Compile Data Set for Download or QSAR

Found 1211 hits with Last Name = 'kuno' and Initial = 'm'   

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
Transporter (Rattus norvegicus (rat))	BDBM364425 (US10913711, Compound 10d | US11555013, Compound 10...) Show SMILES CC(O)CN1CCN(CCS(=O)C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C22H28F2N2O2S/c1-17(27)16-26-12-10-25(11-13-26)14-15-29(28)22(18-2-6-20(23)7-3-18)19-4-8-21(24)9-5-19/h2-9,17,22,27H,10-16H2,1H3	PDB Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	MCE PC cid PC sid UniChem	US Patent	>0	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Norepinephrine Transporter Binding Assay. Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, fron...				Citation and Details BindingDB Entry DOI: 10.7270/Q2ST7TRG
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM364427 (US10913711, Compound 10a | US11555013, Compound 10...) Show SMILES CC(O)CN1CCN(CCS(=O)C(c2ccccc2)c2ccccc2)CC1 Show InChI InChI=1S/C22H30N2O2S/c1-19(25)18-24-14-12-23(13-15-24)16-17-27(26)22(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,19,22,25H,12-18H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>0	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Serotonin Transporter Binding Assay. Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, midbrain ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2ST7TRG
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM364427 (US10913711, Compound 10a | US11555013, Compound 10...) Show SMILES CC(O)CN1CCN(CCS(=O)C(c2ccccc2)c2ccccc2)CC1 Show InChI InChI=1S/C22H30N2O2S/c1-19(25)18-24-14-12-23(13-15-24)16-17-27(26)22(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,19,22,25H,12-18H2,1H3	PDB Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>0	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Norepinephrine Transporter Binding Assay. Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, fron...				Citation and Details BindingDB Entry DOI: 10.7270/Q2ST7TRG
					More data for this Ligand-Target Pair
Adenosine deaminase (Homo sapiens (Human))	BDBM22925 ((8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxol...) Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2[C@H](O)CNC=Nc12 |c:17| Show InChI InChI=1S/C11H16N4O4/c16-3-8-6(17)1-9(19-8)15-5-14-10-7(18)2-12-4-13-11(10)15/h4-9,16-18H,1-3H2,(H,12,13)/t6-,7+,8+,9+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.0330	-59.2	n/a	n/a	n/a	n/a	n/a	7.4	22
Fujisawa Pharmaceutical Co., Ltd.					Assay Description The reaction velocity was measured by change in absorbance at 265nm (A265) resulting from the deamination of adenosine. The reaction was started by a...				Bioorg Med Chem Lett 13: 1115-8 (2003) Article DOI: 10.1016/S0960-894X(03)00026-X BindingDB Entry DOI: 10.7270/Q29Z936D
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50097834 (CHEMBL3589652) Show SMILES OC(CCNC(=O)c1ccc2Cc3ccccc3-c2c1)CN1CCN(CC1)c1cccc(Cl)c1Cl Show InChI InChI=1S/C28H29Cl2N3O2/c29-25-6-3-7-26(27(25)30)33-14-12-32(13-15-33)18-22(34)10-11-31-28(35)21-9-8-20-16-19-4-1-2-5-23(19)24(20)17-21/h1-9,17,22,34H,10-16,18H2,(H,31,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.233	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation counting...				Bioorg Med Chem 23: 4000-12 (2015) Article DOI: 10.1016/j.bmc.2015.01.017 BindingDB Entry DOI: 10.7270/Q2BV7JCJ
