Compile Data Set for Download or QSAR

Found 367 hits with Last Name = 'kano' and Initial = 'e'   

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(3) dopamine receptor (Homo sapiens (Human))	BDBM50116766 ((-)-Pramipexole | (6S)-N(6)-propyl-4,5,6,7-tetrahy...) Show SMILES CCCN[C@H]1CCc2nc(N)sc2C1 |r| Show InChI InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)/t7-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Neurological Disorders and Stroke Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from D3 receptor (unknown origin) measured after 90 mins by microbeta scintillation counting method				J Med Chem 63: 5526-5567 (2020) Article DOI: 10.1021/acs.jmedchem.0c00424 BindingDB Entry DOI: 10.7270/Q28D00QN
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50116766 ((-)-Pramipexole | (6S)-N(6)-propyl-4,5,6,7-tetrahy...) Show SMILES CCCN[C@H]1CCc2nc(N)sc2C1 |r| Show InChI InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)/t7-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.940	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Neurological Disorders and Stroke Curated by ChEMBL					Assay Description Displacement of [3H]-7-OH-DPAT from human D3R expressed in HEK293 cell membranes measured after 90 mins in Tris buffer by topcount assay				J Med Chem 63: 5526-5567 (2020) Article DOI: 10.1021/acs.jmedchem.0c00424 BindingDB Entry DOI: 10.7270/Q28D00QN
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50116766 ((-)-Pramipexole | (6S)-N(6)-propyl-4,5,6,7-tetrahy...) Show SMILES CCCN[C@H]1CCc2nc(N)sc2C1 |r| Show InChI InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)/t7-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Neurological Disorders and Stroke Curated by ChEMBL					Assay Description Displacement of [3H]-7-OH-DPAT from human D3R expressed in HEK293 cell membranes measured after 90 mins in EBSS buffer by topcount assay				J Med Chem 63: 5526-5567 (2020) Article DOI: 10.1021/acs.jmedchem.0c00424 BindingDB Entry DOI: 10.7270/Q28D00QN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tissue alpha-L-fucosidase (Bos taurus)	BDBM50065258 ((2S,3R,4S,5R)-2-Methyl-piperidine-3,4,5-triol | (2...) Show SMILES C[C@@H]1NC[C@@H](O)[C@H](O)[C@@H]1O Show InChI InChI=1S/C6H13NO3/c1-3-5(9)6(10)4(8)2-7-3/h3-10H,2H2,1H3/t3-,4+,5+,6-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Toyama Medical and Pharmaceutical University Curated by ChEMBL					Assay Description Ki value against bovine alpha-L-fucosidase				J Med Chem 48: 2036-44 (2005) Article DOI: 10.1021/jm0495881 BindingDB Entry DOI: 10.7270/Q2DF6S0M
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50116766 ((-)-Pramipexole | (6S)-N(6)-propyl-4,5,6,7-tetrahy...) Show SMILES CCCN[C@H]1CCc2nc(N)sc2C1 |r| Show InChI InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)/t7-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Neurological Disorders and Stroke Curated by ChEMBL					Assay Description Displacement of [3H]-methylspiperon from human D2RL expressed in HEK293 cell membranes measured after 90 mins by topcount assay				J Med Chem 63: 5526-5567 (2020) Article DOI: 10.1021/acs.jmedchem.0c00424 BindingDB Entry DOI: 10.7270/Q28D00QN
					More data for this Ligand-Target Pair
Tissue alpha-L-fucosidase (Bos taurus)	BDBM50065257 ((2R,3R,4R,5R,6S)-2-Hydroxymethyl-6-methyl-piperidi...) Show SMILES C[C@@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C7H15NO4/c1-3-5(10)7(12)6(11)4(2-9)8-3/h3-12H,2H2,1H3/t3-,4+,5+,6+,7+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Toyama Medical and Pharmaceutical University Curated by ChEMBL					Assay Description Ki value against bovine alpha-L-fucosidase				J Med Chem 48: 2036-44 (2005) Article DOI: 10.1021/jm0495881 BindingDB Entry DOI: 10.7270/Q2DF6S0M
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50400511 (CHEMBL2203406) Show SMILES CCCN(CC[C@]1(O)C[C@@H](C1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:6.5,9.11,wD:24.26,6.6,(12.17,-57.06,;12.17,-55.52,;10.84,-54.75,;10.84,-53.21,;12.18,-52.44,;13.51,-53.21,;14.85,-52.45,;14.83,-53.98,;16.33,-52.85,;16.73,-51.37,;15.24,-50.96,;18.07,-50.6,;19.4,-51.38,;19.39,-52.92,;20.77,-50.64,;20.76,-49.1,;22.08,-48.34,;23.41,-49.1,;24.74,-48.33,;26.07,-49.11,;26.07,-50.65,;24.73,-51.41,;23.4,-50.63,;22.09,-51.39,;9.51,-52.44,;9.51,-50.9,;8.18,-50.12,;6.85,-50.89,;5.38,-50.41,;4.47,-51.66,;2.93,-51.66,;5.38,-52.92,;6.85,-52.44,;8.18,-53.2,)| Show InChI InChI=1S/C27H34N4O2S/c1-2-12-31(22-9-10-23-24(15-22)34-26(28)30-23)13-11-27(33)16-21(17-27)29-25(32)20-8-7-18-5-3-4-6-19(18)14-20/h3-8,14,21-22,33H,2,9-13,15-17H2,1H3,(H2,28,30)(H,29,32)/t21-,22-,27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Neurological Disorders and Stroke Curated by ChEMBL					Assay Description Displacement of [3H]-methylspiperon from human D3R expressed in HEK293 cell membranes measured after 90 mins in EBSS buffer by topcount assay				J Med Chem 63: 5526-5567 (2020) Article DOI: 10.1021/acs.jmedchem.0c00424 BindingDB Entry DOI: 10.7270/Q28D00QN
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50116766 ((-)-Pramipexole | (6S)-N(6)-propyl-4,5,6,7-tetrahy...) Show SMILES CCCN[C@H]1CCc2nc(N)sc2C1 |r| Show InChI InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)/t7-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Neurological Disorders and Stroke Curated by ChEMBL					Assay Description Displacement of [3H]-7-OH-DPAT from human D3R expressed in HEK293 cell membranes measured after 90 mins in Tris buffer containing NaCl by topcount as...				J Med Chem 63: 5526-5567 (2020) Article DOI: 10.1021/acs.jmedchem.0c00424 BindingDB Entry DOI: 10.7270/Q28D00QN
