Compile Data Set for Download or QSAR

Found 31 hits Enz. Inhib. hit(s) with all data for entry = 50048377   

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))	BDBM50212343 (CHEMBL73665) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccc(N)cc2)CC1 Show InChI InChI=1S/C28H34N4O2/c1-34-27-7-3-2-6-26(27)32-20-18-31(19-21-32)17-5-4-16-30-28(33)24-10-8-22(9-11-24)23-12-14-25(29)15-13-23/h2-3,6-15H,4-5,16-21,29H2,1H3,(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem		0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity towards Chinese hamster ovary cells transfected with human D3 receptor using [3H]spiperone				Citation and Details BindingDB Entry DOI: 10.7270/Q24B33GZ
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50342717 (4'-Acetyl-biphenyl-4-carboxylic acid {4-[4-(2-meth...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccc(cc2)C(C)=O)CC1 Show InChI InChI=1S/C30H35N3O3/c1-23(34)24-9-11-25(12-10-24)26-13-15-27(16-14-26)30(35)31-17-5-6-18-32-19-21-33(22-20-32)28-7-3-4-8-29(28)36-2/h3-4,7-16H,5-6,17-22H2,1-2H3,(H,31,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars		0.316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity towards Chinese hamster ovary cells transfected with human D3 receptor using [3H]spiperone				Citation and Details BindingDB Entry DOI: 10.7270/Q24B33GZ
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50212344 (CHEMBL423671) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccc(cc2)S(C)(=O)=O)CC1 Show InChI InChI=1S/C29H35N3O4S/c1-36-28-8-4-3-7-27(28)32-21-19-31(20-22-32)18-6-5-17-30-29(33)25-11-9-23(10-12-25)24-13-15-26(16-14-24)37(2,34)35/h3-4,7-16H,5-6,17-22H2,1-2H3,(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem		0.316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity towards Chinese hamster ovary cells transfected with human D3 receptor using [3H]spiperone				Citation and Details BindingDB Entry DOI: 10.7270/Q24B33GZ
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50212342 (CHEMBL71960) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(Br)cc2)CC1 Show InChI InChI=1S/C22H28BrN3O2/c1-28-21-7-3-2-6-20(21)26-16-14-25(15-17-26)13-5-4-12-24-22(27)18-8-10-19(23)11-9-18/h2-3,6-11H,4-5,12-17H2,1H3,(H,24,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem		0.501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity towards Chinese hamster ovary cells transfected with human D3 receptor using [3H]spiperone				Citation and Details BindingDB Entry DOI: 10.7270/Q24B33GZ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity towards mouse LtK- cells transfected with human D2 receptor using [3H]spiperone				Citation and Details BindingDB Entry DOI: 10.7270/Q24B33GZ
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50212345 (CHEMBL70866) Show SMILES COc1ccc(OC)c(c1)N1CCN(CCCCNC(=O)c2ccc(Br)cc2)CC1 Show InChI InChI=1S/C23H30BrN3O3/c1-29-20-9-10-22(30-2)21(17-20)27-15-13-26(14-16-27)12-4-3-11-25-23(28)18-5-7-19(24)8-6-18/h5-10,17H,3-4,11-16H2,1-2H3,(H,25,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity towards Chinese hamster ovary cells transfected with human D3 receptor using [3H]spiperone				Citation and Details BindingDB Entry DOI: 10.7270/Q24B33GZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50342717 (4'-Acetyl-biphenyl-4-carboxylic acid {4-[4-(2-meth...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccc(cc2)C(C)=O)CC1 Show InChI InChI=1S/C30H35N3O3/c1-23(34)24-9-11-25(12-10-24)26-13-15-27(16-14-26)30(35)31-17-5-6-18-32-19-21-33(22-20-32)28-7-3-4-8-29(28)36-2/h3-4,7-16H,5-6,17-22H2,1-2H3,(H,31,35)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars		3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT in rat hippocampus				Citation and Details BindingDB Entry DOI: 10.7270/Q24B33GZ
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50212346 (CHEMBL71894) Show SMILES Brc1ccc(cc1)C(=O)NCCCCN1CCN(CC1)c1ccccc1 Show InChI InChI=1S/C21H26BrN3O/c22-19-10-8-18(9-11-19)21(26)23-12-4-5-13-24-14-16-25(17-15-24)20-6-2-1-3-7-20/h1-3,6-11H,4-5,12-17H2,(H,23,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity towards Chinese hamster ovary cells transfected with human D3 receptor using [3H]spiperone				Citation and Details BindingDB Entry DOI: 10.7270/Q24B33GZ