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50244722 (CHEMBL4075976) Show SMILES CN1c2ccccc2OC[C@H](N2CCc3c(Cl)n(Cc4ccccc4)nc3C2=O)C1=O |r| Show InChI InChI=1S/C23H21ClN4O3/c1-26-17-9-5-6-10-19(17)31-14-18(22(26)29)27-12-11-16-20(23(27)30)25-28(21(16)24)13-15-7-3-2-4-8-15/h2-10,18H,11-14H2,1H3/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.407	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of fluorescent-labeled 3-(3-((3-(4-amino-5-(4-(3-(2-fluoro-5-(trifluoromethyl)phenyl)ureido)-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)propy...				J Med Chem 61: 2384-2409 (2018) Article DOI: 10.1021/acs.jmedchem.7b01647 BindingDB Entry DOI: 10.7270/Q2V98BGX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM21392 (3-(2-aminoethyl)-1H-indole-5-carboxamide | 5-CT | ...) Show SMILES NCCc1c[nH]c2ccc(cc12)C(N)=O Show InChI InChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha Ltd. Curated by ChEMBL					Assay Description Binding affinity to human recombinant 5-hydroxytryptamine 7 receptor in mammalian cells using [3H]5-CT as radioligand				J Med Chem 45: 2197-206 (2002) Article DOI: 10.1021/jm0104264 BindingDB Entry DOI: 10.7270/Q2S46VRM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50244729 (CHEMBL4061975) Show SMILES CN1c2cc(ccc2OC[C@H](N2CCc3c(Cl)n(Cc4ccccc4)nc3C2=O)C1=O)C#N |r| Show InChI InChI=1S/C24H20ClN5O3/c1-28-18-11-16(12-26)7-8-20(18)33-14-19(23(28)31)29-10-9-17-21(24(29)32)27-30(22(17)25)13-15-5-3-2-4-6-15/h2-8,11,19H,9-10,13-14H2,1H3/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.851	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of fluorescent-labeled 3-(3-((3-(4-amino-5-(4-(3-(2-fluoro-5-(trifluoromethyl)phenyl)ureido)-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)propy...				J Med Chem 61: 2384-2409 (2018) Article DOI: 10.1021/acs.jmedchem.7b01647 BindingDB Entry DOI: 10.7270/Q2V98BGX
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50244721 (CHEMBL4100398) Show SMILES CN1c2ccc(cc2OC[C@H](N2CCc3c(Cl)n(Cc4ccccc4)nc3C2=O)C1=O)C#N |r| Show InChI InChI=1S/C24H20ClN5O3/c1-28-18-8-7-16(12-26)11-20(18)33-14-19(23(28)31)29-10-9-17-21(24(29)32)27-30(22(17)25)13-15-5-3-2-4-6-15/h2-8,11,19H,9-10,13-14H2,1H3/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.912	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of fluorescent-labeled 3-(3-((3-(4-amino-5-(4-(3-(2-fluoro-5-(trifluoromethyl)phenyl)ureido)-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)propy...				J Med Chem 61: 2384-2409 (2018) Article DOI: 10.1021/acs.jmedchem.7b01647 BindingDB Entry DOI: 10.7270/Q2V98BGX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50244730 (CHEMBL4069537) Show SMILES CNC(=O)c1ccc2N(C)C(=O)[C@H](COc2c1)N1CCc2c(Cl)n(Cc3ccccc3)nc2C1=O |r| Show InChI InChI=1S/C25H24ClN5O4/c1-27-23(32)16-8-9-18-20(12-16)35-14-19(24(33)29(18)2)30-11-10-17-21(25(30)34)28-31(22(17)26)13-15-6-4-3-5-7-15/h3-9,12,19H,10-11,13-14H2,1-2H3,(H,27,32)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.912	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of fluorescent-labeled 3-(3-((3-(4-amino-5-(4-(3-(2-fluoro-5-(trifluoromethyl)phenyl)ureido)-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)propy...				J Med Chem 61: 2384-2409 (2018) Article DOI: 10.1021/acs.jmedchem.7b01647 BindingDB Entry DOI: 10.7270/Q2V98BGX
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50199806 (CHEMBL3944169 | US10913711, Compound 9a | US115550...) Show SMILES CC(O)CN1CCN(CCSC(c2ccccc2)c2ccccc2)CC1 Show InChI InChI=1S/C22H30N2OS/c1-19(25)18-24-14-12-23(13-15-24)16-17-26-22(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,19,22,25H,12-18H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	0.940	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description The uptake assays were carried out 2 days after transfection. Prior to the experiment, the cells were washed once in 500 ul of uptake buffer (25 mM 4...				J Med Chem 48: 7688-707 (2005) BindingDB Entry DOI: 10.7270/Q2PR7Z87
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50199806 (CHEMBL3944169 | US10913711, Compound 9a | US115550...) Show SMILES CC(O)CN1CCN(CCSC(c2ccccc2)c2ccccc2)CC1 Show InChI InChI=1S/C22H30N2OS/c1-19(25)18-24-14-12-23(13-15-24)16-17-26-22(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,19,22,25H,12-18H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	0.940	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES US Patent									US Patent US10913711 (2021) BindingDB Entry DOI: 10.7270/Q2F47S7B