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50116766 ((-)-Pramipexole | (6S)-N(6)-propyl-4,5,6,7-tetrahy...) Show SMILES CCCN[C@H]1CCc2nc(N)sc2C1 |r| Show InChI InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)/t7-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	8.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Neurological Disorders and Stroke Curated by ChEMBL					Assay Description Displacement of [3H]-methylspiperon from human D3R expressed in HEK293 cell membranes measured after 90 mins in EBSS buffer by topcount assay				J Med Chem 63: 5526-5567 (2020) Article DOI: 10.1021/acs.jmedchem.0c00424 BindingDB Entry DOI: 10.7270/Q28D00QN
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50527972 (CHEMBL4476784 | US11634404, Compound 1) Show SMILES COc1ccc(OCCN2CCN(CC2)C(=O)c2cc3ccccc3[nH]2)cc1 Show InChI InChI=1S/C22H25N3O3/c1-27-18-6-8-19(9-7-18)28-15-14-24-10-12-25(13-11-24)22(26)21-16-17-4-2-3-5-20(17)23-21/h2-9,16,23H,10-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Neurological Disorders and Stroke Curated by ChEMBL					Assay Description Displacement of [3H]-7-OH-DPAT from human D3R expressed in HEK293 cell membranes measured after 90 mins in Tris buffer containing MgCl2 by topcount a...				J Med Chem 63: 5526-5567 (2020) Article DOI: 10.1021/acs.jmedchem.0c00424 BindingDB Entry DOI: 10.7270/Q28D00QN
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50116766 ((-)-Pramipexole | (6S)-N(6)-propyl-4,5,6,7-tetrahy...) Show SMILES CCCN[C@H]1CCc2nc(N)sc2C1 |r| Show InChI InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)/t7-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Neurological Disorders and Stroke Curated by ChEMBL					Assay Description Displacement of [3H]-methylspiperon from human D3R expressed in HEK293 cell membranes measured after 90 mins in Tris buffer by topcount assay				J Med Chem 63: 5526-5567 (2020) Article DOI: 10.1021/acs.jmedchem.0c00424 BindingDB Entry DOI: 10.7270/Q28D00QN
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50116766 ((-)-Pramipexole | (6S)-N(6)-propyl-4,5,6,7-tetrahy...) Show SMILES CCCN[C@H]1CCc2nc(N)sc2C1 |r| Show InChI InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)/t7-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Neurological Disorders and Stroke Curated by ChEMBL					Assay Description Displacement of [3H]-methylspiperon from human D3R expressed in HEK293 cell membranes measured after 90 mins in Tris buffer containing NaCl by topcou...				J Med Chem 63: 5526-5567 (2020) Article DOI: 10.1021/acs.jmedchem.0c00424 BindingDB Entry DOI: 10.7270/Q28D00QN
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50400511 (CHEMBL2203406) Show SMILES CCCN(CC[C@]1(O)C[C@@H](C1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:6.5,9.11,wD:24.26,6.6,(12.17,-57.06,;12.17,-55.52,;10.84,-54.75,;10.84,-53.21,;12.18,-52.44,;13.51,-53.21,;14.85,-52.45,;14.83,-53.98,;16.33,-52.85,;16.73,-51.37,;15.24,-50.96,;18.07,-50.6,;19.4,-51.38,;19.39,-52.92,;20.77,-50.64,;20.76,-49.1,;22.08,-48.34,;23.41,-49.1,;24.74,-48.33,;26.07,-49.11,;26.07,-50.65,;24.73,-51.41,;23.4,-50.63,;22.09,-51.39,;9.51,-52.44,;9.51,-50.9,;8.18,-50.12,;6.85,-50.89,;5.38,-50.41,;4.47,-51.66,;2.93,-51.66,;5.38,-52.92,;6.85,-52.44,;8.18,-53.2,)| Show InChI InChI=1S/C27H34N4O2S/c1-2-12-31(22-9-10-23-24(15-22)34-26(28)30-23)13-11-27(33)16-21(17-27)29-25(32)20-8-7-18-5-3-4-6-19(18)14-20/h3-8,14,21-22,33H,2,9-13,15-17H2,1H3,(H2,28,30)(H,29,32)/t21-,22-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Neurological Disorders and Stroke Curated by ChEMBL					Assay Description Displacement of [3H]-methylspiperon from human D2RL expressed in HEK293 cell membranes measured after 90 mins by topcount assay				J Med Chem 63: 5526-5567 (2020) Article DOI: 10.1021/acs.jmedchem.0c00424 BindingDB Entry DOI: 10.7270/Q28D00QN
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50527972 (CHEMBL4476784 | US11634404, Compound 1) Show SMILES COc1ccc(OCCN2CCN(CC2)C(=O)c2cc3ccccc3[nH]2)cc1 Show InChI InChI=1S/C22H25N3O3/c1-27-18-6-8-19(9-7-18)28-15-14-24-10-12-25(13-11-24)22(26)21-16-17-4-2-3-5-20(17)23-21/h2-9,16,23H,10-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Neurological Disorders and Stroke Curated by ChEMBL					Assay Description Displacement of [3H]-7-OH-DPAT from human D3R expressed in HEK293 cell membranes measured after 90 mins in Tris buffer by topcount assay				J Med Chem 63: 5526-5567 (2020) Article DOI: 10.1021/acs.jmedchem.0c00424 BindingDB Entry DOI: 10.7270/Q28D00QN
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50116766 ((-)-Pramipexole | (6S)-N(6)-propyl-4,5,6,7-tetrahy...) Show SMILES CCCN[C@H]1CCc2nc(N)sc2C1 |r| Show InChI InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)/t7-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Neurological Disorders and Stroke Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from recombinant human D4 receptor stably expressed in HEK cell membranes measured after 90 mins by microbeta ...				J Med Chem 63: 5526-5567 (2020) Article DOI: 10.1021/acs.jmedchem.0c00424 BindingDB Entry DOI: 10.7270/Q28D00QN
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50400511 (CHEMBL2203406) Show SMILES CCCN(CC[C@]1(O)C[C@@H](C1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:6.5,9.11,wD:24.26,6.6,(12.17,-57.06,;12.17,-55.52,;10.84,-54.75,;10.84,-53.21,;12.18,-52.44,;13.51,-53.21,;14.85,-52.45,;14.83,-53.98,;16.33,-52.85,;16.73,-51.37,;15.24,-50.96,;18.07,-50.6,;19.4,-51.38,;19.39,-52.92,;20.77,-50.64,;20.76,-49.1,;22.08,-48.34,;23.41,-49.1,;24.74,-48.33,;26.07,-49.11,;26.07,-50.65,;24.73,-51.41,;23.4,-50.63,;22.09,-51.39,;9.51,-52.44,;9.51,-50.9,;8.18,-50.12,;6.85,-50.89,;5.38,-50.41,;4.47,-51.66,;2.93,-51.66,;5.38,-52.92,;6.85,-52.44,;8.18,-53.2,)| Show InChI InChI=1S/C27H34N4O2S/c1-2-12-31(22-9-10-23-24(15-22)34-26(28)30-23)13-11-27(33)16-21(17-27)29-25(32)20-8-7-18-5-3-4-6-19(18)14-20/h3-8,14,21-22,33H,2,9-13,15-17H2,1H3,(H2,28,30)(H,29,32)/t21-,22-,27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Neurological Disorders and Stroke Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from D3 receptor (unknown origin) measured after 90 mins by microbeta scintillation counting method				J Med Chem 63: 5526-5567 (2020) Article DOI: 10.1021/acs.jmedchem.0c00424 BindingDB Entry DOI: 10.7270/Q28D00QN
