Compile Data Set for Download or QSAR

Found 176 hits with Last Name = 'allen' and Initial = 'ja'   

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(1A) dopamine receptor (Homo sapiens (Human))	BDBM50535447 (CHEMBL4453318) Show SMILES Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)c(=O)[nH]c(=O)n1C |(48.67,-21.36,;48.68,-22.9,;47.35,-23.68,;47.35,-25.22,;46.01,-25.99,;46.01,-27.53,;47.34,-28.29,;47.35,-29.83,;46.01,-30.61,;44.67,-29.83,;43.21,-30.31,;42.3,-29.07,;43.2,-27.83,;44.67,-28.3,;48.68,-25.99,;50.02,-25.22,;50.01,-23.67,;51.34,-22.89,;51.33,-21.36,;49.99,-20.59,;52.67,-20.58,;52.67,-19.04,;54,-21.35,;54,-22.89,;55.33,-23.66,;52.67,-23.66,;52.68,-25.2,)| Show InChI InChI=1S/C20H17N3O4/c1-11-10-13(27-19-15-7-9-26-16(15)6-8-21-19)4-5-14(11)17-12(2)18(24)22-20(25)23(17)3/h4-10H,1-3H3,(H,22,24,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Medical Branch Curated by ChEMBL					Assay Description Displacement of [3H]-SCH23390 from wild type human D1R expressed in HEK293 cell membranes incubated for 90 mins by scintillation counting based compe...				ACS Med Chem Lett 10: 792-799 (2019) Article DOI: 10.1021/acsmedchemlett.9b00050 BindingDB Entry DOI: 10.7270/Q26W9FKV
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM86282 (6-Chloro-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]az...) Show SMILES Oc1cc2C(CNCCc2c(Cl)c1O)c1ccccc1 Show InChI InChI=1S/C16H16ClNO2/c17-15-11-6-7-18-9-13(10-4-2-1-3-5-10)12(11)8-14(19)16(15)20/h1-5,8,13,18-20H,6-7,9H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Medical Branch Curated by ChEMBL					Assay Description Displacement of [3H]-SCH23390 from wild type human D1R expressed in HEK293 cell membranes incubated for 90 mins by scintillation counting based compe...				ACS Med Chem Lett 10: 792-799 (2019) Article DOI: 10.1021/acsmedchemlett.9b00050 BindingDB Entry DOI: 10.7270/Q26W9FKV
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50535448 (CHEMBL4469983) Show SMILES Cc1n[nH]c(=O)c(C)c1-c1ccc(Oc2nccc3occc23)cc1F |(54.06,-8.22,;54.05,-6.68,;55.38,-5.9,;55.37,-4.36,;54.02,-3.6,;54.01,-2.06,;52.7,-4.38,;51.36,-3.62,;52.71,-5.91,;51.39,-6.69,;50.04,-5.93,;48.71,-6.71,;48.73,-8.24,;47.4,-9.01,;47.41,-10.55,;48.74,-11.32,;48.75,-12.87,;47.41,-13.64,;46.07,-12.87,;44.61,-13.34,;43.7,-12.1,;44.61,-10.85,;46.08,-11.33,;50.06,-9.01,;51.39,-8.23,;52.73,-9,)| Show InChI InChI=1S/C19H14FN3O3/c1-10-17(11(2)22-23-18(10)24)13-4-3-12(9-15(13)20)26-19-14-6-8-25-16(14)5-7-21-19/h3-9H,1-2H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Medical Branch Curated by ChEMBL					Assay Description Displacement of [3H]-SCH23390 from wild type human D1R expressed in HEK293 cell membranes incubated for 90 mins by scintillation counting based compe...				ACS Med Chem Lett 10: 792-799 (2019) Article DOI: 10.1021/acsmedchemlett.9b00050 BindingDB Entry DOI: 10.7270/Q26W9FKV