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars		7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity towards Chinese hamster ovary cells transfected with human D3 receptor using [3H]spiperone				Citation and Details BindingDB Entry DOI: 10.7270/Q24B33GZ
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50212343 (CHEMBL73665) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccc(N)cc2)CC1 Show InChI InChI=1S/C28H34N4O2/c1-34-27-7-3-2-6-26(27)32-20-18-31(19-21-32)17-5-4-16-30-28(33)24-10-8-22(9-11-24)23-12-14-25(29)15-13-23/h2-3,6-15H,4-5,16-21,29H2,1H3,(H,30,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem		10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound was evaluated for binding affinity towards Alpha-1 adrenergic receptor using [3H]prazosin in rat heart				Citation and Details BindingDB Entry DOI: 10.7270/Q24B33GZ
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50212344 (CHEMBL423671) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccc(cc2)S(C)(=O)=O)CC1 Show InChI InChI=1S/C29H35N3O4S/c1-36-28-8-4-3-7-27(28)32-21-19-31(20-22-32)18-6-5-17-30-29(33)25-11-9-23(10-12-25)24-13-15-26(16-14-24)37(2,34)35/h3-4,7-16H,5-6,17-22H2,1-2H3,(H,30,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem		13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound was evaluated for binding affinity towards Alpha-1 adrenergic receptor using [3H]prazosin in rat heart				Citation and Details BindingDB Entry DOI: 10.7270/Q24B33GZ
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50342717 (4'-Acetyl-biphenyl-4-carboxylic acid {4-[4-(2-meth...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccc(cc2)C(C)=O)CC1 Show InChI InChI=1S/C30H35N3O3/c1-23(34)24-9-11-25(12-10-24)26-13-15-27(16-14-26)30(35)31-17-5-6-18-32-19-21-33(22-20-32)28-7-3-4-8-29(28)36-2/h3-4,7-16H,5-6,17-22H2,1-2H3,(H,31,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars		13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity towards Alpha-1 adrenergic receptor using [3H]prazosin in rat heart				Citation and Details BindingDB Entry DOI: 10.7270/Q24B33GZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50212342 (CHEMBL71960) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(Br)cc2)CC1 Show InChI InChI=1S/C22H28BrN3O2/c1-28-21-7-3-2-6-20(21)26-16-14-25(15-17-26)13-5-4-12-24-22(27)18-8-10-19(23)11-9-18/h2-3,6-11H,4-5,12-17H2,1H3,(H,24,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem		13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT in rat hippocampus				Citation and Details BindingDB Entry DOI: 10.7270/Q24B33GZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50212343 (CHEMBL73665) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccc(N)cc2)CC1 Show InChI InChI=1S/C28H34N4O2/c1-34-27-7-3-2-6-26(27)32-20-18-31(19-21-32)17-5-4-16-30-28(33)24-10-8-22(9-11-24)23-12-14-25(29)15-13-23/h2-3,6-15H,4-5,16-21,29H2,1H3,(H,30,33)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem		13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT in rat hippocampus				Citation and Details BindingDB Entry DOI: 10.7270/Q24B33GZ
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50212342 (CHEMBL71960) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(Br)cc2)CC1 Show InChI InChI=1S/C22H28BrN3O2/c1-28-21-7-3-2-6-20(21)26-16-14-25(15-17-26)13-5-4-12-24-22(27)18-8-10-19(23)11-9-18/h2-3,6-11H,4-5,12-17H2,1H3,(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem		13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound was evaluated for binding affinity towards Alpha-1 adrenergic receptor using [3H]prazosin in rat heart				Citation and Details BindingDB Entry DOI: 10.7270/Q24B33GZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50212344 (CHEMBL423671) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccc(cc2)S(C)(=O)=O)CC1 Show InChI InChI=1S/C29H35N3O4S/c1-36-28-8-4-3-7-27(28)32-21-19-31(20-22-32)18-6-5-17-30-29(33)25-11-9-23(10-12-25)24-13-15-26(16-14-24)37(2,34)35/h3-4,7-16H,5-6,17-22H2,1-2H3,(H,30,33)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem		20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT in rat hippocampus				Citation and Details BindingDB Entry DOI: 10.7270/Q24B33GZ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50212343 (CHEMBL73665) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccc(N)cc2)CC1 Show InChI InChI=1S/C28H34N4O2/c1-34-27-7-3-2-6-26(27)32-20-18-31(19-21-32)17-5-4-16-30-28(33)24-10-8-22(9-11-24)23-12-14-25(29)15-13-23/h2-3,6-15H,4-5,16-21,29H2,1H3,(H,30,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem		20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity towards mouse LtK- cells transfected with human D2 receptor using [3H]spiperone				Citation and Details BindingDB Entry DOI: 10.7270/Q24B33GZ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50212344 (CHEMBL423671) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccc(cc2)S(C)(=O)=O)CC1 Show InChI InChI=1S/C29H35N3O4S/c1-36-28-8-4-3-7-27(28)32-21-19-31(20-22-32)18-6-5-17-30-29(33)25-11-9-23(10-12-25)24-13-15-26(16-14-24)37(2,34)35/h3-4,7-16H,5-6,17-22H2,1-2H3,(H,30,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem		25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity towards mouse LtK- cells transfected with human D2 receptor using [3H]spiperone				Citation and Details BindingDB Entry DOI: 10.7270/Q24B33GZ
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50212345 (CHEMBL70866) Show SMILES COc1ccc(OC)c(c1)N1CCN(CCCCNC(=O)c2ccc(Br)cc2)CC1 Show InChI InChI=1S/C23H30BrN3O3/c1-29-20-9-10-22(30-2)21(17-20)27-15-13-26(14-16-27)12-4-3-11-25-23(28)18-5-7-19(24)8-6-18/h5-10,17H,3-4,11-16H2,1-2H3,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound was evaluated for binding affinity towards Alpha-1 adrenergic receptor using [3H]prazosin in rat heart				Citation and Details BindingDB Entry DOI: 10.7270/Q24B33GZ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50212342 (CHEMBL71960) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(Br)cc2)CC1 Show InChI InChI=1S/C22H28BrN3O2/c1-28-21-7-3-2-6-20(21)26-16-14-25(15-17-26)13-5-4-12-24-22(27)18-8-10-19(23)11-9-18/h2-3,6-11H,4-5,12-17H2,1H3,(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem		40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity towards mouse LtK- cells transfected with human D2 receptor using [3H]spiperone				Citation and Details BindingDB Entry DOI: 10.7270/Q24B33GZ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50342717 (4'-Acetyl-biphenyl-4-carboxylic acid {4-[4-(2-meth...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccc(cc2)C(C)=O)CC1 Show InChI InChI=1S/C30H35N3O3/c1-23(34)24-9-11-25(12-10-24)26-13-15-27(16-14-26)30(35)31-17-5-6-18-32-19-21-33(22-20-32)28-7-3-4-8-29(28)36-2/h3-4,7-16H,5-6,17-22H2,1-2H3,(H,31,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars		40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity towards mouse LtK- cells transfected with human D2 receptor using [3H]spiperone				Citation and Details BindingDB Entry DOI: 10.7270/Q24B33GZ
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50212342 (CHEMBL71960) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(Br)cc2)CC1 Show InChI InChI=1S/C22H28BrN3O2/c1-28-21-7-3-2-6-20(21)26-16-14-25(15-17-26)13-5-4-12-24-22(27)18-8-10-19(23)11-9-18/h2-3,6-11H,4-5,12-17H2,1H3,(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem		50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity towards Chinese hamster ovary cells transfected with human D4 receptor using [3H]spiperone				Citation and Details BindingDB Entry DOI: 10.7270/Q24B33GZ
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50342717 (4'-Acetyl-biphenyl-4-carboxylic acid {4-[4-(2-meth...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccc(cc2)C(C)=O)CC1 Show InChI InChI=1S/C30H35N3O3/c1-23(34)24-9-11-25(12-10-24)26-13-15-27(16-14-26)30(35)31-17-5-6-18-32-19-21-33(22-20-32)28-7-3-4-8-29(28)36-2/h3-4,7-16H,5-6,17-22H2,1-2H3,(H,31,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars		63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity towards Dopamine D4 receptor				Citation and Details BindingDB Entry DOI: 10.7270/Q24B33GZ