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50400511 (CHEMBL2203406) Show SMILES CCCN(CC[C@]1(O)C[C@@H](C1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:6.5,9.11,wD:24.26,6.6,(12.17,-57.06,;12.17,-55.52,;10.84,-54.75,;10.84,-53.21,;12.18,-52.44,;13.51,-53.21,;14.85,-52.45,;14.83,-53.98,;16.33,-52.85,;16.73,-51.37,;15.24,-50.96,;18.07,-50.6,;19.4,-51.38,;19.39,-52.92,;20.77,-50.64,;20.76,-49.1,;22.08,-48.34,;23.41,-49.1,;24.74,-48.33,;26.07,-49.11,;26.07,-50.65,;24.73,-51.41,;23.4,-50.63,;22.09,-51.39,;9.51,-52.44,;9.51,-50.9,;8.18,-50.12,;6.85,-50.89,;5.38,-50.41,;4.47,-51.66,;2.93,-51.66,;5.38,-52.92,;6.85,-52.44,;8.18,-53.2,)| Show InChI InChI=1S/C27H34N4O2S/c1-2-12-31(22-9-10-23-24(15-22)34-26(28)30-23)13-11-27(33)16-21(17-27)29-25(32)20-8-7-18-5-3-4-6-19(18)14-20/h3-8,14,21-22,33H,2,9-13,15-17H2,1H3,(H2,28,30)(H,29,32)/t21-,22-,27-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Neurological Disorders and Stroke Curated by ChEMBL					Assay Description Displacement of [3H]-citalopram from human SERT receptor expressed in stable HEK cell membranes after 90 mins by microbeta scintillation counting met...				J Med Chem 63: 5526-5567 (2020) Article DOI: 10.1021/acs.jmedchem.0c00424 BindingDB Entry DOI: 10.7270/Q28D00QN
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50400511 (CHEMBL2203406) Show SMILES CCCN(CC[C@]1(O)C[C@@H](C1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:6.5,9.11,wD:24.26,6.6,(12.17,-57.06,;12.17,-55.52,;10.84,-54.75,;10.84,-53.21,;12.18,-52.44,;13.51,-53.21,;14.85,-52.45,;14.83,-53.98,;16.33,-52.85,;16.73,-51.37,;15.24,-50.96,;18.07,-50.6,;19.4,-51.38,;19.39,-52.92,;20.77,-50.64,;20.76,-49.1,;22.08,-48.34,;23.41,-49.1,;24.74,-48.33,;26.07,-49.11,;26.07,-50.65,;24.73,-51.41,;23.4,-50.63,;22.09,-51.39,;9.51,-52.44,;9.51,-50.9,;8.18,-50.12,;6.85,-50.89,;5.38,-50.41,;4.47,-51.66,;2.93,-51.66,;5.38,-52.92,;6.85,-52.44,;8.18,-53.2,)| Show InChI InChI=1S/C27H34N4O2S/c1-2-12-31(22-9-10-23-24(15-22)34-26(28)30-23)13-11-27(33)16-21(17-27)29-25(32)20-8-7-18-5-3-4-6-19(18)14-20/h3-8,14,21-22,33H,2,9-13,15-17H2,1H3,(H2,28,30)(H,29,32)/t21-,22-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Neurological Disorders and Stroke Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from recombinant human D4 receptor stably expressed in HEK cell membranes measured after 90 mins by microbeta ...				J Med Chem 63: 5526-5567 (2020) Article DOI: 10.1021/acs.jmedchem.0c00424 BindingDB Entry DOI: 10.7270/Q28D00QN
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50116766 ((-)-Pramipexole | (6S)-N(6)-propyl-4,5,6,7-tetrahy...) Show SMILES CCCN[C@H]1CCc2nc(N)sc2C1 |r| Show InChI InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)/t7-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Neurological Disorders and Stroke Curated by ChEMBL					Assay Description Displacement of [3H]-rauwolscine from recombinant human alpha2C adrenergic receptor stably expressed in MDCK cell membranes measured after 90 mins by...				J Med Chem 63: 5526-5567 (2020) Article DOI: 10.1021/acs.jmedchem.0c00424 BindingDB Entry DOI: 10.7270/Q28D00QN
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM50116766 ((-)-Pramipexole | (6S)-N(6)-propyl-4,5,6,7-tetrahy...) Show SMILES CCCN[C@H]1CCc2nc(N)sc2C1 |r| Show InChI InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)/t7-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Neurological Disorders and Stroke Curated by ChEMBL					Assay Description Displacement of [3H]-rauwolscine from recombinant human alpha2B adrenergic receptor transiently expressed in HEKT cell membranes measured after 90 mi...				J Med Chem 63: 5526-5567 (2020) Article DOI: 10.1021/acs.jmedchem.0c00424 BindingDB Entry DOI: 10.7270/Q28D00QN
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50116766 ((-)-Pramipexole | (6S)-N(6)-propyl-4,5,6,7-tetrahy...) Show SMILES CCCN[C@H]1CCc2nc(N)sc2C1 |r| Show InChI InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)/t7-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Neurological Disorders and Stroke Curated by ChEMBL					Assay Description Displacement of [3H]-rauwolscine from recombinant human alpha2A adrenergic receptor stably expressed in MDCK cell membranes measured after 90 mins by...				J Med Chem 63: 5526-5567 (2020) Article DOI: 10.1021/acs.jmedchem.0c00424 BindingDB Entry DOI: 10.7270/Q28D00QN
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50527972 (CHEMBL4476784 | US11634404, Compound 1) Show SMILES COc1ccc(OCCN2CCN(CC2)C(=O)c2cc3ccccc3[nH]2)cc1 Show InChI InChI=1S/C22H25N3O3/c1-27-18-6-8-19(9-7-18)28-15-14-24-10-12-25(13-11-24)22(26)21-16-17-4-2-3-5-20(17)23-21/h2-9,16,23H,10-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Neurological Disorders and Stroke Curated by ChEMBL					Assay Description Displacement of [125I]-pindolol from recombinant human beta1 adrenergic receptor expressed in CHO Flp-In cell membranes measured after 90 mins by mic...				J Med Chem 63: 5526-5567 (2020) Article DOI: 10.1021/acs.jmedchem.0c00424 BindingDB Entry DOI: 10.7270/Q28D00QN
					More data for this Ligand-Target Pair