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM160875 (US10093655, Example 45 | US11014909, Example 45 | ...) Show SMILES Cc1cc(Oc2ncccc2OC(F)F)ccc1-c1c(C)c(=O)[nH]c(=O)n1C |(.67,3.47,;.67,1.93,;-.67,1.15,;-.67,-.38,;-2,-1.15,;-2,-2.69,;-.67,-3.47,;-.67,-5,;-2,-5.78,;-3.33,-5,;-3.33,-3.47,;-4.67,-2.69,;-6,-3.47,;-7.34,-2.69,;-6,-5,;.67,-1.15,;2,-.38,;2,1.15,;3.33,1.93,;3.33,3.47,;2,4.23,;4.67,4.23,;4.67,5.78,;6,3.47,;6,1.93,;7.34,1.15,;4.67,1.15,;4.67,-.38,)| Show InChI InChI=1S/C19H17F2N3O4/c1-10-9-12(27-17-14(28-18(20)21)5-4-8-22-17)6-7-13(10)15-11(2)16(25)23-19(26)24(15)3/h4-9,18H,1-3H3,(H,23,25,26)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Medical Branch Curated by ChEMBL					Assay Description Displacement of [3H]-SCH23390 from wild type human D1R expressed in HEK293 cell membranes incubated for 90 mins by scintillation counting based compe...				ACS Med Chem Lett 10: 792-799 (2019) Article DOI: 10.1021/acsmedchemlett.9b00050 BindingDB Entry DOI: 10.7270/Q26W9FKV
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50554937 (CHEMBL4780654 | US20240059655, Compound PW0787) Show SMILES OCCNC(=O)c1cccc2N(CCc12)c1cc(Cc2cc(F)cc(c2)C(F)(F)F)ncn1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to 5-HT2C (unknown origin) assessed as inhibition of ligand binding				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01498 BindingDB Entry DOI: 10.7270/Q22N55XV
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM55121 (3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...) Show SMILES NCCc1ccc(O)c(O)c1 Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	DrugBank Article PubMed	n/a	n/a	n/a	n/a	0.800	n/a	n/a	n/a	n/a
University of Texas Medical Branch Curated by ChEMBL					Assay Description Agonist activity at D2R (unknown origin) expressed in HEK293 cells assessed as effect on cAMP accumulation incubated for 10 mins by Gi-cAMP Glosensor...				ACS Med Chem Lett 10: 792-799 (2019) Article DOI: 10.1021/acsmedchemlett.9b00050 BindingDB Entry DOI: 10.7270/Q26W9FKV
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50018958 (CHEBI:75401 | QUINPIROLE) Show SMILES [H][C@]12CCCN(CCC)[C@]1([H])Cc1c[nH]nc1C2 Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.70	n/a	n/a	n/a	n/a
University of Texas Medical Branch Curated by ChEMBL					Assay Description Agonist activity at D4R (unknown origin) expressed in HEK293 cells assessed as effect on cAMP accumulation incubated for 10 mins by Gi-cAMP Glosensor...				ACS Med Chem Lett 10: 792-799 (2019) Article DOI: 10.1021/acsmedchemlett.9b00050 BindingDB Entry DOI: 10.7270/Q26W9FKV
					More data for this Ligand-Target Pair
D(1B) dopamine receptor (Homo sapiens (Human))	BDBM86282 (6-Chloro-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]az...) Show SMILES Oc1cc2C(CNCCc2c(Cl)c1O)c1ccccc1 Show InChI InChI=1S/C16H16ClNO2/c17-15-11-6-7-18-9-13(10-4-2-1-3-5-10)12(11)8-14(19)16(15)20/h1-5,8,13,18-20H,6-7,9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.40	n/a	n/a	n/a	n/a
University of Texas Medical Branch Curated by ChEMBL					Assay Description Agonist activity at D5R (unknown origin) expressed in HEK293 cells assessed as effect on cAMP accumulation incubated for 10 mins by Gs-cAMP Glosensor...				ACS Med Chem Lett 10: 792-799 (2019) Article DOI: 10.1021/acsmedchemlett.9b00050 BindingDB Entry DOI: 10.7270/Q26W9FKV
					More data for this Ligand-Target Pair