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50233225 (CHEMBL4071864) Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2n[nH]c(Cc3ccccc3)n2)C1=O |r| Show InChI InChI=1S/C20H19N5O3/c1-25-15-9-5-6-10-16(15)28-12-14(20(25)27)21-19(26)18-22-17(23-24-18)11-13-7-3-2-4-8-13/h2-10,14H,11-12H2,1H3,(H,21,26)(H,22,23,24)/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.977	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of fluorescent-labeled 3-(3-((3-(4-amino-5-(4-(3-(2-fluoro-5-(trifluoromethyl)phenyl)ureido)-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)propy...				J Med Chem 61: 2384-2409 (2018) Article DOI: 10.1021/acs.jmedchem.7b01647 BindingDB Entry DOI: 10.7270/Q2V98BGX
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50097841 (CHEMBL3588919) Show SMILES Clc1cccc(N2CCN(CCCCc3cn(nn3)-c3ccc4[nH]ccc4c3)CC2)c1Cl Show InChI InChI=1S/C24H26Cl2N6/c25-21-5-3-6-23(24(21)26)31-14-12-30(13-15-31)11-2-1-4-19-17-32(29-28-19)20-7-8-22-18(16-20)9-10-27-22/h3,5-10,16-17,27H,1-2,4,11-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation counting...				Bioorg Med Chem 23: 4000-12 (2015) Article DOI: 10.1016/j.bmc.2015.01.017 BindingDB Entry DOI: 10.7270/Q2BV7JCJ
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50244763 (CHEMBL4082215) Show SMILES CN1c2ccccc2OC[C@H](N2CCc3cn(Cc4c(F)cccc4F)nc3C2=O)C1=O |r| Show InChI InChI=1S/C23H20F2N4O3/c1-27-18-7-2-3-8-20(18)32-13-19(22(27)30)29-10-9-14-11-28(26-21(14)23(29)31)12-15-16(24)5-4-6-17(15)25/h2-8,11,19H,9-10,12-13H2,1H3/t19-/m0/s1	PDB UniProtKB/SwissProt 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
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of fluorescent-labeled 3-(3-((3-(4-amino-5-(4-(3-(2-fluoro-5-(trifluoromethyl)phenyl)ureido)-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)propy...				J Med Chem 61: 2384-2409 (2018) Article DOI: 10.1021/acs.jmedchem.7b01647 BindingDB Entry DOI: 10.7270/Q2V98BGX
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50244765 (CHEMBL4084681) Show SMILES CN1c2ccccc2OC[C@H](N2CCc3c(nn(Cc4ccccc4)c3C#N)C2=O)C1=O |r| Show InChI InChI=1S/C24H21N5O3/c1-27-18-9-5-6-10-21(18)32-15-20(23(27)30)28-12-11-17-19(13-25)29(26-22(17)24(28)31)14-16-7-3-2-4-8-16/h2-10,20H,11-12,14-15H2,1H3/t20-/m0/s1	PDB UniProtKB/SwissProt 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
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of fluorescent-labeled 3-(3-((3-(4-amino-5-(4-(3-(2-fluoro-5-(trifluoromethyl)phenyl)ureido)-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)propy...				J Med Chem 61: 2384-2409 (2018) Article DOI: 10.1021/acs.jmedchem.7b01647 BindingDB Entry DOI: 10.7270/Q2V98BGX
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50097780 (CHEMBL3588987) Show SMILES Clc1cccc(N2CCN(CCCCn3cc(nn3)-c3ccc4ncccc4c3)CC2)c1Cl Show InChI InChI=1S/C31H36N6O/c1-31(2,30(38)33-18-16-23-19-34-26-12-7-6-11-25(23)26)28-21-37-20-24(15-14-22-9-4-3-5-10-22)35-27(13-8-17-32)29(37)36-28/h3-7,9-12,19-21,34H,8,13-18,32H2,1-2H3,(H,33,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation counting...				Bioorg Med Chem 23: 4000-12 (2015) Article DOI: 10.1016/j.bmc.2015.01.017 BindingDB Entry DOI: 10.7270/Q2BV7JCJ
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50097849 (CHEMBL3588986) Show SMILES Clc1cccc(N2CCN(CCCCn3cc(nn3)-c3ccc4[nH]ccc4c3)CC2)c1Cl Show InChI InChI=1S/C24H26Cl2N6/c25-20-4-3-5-23(24(20)26)31-14-12-30(13-15-31)10-1-2-11-32-17-22(28-29-32)18-6-7-21-19(16-18)8-9-27-21/h3-9,16-17,27H,1-2,10-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation counting...				Bioorg Med Chem 23: 4000-12 (2015) Article DOI: 10.1016/j.bmc.2015.01.017 BindingDB Entry DOI: 10.7270/Q2BV7JCJ