Tissue alpha-L-fucosidase (Bos taurus)	BDBM50163439 ((2S,3R,4S,5R)-2-Hydroxymethyl-piperidine-3,4,5-tri...) Show SMILES OC[C@@H]1NC[C@@H](O)[C@H](O)[C@@H]1O Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5+,6-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Toyama Medical and Pharmaceutical University Curated by ChEMBL					Assay Description Ki value against bovine alpha-L-fucosidase				J Med Chem 48: 2036-44 (2005) Article DOI: 10.1021/jm0495881 BindingDB Entry DOI: 10.7270/Q2DF6S0M
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50527972 (CHEMBL4476784 | US11634404, Compound 1) Show SMILES COc1ccc(OCCN2CCN(CC2)C(=O)c2cc3ccccc3[nH]2)cc1 Show InChI InChI=1S/C22H25N3O3/c1-27-18-6-8-19(9-7-18)28-15-14-24-10-12-25(13-11-24)22(26)21-16-17-4-2-3-5-20(17)23-21/h2-9,16,23H,10-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Neurological Disorders and Stroke Curated by ChEMBL					Assay Description Displacement of [3H]-7-OH-DPAT from human D3R expressed in HEK293 cell membranes measured after 90 mins in Tris buffer containing NaCl by topcount as...				J Med Chem 63: 5526-5567 (2020) Article DOI: 10.1021/acs.jmedchem.0c00424 BindingDB Entry DOI: 10.7270/Q28D00QN
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50400511 (CHEMBL2203406) Show SMILES CCCN(CC[C@]1(O)C[C@@H](C1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:6.5,9.11,wD:24.26,6.6,(12.17,-57.06,;12.17,-55.52,;10.84,-54.75,;10.84,-53.21,;12.18,-52.44,;13.51,-53.21,;14.85,-52.45,;14.83,-53.98,;16.33,-52.85,;16.73,-51.37,;15.24,-50.96,;18.07,-50.6,;19.4,-51.38,;19.39,-52.92,;20.77,-50.64,;20.76,-49.1,;22.08,-48.34,;23.41,-49.1,;24.74,-48.33,;26.07,-49.11,;26.07,-50.65,;24.73,-51.41,;23.4,-50.63,;22.09,-51.39,;9.51,-52.44,;9.51,-50.9,;8.18,-50.12,;6.85,-50.89,;5.38,-50.41,;4.47,-51.66,;2.93,-51.66,;5.38,-52.92,;6.85,-52.44,;8.18,-53.2,)| Show InChI InChI=1S/C27H34N4O2S/c1-2-12-31(22-9-10-23-24(15-22)34-26(28)30-23)13-11-27(33)16-21(17-27)29-25(32)20-8-7-18-5-3-4-6-19(18)14-20/h3-8,14,21-22,33H,2,9-13,15-17H2,1H3,(H2,28,30)(H,29,32)/t21-,22-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Neurological Disorders and Stroke Curated by ChEMBL					Assay Description Displacement of [3H]-pyrilamine from human histamine H1 receptor expressed in stable HEK cell membranes after 90 mins by microbeta scintillation coun...				J Med Chem 63: 5526-5567 (2020) Article DOI: 10.1021/acs.jmedchem.0c00424 BindingDB Entry DOI: 10.7270/Q28D00QN
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50400511 (CHEMBL2203406) Show SMILES CCCN(CC[C@]1(O)C[C@@H](C1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:6.5,9.11,wD:24.26,6.6,(12.17,-57.06,;12.17,-55.52,;10.84,-54.75,;10.84,-53.21,;12.18,-52.44,;13.51,-53.21,;14.85,-52.45,;14.83,-53.98,;16.33,-52.85,;16.73,-51.37,;15.24,-50.96,;18.07,-50.6,;19.4,-51.38,;19.39,-52.92,;20.77,-50.64,;20.76,-49.1,;22.08,-48.34,;23.41,-49.1,;24.74,-48.33,;26.07,-49.11,;26.07,-50.65,;24.73,-51.41,;23.4,-50.63,;22.09,-51.39,;9.51,-52.44,;9.51,-50.9,;8.18,-50.12,;6.85,-50.89,;5.38,-50.41,;4.47,-51.66,;2.93,-51.66,;5.38,-52.92,;6.85,-52.44,;8.18,-53.2,)| Show InChI InChI=1S/C27H34N4O2S/c1-2-12-31(22-9-10-23-24(15-22)34-26(28)30-23)13-11-27(33)16-21(17-27)29-25(32)20-8-7-18-5-3-4-6-19(18)14-20/h3-8,14,21-22,33H,2,9-13,15-17H2,1H3,(H2,28,30)(H,29,32)/t21-,22-,27-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	205	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Neurological Disorders and Stroke Curated by ChEMBL					Assay Description Displacement of [3H]-Win35428 from human DAT expressed in stable HEK cell membranes after 90 mins by microbeta scintillation counting method				J Med Chem 63: 5526-5567 (2020) Article DOI: 10.1021/acs.jmedchem.0c00424 BindingDB Entry DOI: 10.7270/Q28D00QN
					More data for this Ligand-Target Pair
Histamine H2 receptor (Homo sapiens (Human))	BDBM50400511 (CHEMBL2203406) Show SMILES CCCN(CC[C@]1(O)C[C@@H](C1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:6.5,9.11,wD:24.26,6.6,(12.17,-57.06,;12.17,-55.52,;10.84,-54.75,;10.84,-53.21,;12.18,-52.44,;13.51,-53.21,;14.85,-52.45,;14.83,-53.98,;16.33,-52.85,;16.73,-51.37,;15.24,-50.96,;18.07,-50.6,;19.4,-51.38,;19.39,-52.92,;20.77,-50.64,;20.76,-49.1,;22.08,-48.34,;23.41,-49.1,;24.74,-48.33,;26.07,-49.11,;26.07,-50.65,;24.73,-51.41,;23.4,-50.63,;22.09,-51.39,;9.51,-52.44,;9.51,-50.9,;8.18,-50.12,;6.85,-50.89,;5.38,-50.41,;4.47,-51.66,;2.93,-51.66,;5.38,-52.92,;6.85,-52.44,;8.18,-53.2,)| Show InChI InChI=1S/C27H34N4O2S/c1-2-12-31(22-9-10-23-24(15-22)34-26(28)30-23)13-11-27(33)16-21(17-27)29-25(32)20-8-7-18-5-3-4-6-19(18)14-20/h3-8,14,21-22,33H,2,9-13,15-17H2,1H3,(H2,28,30)(H,29,32)/t21-,22-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	224	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Neurological Disorders and Stroke Curated by ChEMBL					Assay Description Displacement of [125I]-Iodo-aminopotentidine from human histamine H2 receptor expressed in stable HEK cell membranes after 90 mins by microbeta scint...				J Med Chem 63: 5526-5567 (2020) Article DOI: 10.1021/acs.jmedchem.0c00424 BindingDB Entry DOI: 10.7270/Q28D00QN
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50527972 (CHEMBL4476784 | US11634404, Compound 1) Show SMILES COc1ccc(OCCN2CCN(CC2)C(=O)c2cc3ccccc3[nH]2)cc1 Show InChI InChI=1S/C22H25N3O3/c1-27-18-6-8-19(9-7-18)28-15-14-24-10-12-25(13-11-24)22(26)21-16-17-4-2-3-5-20(17)23-21/h2-9,16,23H,10-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Neurological Disorders and Stroke Curated by ChEMBL					Assay Description Displacement of [3H]-methylspiperon from human D3R expressed in HEK293 cell membranes measured after 90 mins in Tris buffer by topcount assay				J Med Chem 63: 5526-5567 (2020) Article DOI: 10.1021/acs.jmedchem.0c00424 BindingDB Entry DOI: 10.7270/Q28D00QN