D(1B) dopamine receptor (Homo sapiens (Human))	BDBM160875 (US10093655, Example 45 | US11014909, Example 45 | ...) Show SMILES Cc1cc(Oc2ncccc2OC(F)F)ccc1-c1c(C)c(=O)[nH]c(=O)n1C |(.67,3.47,;.67,1.93,;-.67,1.15,;-.67,-.38,;-2,-1.15,;-2,-2.69,;-.67,-3.47,;-.67,-5,;-2,-5.78,;-3.33,-5,;-3.33,-3.47,;-4.67,-2.69,;-6,-3.47,;-7.34,-2.69,;-6,-5,;.67,-1.15,;2,-.38,;2,1.15,;3.33,1.93,;3.33,3.47,;2,4.23,;4.67,4.23,;4.67,5.78,;6,3.47,;6,1.93,;7.34,1.15,;4.67,1.15,;4.67,-.38,)| Show InChI InChI=1S/C19H17F2N3O4/c1-10-9-12(27-17-14(28-18(20)21)5-4-8-22-17)6-7-13(10)15-11(2)16(25)23-19(26)24(15)3/h4-9,18H,1-3H3,(H,23,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a
University of Texas Medical Branch Curated by ChEMBL					Assay Description Agonist activity at D5R (unknown origin) expressed in HEK293 cells assessed as effect on cAMP accumulation incubated for 10 mins by Gs-cAMP Glosensor...				ACS Med Chem Lett 10: 792-799 (2019) Article DOI: 10.1021/acsmedchemlett.9b00050 BindingDB Entry DOI: 10.7270/Q26W9FKV
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50535455 (CHEMBL4538358) Show SMILES Cc1c(-c2ccc(Nc3nccc4occc34)nc2)n(C)c(=O)[nH]c1=O Show InChI InChI=1S/C18H15N5O3/c1-10-15(23(2)18(25)22-17(10)24)11-3-4-14(20-9-11)21-16-12-6-8-26-13(12)5-7-19-16/h3-9H,1-2H3,(H,19,20,21)(H,22,24,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	450	n/a	n/a	n/a	n/a
University of Texas Medical Branch Curated by ChEMBL					Assay Description Agonist activity at wild type human D1R expressed in HEK293 cells assessed as effect on cAMP accumulation incubated for 10 mins by Gs-cAMP Glosensor ...				ACS Med Chem Lett 10: 792-799 (2019) Article DOI: 10.1021/acsmedchemlett.9b00050 BindingDB Entry DOI: 10.7270/Q26W9FKV
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50535447 (CHEMBL4453318) Show SMILES Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)c(=O)[nH]c(=O)n1C |(48.67,-21.36,;48.68,-22.9,;47.35,-23.68,;47.35,-25.22,;46.01,-25.99,;46.01,-27.53,;47.34,-28.29,;47.35,-29.83,;46.01,-30.61,;44.67,-29.83,;43.21,-30.31,;42.3,-29.07,;43.2,-27.83,;44.67,-28.3,;48.68,-25.99,;50.02,-25.22,;50.01,-23.67,;51.34,-22.89,;51.33,-21.36,;49.99,-20.59,;52.67,-20.58,;52.67,-19.04,;54,-21.35,;54,-22.89,;55.33,-23.66,;52.67,-23.66,;52.68,-25.2,)| Show InChI InChI=1S/C20H17N3O4/c1-11-10-13(27-19-15-7-9-26-16(15)6-8-21-19)4-5-14(11)17-12(2)18(24)22-20(25)23(17)3/h4-10H,1-3H3,(H,22,24,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	35	n/a	n/a	n/a	n/a
University of Texas Medical Branch Curated by ChEMBL					Assay Description Agonist activity at wild type human D1R expressed in HEK293 cells assessed as effect on beta-arrestin2 recruitment by PRESTO-Tango beta-arrestin2 rec...				ACS Med Chem Lett 10: 792-799 (2019) Article DOI: 10.1021/acsmedchemlett.9b00050 BindingDB Entry DOI: 10.7270/Q26W9FKV
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(1B) dopamine receptor (Homo sapiens (Human))	BDBM55121 (3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...) Show SMILES NCCc1ccc(O)c(O)c1 Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
University of Texas Medical Branch Curated by ChEMBL					Assay Description Agonist activity at D5R (unknown origin) expressed in HEK293 cells assessed as effect on cAMP accumulation incubated for 10 mins by Gs-cAMP Glosensor...				ACS Med Chem Lett 10: 792-799 (2019) Article DOI: 10.1021/acsmedchemlett.9b00050 BindingDB Entry DOI: 10.7270/Q26W9FKV