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50212343 (CHEMBL73665) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccc(N)cc2)CC1 Show InChI InChI=1S/C28H34N4O2/c1-34-27-7-3-2-6-26(27)32-20-18-31(19-21-32)17-5-4-16-30-28(33)24-10-8-22(9-11-24)23-12-14-25(29)15-13-23/h2-3,6-15H,4-5,16-21,29H2,1H3,(H,30,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem		100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity towards D1 receptor using [3H]-SCH- 23390 in rat striatal tissue				Citation and Details BindingDB Entry DOI: 10.7270/Q24B33GZ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50212345 (CHEMBL70866) Show SMILES COc1ccc(OC)c(c1)N1CCN(CCCCNC(=O)c2ccc(Br)cc2)CC1 Show InChI InChI=1S/C23H30BrN3O3/c1-29-20-9-10-22(30-2)21(17-20)27-15-13-26(14-16-27)12-4-3-11-25-23(28)18-5-7-19(24)8-6-18/h5-10,17H,3-4,11-16H2,1-2H3,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity towards mouse LtK- cells transfected with human D2 receptor using [3H]spiperone				Citation and Details BindingDB Entry DOI: 10.7270/Q24B33GZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50212346 (CHEMBL71894) Show SMILES Brc1ccc(cc1)C(=O)NCCCCN1CCN(CC1)c1ccccc1 Show InChI InChI=1S/C21H26BrN3O/c22-19-10-8-18(9-11-19)21(26)23-12-4-5-13-24-14-16-25(17-15-24)20-6-2-1-3-7-20/h1-3,6-11H,4-5,12-17H2,(H,23,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT in rat hippocampus				Citation and Details BindingDB Entry DOI: 10.7270/Q24B33GZ
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50212344 (CHEMBL423671) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccc(cc2)S(C)(=O)=O)CC1 Show InChI InChI=1S/C29H35N3O4S/c1-36-28-8-4-3-7-27(28)32-21-19-31(20-22-32)18-6-5-17-30-29(33)25-11-9-23(10-12-25)24-13-15-26(16-14-24)37(2,34)35/h3-4,7-16H,5-6,17-22H2,1-2H3,(H,30,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem		158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity towards D1 receptor using [3H]-SCH- 23390 in rat striatal tissue				Citation and Details BindingDB Entry DOI: 10.7270/Q24B33GZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50212345 (CHEMBL70866) Show SMILES COc1ccc(OC)c(c1)N1CCN(CCCCNC(=O)c2ccc(Br)cc2)CC1 Show InChI InChI=1S/C23H30BrN3O3/c1-29-20-9-10-22(30-2)21(17-20)27-15-13-26(14-16-27)12-4-3-11-25-23(28)18-5-7-19(24)8-6-18/h5-10,17H,3-4,11-16H2,1-2H3,(H,25,28)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT in rat hippocampus				Citation and Details BindingDB Entry DOI: 10.7270/Q24B33GZ
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50342717 (4'-Acetyl-biphenyl-4-carboxylic acid {4-[4-(2-meth...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccc(cc2)C(C)=O)CC1 Show InChI InChI=1S/C30H35N3O3/c1-23(34)24-9-11-25(12-10-24)26-13-15-27(16-14-26)30(35)31-17-5-6-18-32-19-21-33(22-20-32)28-7-3-4-8-29(28)36-2/h3-4,7-16H,5-6,17-22H2,1-2H3,(H,31,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars		398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity towards D1 receptor using [3H]-SCH- 23390 in rat striatal tissue				Citation and Details BindingDB Entry DOI: 10.7270/Q24B33GZ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50212346 (CHEMBL71894) Show SMILES Brc1ccc(cc1)C(=O)NCCCCN1CCN(CC1)c1ccccc1 Show InChI InChI=1S/C21H26BrN3O/c22-19-10-8-18(9-11-19)21(26)23-12-4-5-13-24-14-16-25(17-15-24)20-6-2-1-3-7-20/h1-3,6-11H,4-5,12-17H2,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity towards mouse LtK- cells transfected with human D2 receptor using [3H]spiperone				Citation and Details BindingDB Entry DOI: 10.7270/Q24B33GZ
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50212342 (CHEMBL71960) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(Br)cc2)CC1 Show InChI InChI=1S/C22H28BrN3O2/c1-28-21-7-3-2-6-20(21)26-16-14-25(15-17-26)13-5-4-12-24-22(27)18-8-10-19(23)11-9-18/h2-3,6-11H,4-5,12-17H2,1H3,(H,24,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem		501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity towards D1 receptor using [3H]-SCH- 23390 in rat striatal tissue				Citation and Details BindingDB Entry DOI: 10.7270/Q24B33GZ
					More data for this Ligand-Target Pair