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50527972 (CHEMBL4476784 | US11634404, Compound 1) Show SMILES COc1ccc(OCCN2CCN(CC2)C(=O)c2cc3ccccc3[nH]2)cc1 Show InChI InChI=1S/C22H25N3O3/c1-27-18-6-8-19(9-7-18)28-15-14-24-10-12-25(13-11-24)22(26)21-16-17-4-2-3-5-20(17)23-21/h2-9,16,23H,10-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	383	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Neurological Disorders and Stroke Curated by ChEMBL					Assay Description Displacement of [3H]-pentazocine from sigma1 receptor (unknown origin) after 90 mins by microbeta scintillation counting method				J Med Chem 63: 5526-5567 (2020) Article DOI: 10.1021/acs.jmedchem.0c00424 BindingDB Entry DOI: 10.7270/Q28D00QN
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50400511 (CHEMBL2203406) Show SMILES CCCN(CC[C@]1(O)C[C@@H](C1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:6.5,9.11,wD:24.26,6.6,(12.17,-57.06,;12.17,-55.52,;10.84,-54.75,;10.84,-53.21,;12.18,-52.44,;13.51,-53.21,;14.85,-52.45,;14.83,-53.98,;16.33,-52.85,;16.73,-51.37,;15.24,-50.96,;18.07,-50.6,;19.4,-51.38,;19.39,-52.92,;20.77,-50.64,;20.76,-49.1,;22.08,-48.34,;23.41,-49.1,;24.74,-48.33,;26.07,-49.11,;26.07,-50.65,;24.73,-51.41,;23.4,-50.63,;22.09,-51.39,;9.51,-52.44,;9.51,-50.9,;8.18,-50.12,;6.85,-50.89,;5.38,-50.41,;4.47,-51.66,;2.93,-51.66,;5.38,-52.92,;6.85,-52.44,;8.18,-53.2,)| Show InChI InChI=1S/C27H34N4O2S/c1-2-12-31(22-9-10-23-24(15-22)34-26(28)30-23)13-11-27(33)16-21(17-27)29-25(32)20-8-7-18-5-3-4-6-19(18)14-20/h3-8,14,21-22,33H,2,9-13,15-17H2,1H3,(H2,28,30)(H,29,32)/t21-,22-,27-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	436	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Neurological Disorders and Stroke Curated by ChEMBL					Assay Description Displacement of [3H]-Nisoxetine from human NET receptor expressed in stable HEK cell membranes after 90 mins by microbeta scintillation counting meth...				J Med Chem 63: 5526-5567 (2020) Article DOI: 10.1021/acs.jmedchem.0c00424 BindingDB Entry DOI: 10.7270/Q28D00QN
					More data for this Ligand-Target Pair
Tissue alpha-L-fucosidase (Bos taurus)	BDBM50369362 (CHEMBL1169500) Show SMILES OC[C@H]1N[C@H](CO)[C@H](O)C(O)[C@H]1O |r| Show InChI InChI=1S/C7H15NO5/c9-1-3-5(11)7(13)6(12)4(2-10)8-3/h3-13H,1-2H2/t3-,4-,5+,6+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Toyama Medical and Pharmaceutical University Curated by ChEMBL					Assay Description Ki value against bovine alpha-L-fucosidase				J Med Chem 48: 2036-44 (2005) Article DOI: 10.1021/jm0495881 BindingDB Entry DOI: 10.7270/Q2DF6S0M
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50400511 (CHEMBL2203406) Show SMILES CCCN(CC[C@]1(O)C[C@@H](C1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:6.5,9.11,wD:24.26,6.6,(12.17,-57.06,;12.17,-55.52,;10.84,-54.75,;10.84,-53.21,;12.18,-52.44,;13.51,-53.21,;14.85,-52.45,;14.83,-53.98,;16.33,-52.85,;16.73,-51.37,;15.24,-50.96,;18.07,-50.6,;19.4,-51.38,;19.39,-52.92,;20.77,-50.64,;20.76,-49.1,;22.08,-48.34,;23.41,-49.1,;24.74,-48.33,;26.07,-49.11,;26.07,-50.65,;24.73,-51.41,;23.4,-50.63,;22.09,-51.39,;9.51,-52.44,;9.51,-50.9,;8.18,-50.12,;6.85,-50.89,;5.38,-50.41,;4.47,-51.66,;2.93,-51.66,;5.38,-52.92,;6.85,-52.44,;8.18,-53.2,)| Show InChI InChI=1S/C27H34N4O2S/c1-2-12-31(22-9-10-23-24(15-22)34-26(28)30-23)13-11-27(33)16-21(17-27)29-25(32)20-8-7-18-5-3-4-6-19(18)14-20/h3-8,14,21-22,33H,2,9-13,15-17H2,1H3,(H2,28,30)(H,29,32)/t21-,22-,27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	531	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Neurological Disorders and Stroke Curated by ChEMBL					Assay Description Displacement of [3H]-pentazocine from sigma1 receptor (unknown origin) after 90 mins by microbeta scintillation counting method				J Med Chem 63: 5526-5567 (2020) Article DOI: 10.1021/acs.jmedchem.0c00424 BindingDB Entry DOI: 10.7270/Q28D00QN
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50400511 (CHEMBL2203406) Show SMILES CCCN(CC[C@]1(O)C[C@@H](C1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:6.5,9.11,wD:24.26,6.6,(12.17,-57.06,;12.17,-55.52,;10.84,-54.75,;10.84,-53.21,;12.18,-52.44,;13.51,-53.21,;14.85,-52.45,;14.83,-53.98,;16.33,-52.85,;16.73,-51.37,;15.24,-50.96,;18.07,-50.6,;19.4,-51.38,;19.39,-52.92,;20.77,-50.64,;20.76,-49.1,;22.08,-48.34,;23.41,-49.1,;24.74,-48.33,;26.07,-49.11,;26.07,-50.65,;24.73,-51.41,;23.4,-50.63,;22.09,-51.39,;9.51,-52.44,;9.51,-50.9,;8.18,-50.12,;6.85,-50.89,;5.38,-50.41,;4.47,-51.66,;2.93,-51.66,;5.38,-52.92,;6.85,-52.44,;8.18,-53.2,)| Show InChI InChI=1S/C27H34N4O2S/c1-2-12-31(22-9-10-23-24(15-22)34-26(28)30-23)13-11-27(33)16-21(17-27)29-25(32)20-8-7-18-5-3-4-6-19(18)14-20/h3-8,14,21-22,33H,2,9-13,15-17H2,1H3,(H2,28,30)(H,29,32)/t21-,22-,27-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	666	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Neurological Disorders and Stroke Curated by ChEMBL					Assay Description Displacement of [3H]-prazosin from recombinant human alpha1B adrenergic receptor transiently expressed in HEKT cell membranes measured after 90 mins ...				J Med Chem 63: 5526-5567 (2020) Article DOI: 10.1021/acs.jmedchem.0c00424 BindingDB Entry DOI: 10.7270/Q28D00QN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50527972 (CHEMBL4476784 | US11634404, Compound 1) Show SMILES COc1ccc(OCCN2CCN(CC2)C(=O)c2cc3ccccc3[nH]2)cc1 Show InChI InChI=1S/C22H25N3O3/c1-27-18-6-8-19(9-7-18)28-15-14-24-10-12-25(13-11-24)22(26)21-16-17-4-2-3-5-20(17)23-21/h2-9,16,23H,10-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	674	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Neurological Disorders and Stroke Curated by ChEMBL					Assay Description Displacement of [3H]-LSD from recombinant human 5HT2B receptor stably expressed in HEK cell membranes measured after 90 mins by microbeta scintillati...				