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50465935 (CHEMBL4277264) Show SMILES Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 |(29.98,-5.28,;29.99,-6.82,;28.67,-7.59,;28.68,-9.13,;27.35,-9.9,;27.36,-11.44,;28.69,-12.2,;28.7,-13.75,;27.36,-14.52,;26.03,-13.75,;24.57,-14.23,;23.66,-13,;24.55,-11.74,;26.02,-12.21,;30.02,-9.9,;31.35,-9.12,;31.34,-7.58,;32.66,-6.8,;34,-7.57,;34.01,-9.11,;35.33,-6.79,;35.32,-5.25,;33.97,-4.49,;33.64,-2.99,;32.12,-2.84,;31.5,-4.24,;32.64,-5.27,)| Show InChI InChI=1S/C21H16N4O2/c1-13-11-15(27-21-17-6-10-26-18(17)5-7-23-21)3-4-16(13)20-14(2)24-12-19-22-8-9-25(19)20/h3-12H,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a
University of Texas Medical Branch Curated by ChEMBL					Assay Description Agonist activity at wild type human D1R expressed in HEK293 cells assessed as effect on cAMP accumulation incubated for 10 mins by Gs-cAMP Glosensor ...				ACS Med Chem Lett 10: 792-799 (2019) Article DOI: 10.1021/acsmedchemlett.9b00050 BindingDB Entry DOI: 10.7270/Q26W9FKV
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM86282 (6-Chloro-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]az...) Show SMILES Oc1cc2C(CNCCc2c(Cl)c1O)c1ccccc1 Show InChI InChI=1S/C16H16ClNO2/c17-15-11-6-7-18-9-13(10-4-2-1-3-5-10)12(11)8-14(19)16(15)20/h1-5,8,13,18-20H,6-7,9H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	4.70	n/a	n/a	n/a	n/a
University of Texas Medical Branch Curated by ChEMBL					Assay Description Agonist activity at wild type human D1R expressed in HEK293 cells assessed as effect on cAMP accumulation incubated for 10 mins by Gs-cAMP Glosensor ...				ACS Med Chem Lett 10: 792-799 (2019) Article DOI: 10.1021/acsmedchemlett.9b00050 BindingDB Entry DOI: 10.7270/Q26W9FKV
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50523450 (CHEMBL4437012) Show SMILES Cc1cnnc(C)c1-c1ccc(Oc2nccc3occc23)cc1C |(41.44,-20.14,;42.78,-20.9,;44.1,-20.13,;45.45,-20.89,;45.45,-22.43,;44.12,-23.21,;44.13,-24.75,;42.79,-22.44,;41.46,-23.21,;41.47,-24.75,;40.13,-25.53,;38.81,-24.75,;37.47,-25.53,;37.48,-27.07,;38.81,-27.83,;38.82,-29.38,;37.48,-30.15,;36.15,-29.38,;34.67,-29.86,;33.77,-28.6,;34.68,-27.35,;36.15,-27.83,;38.79,-23.22,;40.12,-22.45,;40.11,-20.91,)| Show InChI InChI=1S/C20H17N3O2/c1-12-10-15(25-20-17-7-9-24-18(17)6-8-21-20)4-5-16(12)19-13(2)11-22-23-14(19)3/h4-11H,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	81	n/a	n/a	n/a	n/a
University of Texas Medical Branch Curated by ChEMBL					Assay Description Agonist activity at wild type human D1R expressed in HEK293 cells assessed as effect on cAMP accumulation incubated for 10 mins by Gs-cAMP Glosensor ...				ACS Med Chem Lett 10: 792-799 (2019) Article DOI: 10.1021/acsmedchemlett.9b00050 BindingDB Entry DOI: 10.7270/Q26W9FKV
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50535456 (CHEMBL4475914) Show SMILES Cc1cc(Oc2ncnc3sc4CCCCc4c23)ccc1-c1c(C)c(=O)[nH]c(=O)n1C |(13.88,-37.95,;13.89,-39.49,;12.56,-40.26,;12.55,-41.81,;11.22,-42.58,;11.22,-44.12,;12.55,-44.88,;12.55,-46.42,;11.21,-47.2,;9.88,-46.43,;8.42,-46.91,;7.5,-45.66,;5.98,-45.51,;5.36,-44.11,;6.25,-42.87,;7.78,-43.03,;8.4,-44.42,;9.87,-44.89,;13.89,-42.58,;15.23,-41.81,;15.22,-40.25,;16.55,-39.48,;16.54,-37.94,;15.2,-37.17,;17.88,-37.17,;17.88,-35.63,;19.22,-37.94,;19.22,-39.48,;20.55,-40.25,;17.89,-40.25,;17.89,-41.79,)| Show InChI InChI=1S/C23H22N4O3S/c1-12-10-14(8-9-15(12)19-13(2)20(28)26-23(29)27(19)3)30-21-18-16-6-4-5-7-17(16)31-22(18)25-11-24-21/h8-11H,4-7H2,1-3H3,(H,26,28,29)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