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50097836 (CHEMBL3588914) Show SMILES COc1ccccc1N1CCN(CCCCc2cn(nn2)-c2ccc-3c(Cc4ccccc-34)c2)CC1 Show InChI InChI=1S/C30H33N5O/c1-36-30-12-5-4-11-29(30)34-18-16-33(17-19-34)15-7-6-9-25-22-35(32-31-25)26-13-14-28-24(21-26)20-23-8-2-3-10-27(23)28/h2-5,8,10-14,21-22H,6-7,9,15-20H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation counting...				Bioorg Med Chem 23: 4000-12 (2015) Article DOI: 10.1016/j.bmc.2015.01.017 BindingDB Entry DOI: 10.7270/Q2BV7JCJ
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50244679 (CHEMBL4090975) Show SMILES CN1c2ccccc2OC[C@H](N2CCc3cn(Cc4ccccc4F)nc3C2=O)C1=O |r| Show InChI InChI=1S/C23H21FN4O3/c1-26-18-8-4-5-9-20(18)31-14-19(22(26)29)28-11-10-16-13-27(25-21(16)23(28)30)12-15-6-2-3-7-17(15)24/h2-9,13,19H,10-12,14H2,1H3/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of fluorescent-labeled 3-(3-((3-(4-amino-5-(4-(3-(2-fluoro-5-(trifluoromethyl)phenyl)ureido)-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)propy...				J Med Chem 61: 2384-2409 (2018) Article DOI: 10.1021/acs.jmedchem.7b01647 BindingDB Entry DOI: 10.7270/Q2V98BGX
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50244761 (CHEMBL4075705) Show SMILES CN1c2ccc(cc2OC[C@H](N2CCc3cn(Cc4c(F)cccc4F)nc3C2=O)C1=O)C#N |r| Show InChI InChI=1S/C24H19F2N5O3/c1-29-19-6-5-14(10-27)9-21(19)34-13-20(23(29)32)31-8-7-15-11-30(28-22(15)24(31)33)12-16-17(25)3-2-4-18(16)26/h2-6,9,11,20H,7-8,12-13H2,1H3/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of fluorescent-labeled 3-(3-((3-(4-amino-5-(4-(3-(2-fluoro-5-(trifluoromethyl)phenyl)ureido)-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)propy...				J Med Chem 61: 2384-2409 (2018) Article DOI: 10.1021/acs.jmedchem.7b01647 BindingDB Entry DOI: 10.7270/Q2V98BGX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50403759 (CHEMBL428494) Show SMILES O=C1Nc2cccc3CCCC1(CCCCN1CCN(CC1)c1ccccn1)c23 Show InChI InChI=1S/C24H30N4O/c29-23-24(12-6-8-19-7-5-9-20(26-23)22(19)24)11-2-4-14-27-15-17-28(18-16-27)21-10-1-3-13-25-21/h1,3,5,7,9-10,13H,2,4,6,8,11-12,14-18H2,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha Ltd. Curated by ChEMBL					Assay Description Binding affinity to human recombinant 5-hydroxytryptamine 7 receptor in mammalian cells using [3H]5-CT as radioligand				J Med Chem 45: 2197-206 (2002) Article DOI: 10.1021/jm0104264 BindingDB Entry DOI: 10.7270/Q2S46VRM
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM123850 (US8748608, 34 | US8748608, 34 Enantiomer A | US874...) Show SMILES OC(CCNC(=O)c1cc2ccccc2[nH]1)CN1CCN(CC1)c1cccc(Cl)c1Cl Show InChI InChI=1S/C23H26Cl2N4O2/c24-18-5-3-7-21(22(18)25)29-12-10-28(11-13-29)15-17(30)8-9-26-23(31)20-14-16-4-1-2-6-19(16)27-20/h1-7,14,17,27,30H,8-13,15H2,(H,26,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation counting...				Bioorg Med Chem 23: 4000-12 (2015) Article DOI: 10.1016/j.bmc.2015.01.017 BindingDB Entry DOI: 10.7270/Q2BV7JCJ
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM15003 (3-(4-{4-aminofuro[2,3-d]pyrimidin-5-yl}phenyl)-1-[...) Show SMILES Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)c12 Show InChI InChI=1S/C20H13F4N5O2/c21-14-6-3-11(20(22,23)24)7-15(14)29-19(30)28-12-4-1-10(2-5-12)13-8-31-18-16(13)17(25)26-9-27-18/h1-9H,(H2,25,26,27)(H2,28,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of fluorescent-labeled 3-(3-((3-(4-amino-5-(4-(3-(2-fluoro-5-(trifluoromethyl)phenyl)ureido)-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)propy...				