J Med Chem 63: 5526-5567 (2020) Article DOI: 10.1021/acs.jmedchem.0c00424 BindingDB Entry DOI: 10.7270/Q28D00QN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50400511 (CHEMBL2203406) Show SMILES CCCN(CC[C@]1(O)C[C@@H](C1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:6.5,9.11,wD:24.26,6.6,(12.17,-57.06,;12.17,-55.52,;10.84,-54.75,;10.84,-53.21,;12.18,-52.44,;13.51,-53.21,;14.85,-52.45,;14.83,-53.98,;16.33,-52.85,;16.73,-51.37,;15.24,-50.96,;18.07,-50.6,;19.4,-51.38,;19.39,-52.92,;20.77,-50.64,;20.76,-49.1,;22.08,-48.34,;23.41,-49.1,;24.74,-48.33,;26.07,-49.11,;26.07,-50.65,;24.73,-51.41,;23.4,-50.63,;22.09,-51.39,;9.51,-52.44,;9.51,-50.9,;8.18,-50.12,;6.85,-50.89,;5.38,-50.41,;4.47,-51.66,;2.93,-51.66,;5.38,-52.92,;6.85,-52.44,;8.18,-53.2,)| Show InChI InChI=1S/C27H34N4O2S/c1-2-12-31(22-9-10-23-24(15-22)34-26(28)30-23)13-11-27(33)16-21(17-27)29-25(32)20-8-7-18-5-3-4-6-19(18)14-20/h3-8,14,21-22,33H,2,9-13,15-17H2,1H3,(H2,28,30)(H,29,32)/t21-,22-,27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	708	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Neurological Disorders and Stroke Curated by ChEMBL					Assay Description Displacement of [3H]-Way100635 from recombinant human 5HT1A receptor stably expressed in CHO cell membranes measured after 90 mins by microbeta scint...				J Med Chem 63: 5526-5567 (2020) Article DOI: 10.1021/acs.jmedchem.0c00424 BindingDB Entry DOI: 10.7270/Q28D00QN
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50527972 (CHEMBL4476784 | US11634404, Compound 1) Show SMILES COc1ccc(OCCN2CCN(CC2)C(=O)c2cc3ccccc3[nH]2)cc1 Show InChI InChI=1S/C22H25N3O3/c1-27-18-6-8-19(9-7-18)28-15-14-24-10-12-25(13-11-24)22(26)21-16-17-4-2-3-5-20(17)23-21/h2-9,16,23H,10-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Neurological Disorders and Stroke Curated by ChEMBL					Assay Description Displacement of [3H]-7-OH-DPAT from human D3R expressed in HEK293 cell membranes measured after 90 mins in EBSS buffer by topcount assay				J Med Chem 63: 5526-5567 (2020) Article DOI: 10.1021/acs.jmedchem.0c00424 BindingDB Entry DOI: 10.7270/Q28D00QN
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50116766 ((-)-Pramipexole | (6S)-N(6)-propyl-4,5,6,7-tetrahy...) Show SMILES CCCN[C@H]1CCc2nc(N)sc2C1 |r| Show InChI InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)/t7-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	744	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Neurological Disorders and Stroke Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from recombinant human D2 receptor stably expressed in fibroblast cell membranes measured after 90 mins by mic...				J Med Chem 63: 5526-5567 (2020) Article DOI: 10.1021/acs.jmedchem.0c00424 BindingDB Entry DOI: 10.7270/Q28D00QN
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50400511 (CHEMBL2203406) Show SMILES CCCN(CC[C@]1(O)C[C@@H](C1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:6.5,9.11,wD:24.26,6.6,(12.17,-57.06,;12.17,-55.52,;10.84,-54.75,;10.84,-53.21,;12.18,-52.44,;13.51,-53.21,;14.85,-52.45,;14.83,-53.98,;16.33,-52.85,;16.73,-51.37,;15.24,-50.96,;18.07,-50.6,;19.4,-51.38,;19.39,-52.92,;20.77,-50.64,;20.76,-49.1,;22.08,-48.34,;23.41,-49.1,;24.74,-48.33,;26.07,-49.11,;26.07,-50.65,;24.73,-51.41,;23.4,-50.63,;22.09,-51.39,;9.51,-52.44,;9.51,-50.9,;8.18,-50.12,;6.85,-50.89,;5.38,-50.41,;4.47,-51.66,;2.93,-51.66,;5.38,-52.92,;6.85,-52.44,;8.18,-53.2,)| Show InChI InChI=1S/C27H34N4O2S/c1-2-12-31(22-9-10-23-24(15-22)34-26(28)30-23)13-11-27(33)16-21(17-27)29-25(32)20-8-7-18-5-3-4-6-19(18)14-20/h3-8,14,21-22,33H,2,9-13,15-17H2,1H3,(H2,28,30)(H,29,32)/t21-,22-,27-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	745	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Neurological Disorders and Stroke Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from recombinant human MOR stably expressed in HEK cell membranes measured after 90 mins by microbeta scintillation counti...				J Med Chem 63: 5526-5567 (2020) Article DOI: 10.1021/acs.jmedchem.0c00424 BindingDB Entry DOI: 10.7270/Q28D00QN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50400511 (CHEMBL2203406) Show SMILES CCCN(CC[C@]1(O)C[C@@H](C1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:6.5,9.11,wD:24.26,6.6,(12.17,-57.06,;12.17,-55.52,;10.84,-54.75,;10.84,-53.21,;12.18,-52.44,;13.51,-53.21,;14.85,-52.45,;14.83,-53.98,;16.33,-52.85,;16.73,-51.37,;15.24,-50.96,;18.07,-50.6,;19.4,-51.38,;19.39,-52.92,;20.77,-50.64,;20.76,-49.1,;22.08,-48.34,;23.41,-49.1,;24.74,-48.33,;26.07,-49.11,;26.07,-50.65,;24.73,-51.41,;23.4,-50.63,;22.09,-51.39,;9.51,-52.44,;9.51,-50.9,;8.18,-50.12,;6.85,-50.89,;5.38,-50.41,;4.47,-51.66,;2.93,-51.66,;5.38,-52.92,;6.85,-52.44,;8.18,-53.2,)| Show InChI InChI=1S/C27H34N4O2S/c1-2-12-31(22-9-10-23-24(15-22)34-26(28)30-23)13-11-27(33)16-21(17-27)29-25(32)20-8-7-18-5-3-4-6-19(18)14-20/h3-8,14,21-22,33H,2,9-13,15-17H2,1H3,(H2,28,30)(H,29,32)/t21-,22-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	762	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Neurological Disorders and Stroke Curated by ChEMBL					Assay Description Displacement of [3H]-Mesulergine from recombinant human 5HT2C receptor expressed in HEK cell membranes measured after 90 mins by microbeta scintillat...				