-19)20(26,16-4-2-1-3-5-16)18(25)24-12-8-15(7-11-23)9-13-24/h1-5,7,17,26H,6,8-14,23H2/t17-,20+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against human Muscarinic acetylcholine receptor M1 in transfected CHO cells				Bioorg Med Chem Lett 13: 2167-72 (2003) BindingDB Entry DOI: 10.7270/Q29G5M68
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50052186 (4-Acryloylamino-N-((S)-1-benzyl-pyrrolidin-3-yl)-5...) Show SMILES COc1cc(NC(=O)C=C)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 Show InChI InChI=1S/C22H24ClN3O3/c1-3-21(27)25-19-12-20(29-2)17(11-18(19)23)22(28)24-16-9-10-26(14-16)13-15-7-5-4-6-8-15/h3-8,11-12,16H,1,9-10,13-14H2,2H3,(H,24,28)(H,25,27)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	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
5-hydroxytryptamine receptor 1A (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 KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	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

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