J Med Chem 61: 2384-2409 (2018) Article DOI: 10.1021/acs.jmedchem.7b01647 BindingDB Entry DOI: 10.7270/Q2V98BGX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50116963 (2a-(4-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)butyl)...) Show SMILES O=C1Nc2cccc3CCCC1(CCCCN1CCC(=CC1)c1ccccc1)c23 |c:20| Show InChI InChI=1S/C26H30N2O/c29-25-26(16-7-11-22-10-6-12-23(27-25)24(22)26)15-4-5-17-28-18-13-21(14-19-28)20-8-2-1-3-9-20/h1-3,6,8-10,12-13H,4-5,7,11,14-19H2,(H,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha Ltd. Curated by ChEMBL					Assay Description Binding affinity to human recombinant 5-hydroxytryptamine 7 receptor in mammalian cells using [3H]5-CT as radioligand				J Med Chem 45: 2197-206 (2002) Article DOI: 10.1021/jm0104264 BindingDB Entry DOI: 10.7270/Q2S46VRM
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50473640 (CHEMBL71847) Show SMILES COc1cccc(c1)N1CCN(CCCCC23CCCc4cccc(NC2=O)c34)CC1 Show InChI InChI=1S/C26H33N3O2/c1-31-22-10-5-9-21(19-22)29-17-15-28(16-18-29)14-3-2-12-26-13-6-8-20-7-4-11-23(24(20)26)27-25(26)30/h4-5,7,9-11,19H,2-3,6,8,12-18H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha Ltd. Curated by ChEMBL					Assay Description Binding affinity to human recombinant 5-hydroxytryptamine 7 receptor in mammalian cells using [3H]5-CT as radioligand				J Med Chem 45: 2197-206 (2002) Article DOI: 10.1021/jm0104264 BindingDB Entry DOI: 10.7270/Q2S46VRM
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50244728 (CHEMBL4102622) Show SMILES CN1c2ccccc2OC[C@H](N2CCc3c(nn(Cc4ccccc4)c3C(N)=O)C2=O)C1=O |r| Show InChI InChI=1S/C24H23N5O4/c1-27-17-9-5-6-10-19(17)33-14-18(23(27)31)28-12-11-16-20(24(28)32)26-29(21(16)22(25)30)13-15-7-3-2-4-8-15/h2-10,18H,11-14H2,1H3,(H2,25,30)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of fluorescent-labeled 3-(3-((3-(4-amino-5-(4-(3-(2-fluoro-5-(trifluoromethyl)phenyl)ureido)-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)propy...				J Med Chem 61: 2384-2409 (2018) Article DOI: 10.1021/acs.jmedchem.7b01647 BindingDB Entry DOI: 10.7270/Q2V98BGX
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM364423 (US10913711, Compound 10j | US11555013, Compound 10...) Show SMILES OC(CN1CCN(CCS(=O)C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 Show InChI InChI=1S/C28H32F2N2O2S/c29-25-10-6-23(7-11-25)28(24-8-12-26(30)13-9-24)35(34)19-18-31-14-16-32(17-15-31)21-27(33)20-22-4-2-1-3-5-22/h1-13,27-28,33H,14-21H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	MCE PC cid PC sid UniChem	US Patent	2.53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES US Patent					Assay Description Dopamine Transporter Binding Assay. Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quick...				US Patent US10913711 (2021) BindingDB Entry DOI: 10.7270/Q2F47S7B
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM364423 (US10913711, Compound 10j | US11555013, Compound 10...) Show SMILES OC(CN1CCN(CCS(=O)C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 Show InChI InChI=1S/C28H32F2N2O2S/c29-25-10-6-23(7-11-25)28(24-8-12-26(30)13-9-24)35(34)19-18-31-14-16-32(17-15-31)21-27(33)20-22-4-2-1-3-5-22/h1-13,27-28,33H,14-21H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	MCE PC cid PC sid UniChem	US Patent	2.53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Dopamine Transporter Binding Assay. Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quick...				Citation and Details BindingDB Entry DOI: 10.7270/Q2ST7TRG
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM364423 (US10913711, Compound 10j | US11555013, Compound 10...) Show SMILES OC(CN1CCN(CCS(=O)C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 Show InChI InChI=1S/C28H32F2N2O2S/c29-25-10-6-23(7-11-25)28(24-8-12-26(30)13-9-24)35(34)19-18-31-14-16-32(17-15-31)21-27(33)20-22-4-2-1-3-5-22/h1-13,27-28,33H,14-21H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	MCE PC cid PC sid UniChem	US Patent	2.53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared b...				J Med Chem 48: 7688-707 (2005) BindingDB Entry DOI: 10.7270/Q2PR7Z87