J Med Chem 63: 5526-5567 (2020) Article DOI: 10.1021/acs.jmedchem.0c00424 BindingDB Entry DOI: 10.7270/Q28D00QN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50400511 (CHEMBL2203406) Show SMILES CCCN(CC[C@]1(O)C[C@@H](C1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:6.5,9.11,wD:24.26,6.6,(12.17,-57.06,;12.17,-55.52,;10.84,-54.75,;10.84,-53.21,;12.18,-52.44,;13.51,-53.21,;14.85,-52.45,;14.83,-53.98,;16.33,-52.85,;16.73,-51.37,;15.24,-50.96,;18.07,-50.6,;19.4,-51.38,;19.39,-52.92,;20.77,-50.64,;20.76,-49.1,;22.08,-48.34,;23.41,-49.1,;24.74,-48.33,;26.07,-49.11,;26.07,-50.65,;24.73,-51.41,;23.4,-50.63,;22.09,-51.39,;9.51,-52.44,;9.51,-50.9,;8.18,-50.12,;6.85,-50.89,;5.38,-50.41,;4.47,-51.66,;2.93,-51.66,;5.38,-52.92,;6.85,-52.44,;8.18,-53.2,)| Show InChI InChI=1S/C27H34N4O2S/c1-2-12-31(22-9-10-23-24(15-22)34-26(28)30-23)13-11-27(33)16-21(17-27)29-25(32)20-8-7-18-5-3-4-6-19(18)14-20/h3-8,14,21-22,33H,2,9-13,15-17H2,1H3,(H2,28,30)(H,29,32)/t21-,22-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Neurological Disorders and Stroke Curated by ChEMBL					Assay Description Displacement of [3H]-LSD from recombinant human 5HT7A receptor stably expressed in HEK cell membranes measured after 90 mins by microbeta scintillati...				J Med Chem 63: 5526-5567 (2020) Article DOI: 10.1021/acs.jmedchem.0c00424 BindingDB Entry DOI: 10.7270/Q28D00QN
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50400511 (CHEMBL2203406) Show SMILES CCCN(CC[C@]1(O)C[C@@H](C1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:6.5,9.11,wD:24.26,6.6,(12.17,-57.06,;12.17,-55.52,;10.84,-54.75,;10.84,-53.21,;12.18,-52.44,;13.51,-53.21,;14.85,-52.45,;14.83,-53.98,;16.33,-52.85,;16.73,-51.37,;15.24,-50.96,;18.07,-50.6,;19.4,-51.38,;19.39,-52.92,;20.77,-50.64,;20.76,-49.1,;22.08,-48.34,;23.41,-49.1,;24.74,-48.33,;26.07,-49.11,;26.07,-50.65,;24.73,-51.41,;23.4,-50.63,;22.09,-51.39,;9.51,-52.44,;9.51,-50.9,;8.18,-50.12,;6.85,-50.89,;5.38,-50.41,;4.47,-51.66,;2.93,-51.66,;5.38,-52.92,;6.85,-52.44,;8.18,-53.2,)| Show InChI InChI=1S/C27H34N4O2S/c1-2-12-31(22-9-10-23-24(15-22)34-26(28)30-23)13-11-27(33)16-21(17-27)29-25(32)20-8-7-18-5-3-4-6-19(18)14-20/h3-8,14,21-22,33H,2,9-13,15-17H2,1H3,(H2,28,30)(H,29,32)/t21-,22-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	893	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Neurological Disorders and Stroke Curated by ChEMBL					Assay Description Displacement of [3H]-alpha-methylhistamine from recombinant human histamine H3 receptor expressed in HEK Flp-In cell membranes measured after 90 mins...				J Med Chem 63: 5526-5567 (2020) Article DOI: 10.1021/acs.jmedchem.0c00424 BindingDB Entry DOI: 10.7270/Q28D00QN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50400511 (CHEMBL2203406) Show SMILES CCCN(CC[C@]1(O)C[C@@H](C1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:6.5,9.11,wD:24.26,6.6,(12.17,-57.06,;12.17,-55.52,;10.84,-54.75,;10.84,-53.21,;12.18,-52.44,;13.51,-53.21,;14.85,-52.45,;14.83,-53.98,;16.33,-52.85,;16.73,-51.37,;15.24,-50.96,;18.07,-50.6,;19.4,-51.38,;19.39,-52.92,;20.77,-50.64,;20.76,-49.1,;22.08,-48.34,;23.41,-49.1,;24.74,-48.33,;26.07,-49.11,;26.07,-50.65,;24.73,-51.41,;23.4,-50.63,;22.09,-51.39,;9.51,-52.44,;9.51,-50.9,;8.18,-50.12,;6.85,-50.89,;5.38,-50.41,;4.47,-51.66,;2.93,-51.66,;5.38,-52.92,;6.85,-52.44,;8.18,-53.2,)| Show InChI InChI=1S/C27H34N4O2S/c1-2-12-31(22-9-10-23-24(15-22)34-26(28)30-23)13-11-27(33)16-21(17-27)29-25(32)20-8-7-18-5-3-4-6-19(18)14-20/h3-8,14,21-22,33H,2,9-13,15-17H2,1H3,(H2,28,30)(H,29,32)/t21-,22-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.18E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Neurological Disorders and Stroke Curated by ChEMBL					Assay Description Displacement of [3H]-LSD from recombinant human 5HT2B receptor stably expressed in HEK cell membranes measured after 90 mins by microbeta scintillati...				J Med Chem 63: 5526-5567 (2020) Article DOI: 10.1021/acs.jmedchem.0c00424 BindingDB Entry DOI: 10.7270/Q28D00QN
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50400511 (CHEMBL2203406) Show SMILES CCCN(CC[C@]1(O)C[C@@H](C1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:6.5,9.11,wD:24.26,6.6,(12.17,-57.06,;12.17,-55.52,;10.84,-54.75,;10.84,-53.21,;12.18,-52.44,;13.51,-53.21,;14.85,-52.45,;14.83,-53.98,;16.33,-52.85,;16.73,-51.37,;15.24,-50.96,;18.07,-50.6,;19.4,-51.38,;19.39,-52.92,;20.77,-50.64,;20.76,-49.1,;22.08,-48.34,;23.41,-49.1,;24.74,-48.33,;26.07,-49.11,;26.07,-50.65,;24.73,-51.41,;23.4,-50.63,;22.09,-51.39,;9.51,-52.44,;9.51,-50.9,;8.18,-50.12,;6.85,-50.89,;5.38,-50.41,;4.47,-51.66,;2.93,-51.66,;5.38,-52.92,;6.85,-52.44,;8.18,-53.2,)| Show InChI InChI=1S/C27H34N4O2S/c1-2-12-31(22-9-10-23-24(15-22)34-26(28)30-23)13-11-27(33)16-21(17-27)29-25(32)20-8-7-18-5-3-4-6-19(18)14-20/h3-8,14,21-22,33H,2,9-13,15-17H2,1H3,(H2,28,30)(H,29,32)/t21-,22-,27-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.18E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Neurological Disorders and Stroke Curated by ChEMBL					Assay Description Displacement of [3H]-prazosin from recombinant human alpha1D adrenergic receptor measured after 90 mins by microbeta scintillation counting method				J Med Chem 63: 5526-5567 (2020) Article DOI: 10.1021/acs.jmedchem.0c00424 BindingDB Entry DOI: 10.7270/Q28D00QN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50116766 ((-)-Pramipexole | (6S)-N(6)-propyl-4,5,6,7-tetrahy...) Show SMILES CCCN[C@H]1CCc2nc(N)sc2C1 |r| Show InChI InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)/t7-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.19E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Neurological Disorders and Stroke Curated by ChEMBL					Assay Description Displacement of [3H]-LSD from recombinant human 5HT7A receptor stably expressed in HEK cell membranes measured after 90 mins by microbeta scintillati...				J Med Chem 63: 5526-5567 (2020) Article DOI: 10.1021/acs.jmedchem.0c00424 BindingDB Entry DOI: 10.7270/Q28D00QN