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50199800 (CHEMBL3979590 | US10913711, Compound 9g | US115550...) Show SMILES OC(CN1CCN(CCSC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1 Show InChI InChI=1S/C28H34N2OS/c31-27(22-24-10-4-1-5-11-24)23-30-18-16-29(17-19-30)20-21-32-28(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,27-28,31H,16-23H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	2.54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Dopamine Transporter Binding Assay. Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quick...				Citation and Details BindingDB Entry DOI: 10.7270/Q2ST7TRG
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50199800 (CHEMBL3979590 | US10913711, Compound 9g | US115550...) Show SMILES OC(CN1CCN(CCSC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1 Show InChI InChI=1S/C28H34N2OS/c31-27(22-24-10-4-1-5-11-24)23-30-18-16-29(17-19-30)20-21-32-28(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,27-28,31H,16-23H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	2.54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES US Patent					Assay Description Dopamine Transporter Binding Assay. Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quick...				US Patent US10913711 (2021) BindingDB Entry DOI: 10.7270/Q2F47S7B
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50199800 (CHEMBL3979590 | US10913711, Compound 9g | US115550...) Show SMILES OC(CN1CCN(CCSC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1 Show InChI InChI=1S/C28H34N2OS/c31-27(22-24-10-4-1-5-11-24)23-30-18-16-29(17-19-30)20-21-32-28(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,27-28,31H,16-23H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	2.54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared b...				J Med Chem 48: 7688-707 (2005) BindingDB Entry DOI: 10.7270/Q2PR7Z87
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50244720 (CHEMBL4064701) Show SMILES CN1c2ccccc2OC[C@H](N2CCc3c(C)n(Cc4ccccc4)nc3C2=O)C1=O |r| Show InChI InChI=1S/C24H24N4O3/c1-16-18-12-13-27(20-15-31-21-11-7-6-10-19(21)26(2)23(20)29)24(30)22(18)25-28(16)14-17-8-4-3-5-9-17/h3-11,20H,12-15H2,1-2H3/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of fluorescent-labeled 3-(3-((3-(4-amino-5-(4-(3-(2-fluoro-5-(trifluoromethyl)phenyl)ureido)-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)propy...				J Med Chem 61: 2384-2409 (2018) Article DOI: 10.1021/acs.jmedchem.7b01647 BindingDB Entry DOI: 10.7270/Q2V98BGX
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50097853 (CHEMBL3589651) Show SMILES OC(CCNC(=O)c1cnc2ccccc2c1)CN1CCN(CC1)c1cccc(Cl)c1Cl Show InChI InChI=1S/C24H26Cl2N4O2/c25-20-5-3-7-22(23(20)26)30-12-10-29(11-13-30)16-19(31)8-9-27-24(32)18-14-17-4-1-2-6-21(17)28-15-18/h1-7,14-15,19,31H,8-13,16H2,(H,27,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation counting...				Bioorg Med Chem 23: 4000-12 (2015) Article DOI: 10.1016/j.bmc.2015.01.017 BindingDB Entry DOI: 10.7270/Q2BV7JCJ
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50097835 (CHEMBL3588913) Show SMILES COc1ccccc1N1CCN(CCCCc2cn(nn2)-c2ccc3ccccc3c2)CC1 Show InChI InChI=1S/C27H31N5O/c1-33-27-12-5-4-11-26(27)31-18-16-30(17-19-31)15-7-6-10-24-21-32(29-28-24)25-14-13-22-8-2-3-9-23(22)20-25/h2-5,8-9,11-14,20-21H,6-7,10,15-19H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation counting...				Bioorg Med Chem 23: 4000-12 (2015) Article DOI: 10.1016/j.bmc.2015.01.017 BindingDB Entry DOI: 10.7270/Q2BV7JCJ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM364421 (US10913711, Compound 8b | US9862679, Compound 8b) Show SMILES Fc1ccc(cc1)C(c1ccc(F)cc1)S(=O)CCN1CCN(CCCc2ccccc2)CC1 Show InChI InChI=1S/C28H32F2N2OS/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)34(33)22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.92	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared b...				J Med Chem 48: 7688-707 (2005) BindingDB Entry DOI: 10.7270/Q2PR7Z87
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM364421 (US10913711, Compound 8b | US9862679, Compound 8b) Show SMILES Fc1ccc(cc1)C(c1ccc(F)cc1)S(=O)CCN1CCN(CCCc2ccccc2)CC1 Show InChI InChI=1S/C28H32F2N2OS/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)34(33)22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.92	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES US Patent					Assay Description Dopamine Transporter Binding Assay. Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quick...				US Patent US10913711 (2021) BindingDB Entry DOI: 10.7270/Q2F47S7B
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM589785 (US11555013, Compound 8b) Show SMILES Fc1ccc(cc1)C(c1ccc(F)cc1)S(=O)CCNCCN1CCN(CCCc2ccccc2)CC1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.92	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Dopamine Transporter Binding Assay. Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quick...				Citation and Details BindingDB Entry DOI: 10.7270/Q2ST7TRG
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50244731 (CHEMBL4085728) Show SMILES CN1c2ccc(cc2OC[C@H](N2CCc3cn(Cc4ccccc4F)nc3C2=O)C1=O)C#N |r| Show InChI InChI=1S/C24H20FN5O3/c1-28-19-7-6-15(11-26)10-21(19)33-14-20(23(28)31)30-9-8-17-13-29(27-22(17)24(30)32)12-16-4-2-3-5-18(16)25/h2-7,10,13,20H,8-9,12,14H2,1H3/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of fluorescent-labeled 3-(3-((3-(4-amino-5-(4-(3-(2-fluoro-5-(trifluoromethyl)phenyl)ureido)-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)propy...				J Med Chem 61: 2384-2409 (2018) Article DOI: 10.1021/acs.jmedchem.7b01647 BindingDB Entry DOI: 10.7270/Q2V98BGX
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50097837 (CHEMBL3588915) Show SMILES COc1ccccc1N1CCN(CCCCc2cn(nn2)-c2ccc3[nH]ccc3c2)CC1 Show InChI InChI=1S/C25H30N6O/c1-32-25-8-3-2-7-24(25)30-16-14-29(15-17-30)13-5-4-6-21-19-31(28-27-21)22-9-10-23-20(18-22)11-12-26-23/h2-3,7-12,18-19,26H,4-6,13-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation counting...				Bioorg Med Chem 23: 4000-12 (2015) Article DOI: 10.1016/j.bmc.2015.01.017 BindingDB Entry DOI: 10.7270/Q2BV7JCJ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM589783 (US11555013, Compound 8a) Show SMILES O=S(CCNCCN1CCN(CCCc2ccccc2)CC1)C(c1ccccc1)c1ccccc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Dopamine Transporter Binding Assay. Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quick...				Citation and Details BindingDB Entry DOI: 10.7270/Q2ST7TRG
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM364419 (US10913711, Compound 8a | US9862679, Compound 8a) Show SMILES O=S(CCN1CCN(CCCc2ccccc2)CC1)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H34N2OS/c31-32(28(26-14-6-2-7-15-26)27-16-8-3-9-17-27)24-23-30-21-19-29(20-22-30)18-10-13-25-11-4-1-5-12-25/h1-9,11-12,14-17,28H,10,13,18-24H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared b...				J Med Chem 48: 7688-707 (2005) BindingDB Entry DOI: 10.7270/Q2PR7Z87
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM364419 (US10913711, Compound 8a | US9862679, Compound 8a) Show SMILES O=S(CCN1CCN(CCCc2ccccc2)CC1)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H34N2OS/c31-32(28(26-14-6-2-7-15-26)27-16-8-3-9-17-27)24-23-30-21-19-29(20-22-30)18-10-13-25-11-4-1-5-12-25/h1-9,11-12,14-17,28H,10,13,18-24H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES US Patent					Assay Description Dopamine Transporter Binding Assay. Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quick...				US Patent US10913711 (2021) BindingDB Entry DOI: 10.7270/Q2F47S7B