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50527972 (CHEMBL4476784 | US11634404, Compound 1) Show SMILES COc1ccc(OCCN2CCN(CC2)C(=O)c2cc3ccccc3[nH]2)cc1 Show InChI InChI=1S/C22H25N3O3/c1-27-18-6-8-19(9-7-18)28-15-14-24-10-12-25(13-11-24)22(26)21-16-17-4-2-3-5-20(17)23-21/h2-9,16,23H,10-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	1.24E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Neurological Disorders and Stroke Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from D3 receptor (unknown origin) measured after 90 mins by microbeta scintillation counting method				J Med Chem 63: 5526-5567 (2020) Article DOI: 10.1021/acs.jmedchem.0c00424 BindingDB Entry DOI: 10.7270/Q28D00QN
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50527972 (CHEMBL4476784 | US11634404, Compound 1) Show SMILES COc1ccc(OCCN2CCN(CC2)C(=O)c2cc3ccccc3[nH]2)cc1 Show InChI InChI=1S/C22H25N3O3/c1-27-18-6-8-19(9-7-18)28-15-14-24-10-12-25(13-11-24)22(26)21-16-17-4-2-3-5-20(17)23-21/h2-9,16,23H,10-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Neurological Disorders and Stroke Curated by ChEMBL					Assay Description Displacement of [3H]-methylspiperon from human D3R expressed in HEK293 cell membranes measured after 90 mins in Tris buffer containing NaCl by topcou...				J Med Chem 63: 5526-5567 (2020) Article DOI: 10.1021/acs.jmedchem.0c00424 BindingDB Entry DOI: 10.7270/Q28D00QN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50527972 (CHEMBL4476784 | US11634404, Compound 1) Show SMILES COc1ccc(OCCN2CCN(CC2)C(=O)c2cc3ccccc3[nH]2)cc1 Show InChI InChI=1S/C22H25N3O3/c1-27-18-6-8-19(9-7-18)28-15-14-24-10-12-25(13-11-24)22(26)21-16-17-4-2-3-5-20(17)23-21/h2-9,16,23H,10-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	2.11E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Neurological Disorders and Stroke Curated by ChEMBL					Assay Description Displacement of [3H]-Way100635 from recombinant human 5HT1A receptor stably expressed in CHO cell membranes measured after 90 mins by microbeta scint...				J Med Chem 63: 5526-5567 (2020) Article DOI: 10.1021/acs.jmedchem.0c00424 BindingDB Entry DOI: 10.7270/Q28D00QN
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50400511 (CHEMBL2203406) Show SMILES CCCN(CC[C@]1(O)C[C@@H](C1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:6.5,9.11,wD:24.26,6.6,(12.17,-57.06,;12.17,-55.52,;10.84,-54.75,;10.84,-53.21,;12.18,-52.44,;13.51,-53.21,;14.85,-52.45,;14.83,-53.98,;16.33,-52.85,;16.73,-51.37,;15.24,-50.96,;18.07,-50.6,;19.4,-51.38,;19.39,-52.92,;20.77,-50.64,;20.76,-49.1,;22.08,-48.34,;23.41,-49.1,;24.74,-48.33,;26.07,-49.11,;26.07,-50.65,;24.73,-51.41,;23.4,-50.63,;22.09,-51.39,;9.51,-52.44,;9.51,-50.9,;8.18,-50.12,;6.85,-50.89,;5.38,-50.41,;4.47,-51.66,;2.93,-51.66,;5.38,-52.92,;6.85,-52.44,;8.18,-53.2,)| Show InChI InChI=1S/C27H34N4O2S/c1-2-12-31(22-9-10-23-24(15-22)34-26(28)30-23)13-11-27(33)16-21(17-27)29-25(32)20-8-7-18-5-3-4-6-19(18)14-20/h3-8,14,21-22,33H,2,9-13,15-17H2,1H3,(H2,28,30)(H,29,32)/t21-,22-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.28E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Neurological Disorders and Stroke Curated by ChEMBL					Assay Description Displacement of [3H]-QNB/[3H]-NMS from human muscarinic M4 receptor expressed in stable CHO cell membranes after 90 mins by microbeta scintillation c...				J Med Chem 63: 5526-5567 (2020) Article DOI: 10.1021/acs.jmedchem.0c00424 BindingDB Entry DOI: 10.7270/Q28D00QN
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M5 (Homo sapiens (Human))	BDBM50400511 (CHEMBL2203406) Show SMILES CCCN(CC[C@]1(O)C[C@@H](C1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:6.5,9.11,wD:24.26,6.6,(12.17,-57.06,;12.17,-55.52,;10.84,-54.75,;10.84,-53.21,;12.18,-52.44,;13.51,-53.21,;14.85,-52.45,;14.83,-53.98,;16.33,-52.85,;16.73,-51.37,;15.24,-50.96,;18.07,-50.6,;19.4,-51.38,;19.39,-52.92,;20.77,-50.64,;20.76,-49.1,;22.08,-48.34,;23.41,-49.1,;24.74,-48.33,;26.07,-49.11,;26.07,-50.65,;24.73,-51.41,;23.4,-50.63,;22.09,-51.39,;9.51,-52.44,;9.51,-50.9,;8.18,-50.12,;6.85,-50.89,;5.38,-50.41,;4.47,-51.66,;2.93,-51.66,;5.38,-52.92,;6.85,-52.44,;8.18,-53.2,)| Show InChI InChI=1S/C27H34N4O2S/c1-2-12-31(22-9-10-23-24(15-22)34-26(28)30-23)13-11-27(33)16-21(17-27)29-25(32)20-8-7-18-5-3-4-6-19(18)14-20/h3-8,14,21-22,33H,2,9-13,15-17H2,1H3,(H2,28,30)(H,29,32)/t21-,22-,27-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Neurological Disorders and Stroke Curated by ChEMBL					Assay Description Displacement of [3H]-QNB/[3H]-NMS from human muscarinic M5 receptor expressed in stable CHO cell membranes after 90 mins by microbeta scintillation c...				J Med Chem 63: 5526-5567 (2020) Article DOI: 10.1021/acs.jmedchem.0c00424 BindingDB Entry DOI: 10.7270/Q28D00QN
					More data for this Ligand-Target Pair
Histamine H2 receptor (Homo sapiens (Human))	BDBM50116766 ((-)-Pramipexole | (6S)-N(6)-propyl-4,5,6,7-tetrahy...) Show SMILES CCCN[C@H]1CCc2nc(N)sc2C1 |r| Show InChI InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)/t7-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.68E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Neurological Disorders and Stroke Curated by ChEMBL					Assay Description Displacement of [125I]-Iodo-aminopotentidine from human histamine H2 receptor expressed in stable HEK cell membranes after 90 mins by microbeta scint...				J Med Chem 63: 5526-5567 (2020) Article DOI: 10.1021/acs.jmedchem.0c00424 BindingDB Entry DOI: 10.7270/Q28D00QN
					More data for this Ligand-Target Pair

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