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50403770 (CHEMBL12427) Show SMILES O=C1Nc2cccc3CCCC1(CCCCN1CCN(CC1)c1ccccc1)c23 Show InChI InChI=1S/C25H31N3O/c29-24-25(14-7-9-20-8-6-12-22(26-24)23(20)25)13-4-5-15-27-16-18-28(19-17-27)21-10-2-1-3-11-21/h1-3,6,8,10-12H,4-5,7,9,13-19H2,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha Ltd. Curated by ChEMBL					Assay Description Binding affinity to human recombinant 5-hydroxytryptamine 7 receptor in mammalian cells using [3H]5-CT as radioligand				J Med Chem 45: 2197-206 (2002) Article DOI: 10.1021/jm0104264 BindingDB Entry DOI: 10.7270/Q2S46VRM
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM364429 (US10913711, Compound 10g | US11555013, Compound 10...) Show SMILES OC(CN1CCN(CCS(=O)C(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1 Show InChI InChI=1S/C28H34N2O2S/c31-27(22-24-10-4-1-5-11-24)23-30-18-16-29(17-19-30)20-21-33(32)28(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,27-28,31H,16-23H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Dopamine Transporter Binding Assay. Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quick...				Citation and Details BindingDB Entry DOI: 10.7270/Q2ST7TRG
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM364429 (US10913711, Compound 10g | US11555013, Compound 10...) Show SMILES OC(CN1CCN(CCS(=O)C(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1 Show InChI InChI=1S/C28H34N2O2S/c31-27(22-24-10-4-1-5-11-24)23-30-18-16-29(17-19-30)20-21-33(32)28(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,27-28,31H,16-23H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared b...				J Med Chem 48: 7688-707 (2005) BindingDB Entry DOI: 10.7270/Q2PR7Z87
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM364429 (US10913711, Compound 10g | US11555013, Compound 10...) Show SMILES OC(CN1CCN(CCS(=O)C(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1 Show InChI InChI=1S/C28H34N2O2S/c31-27(22-24-10-4-1-5-11-24)23-30-18-16-29(17-19-30)20-21-33(32)28(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,27-28,31H,16-23H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES US Patent					Assay Description Dopamine Transporter Binding Assay. Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quick...				US Patent US10913711 (2021) BindingDB Entry DOI: 10.7270/Q2F47S7B
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50220558 (CHEMBL418888) Show SMILES Fc1ccc(cc1)C1=CCN(CCCCC23CCCc4cccc(NC2=O)c34)CC1 |t:8| Show InChI InChI=1S/C26H29FN2O/c27-22-10-8-19(9-11-22)20-12-17-29(18-13-20)16-2-1-14-26-15-4-6-21-5-3-7-23(24(21)26)28-25(26)30/h3,5,7-12H,1-2,4,6,13-18H2,(H,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha Ltd. Curated by ChEMBL					Assay Description Binding affinity to human recombinant 5-hydroxytryptamine 7 receptor in mammalian cells using [3H]5-CT as radioligand				J Med Chem 45: 2197-206 (2002) Article DOI: 10.1021/jm0104264 BindingDB Entry DOI: 10.7270/Q2S46VRM
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50130276 (CHEMBL553794 | N-Methyl-2-{2-[4-(2-oxo-1,2,4,5-tet...) Show SMILES CNC(=O)Cn1c2CN(CCCCC34CCCc5cccc(NC3=O)c45)CCc2c2ccccc12 Show InChI InChI=1S/C29H34N4O2/c1-30-26(34)19-33-24-12-3-2-10-21(24)22-13-17-32(18-25(22)33)16-5-4-14-29-15-7-9-20-8-6-11-23(27(20)29)31-28(29)35/h2-3,6,8,10-12H,4-5,7,9,13-19H2,1H3,(H,30,34)(H,31,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha Ltd. Curated by ChEMBL					Assay Description Binding affinity to human recombinant 5-hydroxytryptamine 7 receptor in mammalian cells using [3H]5-CT as radioligand				J Med Chem 45: 2197-206 (2002) Article DOI: 10.1021/jm0104264 BindingDB Entry DOI: 10.7270/Q2S46VRM
					More data for this Ligand-Target Pair

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