University of Texas Medical Branch Curated by ChEMBL					Assay Description Agonist activity at wild type human D1R expressed in HEK293 cells assessed as effect on cAMP accumulation incubated for 10 mins by Gs-cAMP Glosensor ...				ACS Med Chem Lett 10: 792-799 (2019) Article DOI: 10.1021/acsmedchemlett.9b00050 BindingDB Entry DOI: 10.7270/Q26W9FKV
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50535457 (CHEMBL4449782) Show SMILES Cc1c(-c2ccc3N(CCc3c2)c2nccc3occc23)n(C)c(=O)[nH]c1=O Show InChI InChI=1S/C21H18N4O3/c1-12-18(24(2)21(27)23-20(12)26)14-3-4-16-13(11-14)6-9-25(16)19-15-7-10-28-17(15)5-8-22-19/h3-5,7-8,10-11H,6,9H2,1-2H3,(H,23,26,27)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	410	n/a	n/a	n/a	n/a
University of Texas Medical Branch Curated by ChEMBL					Assay Description Agonist activity at wild type human D1R expressed in HEK293 cells assessed as effect on cAMP accumulation incubated for 10 mins by Gs-cAMP Glosensor ...				ACS Med Chem Lett 10: 792-799 (2019) Article DOI: 10.1021/acsmedchemlett.9b00050 BindingDB Entry DOI: 10.7270/Q26W9FKV
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50535448 (CHEMBL4469983) Show SMILES Cc1n[nH]c(=O)c(C)c1-c1ccc(Oc2nccc3occc23)cc1F |(54.06,-8.22,;54.05,-6.68,;55.38,-5.9,;55.37,-4.36,;54.02,-3.6,;54.01,-2.06,;52.7,-4.38,;51.36,-3.62,;52.71,-5.91,;51.39,-6.69,;50.04,-5.93,;48.71,-6.71,;48.73,-8.24,;47.4,-9.01,;47.41,-10.55,;48.74,-11.32,;48.75,-12.87,;47.41,-13.64,;46.07,-12.87,;44.61,-13.34,;43.7,-12.1,;44.61,-10.85,;46.08,-11.33,;50.06,-9.01,;51.39,-8.23,;52.73,-9,)| Show InChI InChI=1S/C19H14FN3O3/c1-10-17(11(2)22-23-18(10)24)13-4-3-12(9-15(13)20)26-19-14-6-8-25-16(14)5-7-21-19/h3-9H,1-2H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	490	n/a	n/a	n/a	n/a
University of Texas Medical Branch Curated by ChEMBL					Assay Description Agonist activity at wild type human D1R expressed in HEK293 cells assessed as effect on beta-arrestin2 recruitment by PRESTO-Tango beta-arrestin2 rec...				ACS Med Chem Lett 10: 792-799 (2019) Article DOI: 10.1021/acsmedchemlett.9b00050 BindingDB Entry DOI: 10.7270/Q26W9FKV
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM55121 (3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...) Show SMILES NCCc1ccc(O)c(O)c1 Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	DrugBank Article PubMed	n/a	n/a	n/a	n/a	1.80	n/a	n/a	n/a	n/a
University of Texas Medical Branch Curated by ChEMBL					Assay Description Agonist activity at D4R (unknown origin) expressed in HEK293 cells assessed as effect on cAMP accumulation incubated for 10 mins by Gi-cAMP Glosensor...				ACS Med Chem Lett 10: 792-799 (2019) Article DOI: 10.1021/acsmedchemlett.9b00050 BindingDB Entry DOI: 10.7270/Q26W9FKV
					More data for this Ligand-Target Pair
D(1B) dopamine receptor (Homo sapiens (Human))	BDBM50535447 (CHEMBL4453318) Show SMILES Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)c(=O)[nH]c(=O)n1C |(48.67,-21.36,;48.68,-22.9,;47.35,-23.68,;47.35,-25.22,;46.01,-25.99,;46.01,-27.53,;47.34,-28.29,;47.35,-29.83,;46.01,-30.61,;44.67,-29.83,;43.21,-30.31,;42.3,-29.07,;43.2,-27.83,;44.67,-28.3,;48.68,-25.99,;50.02,-25.22,;50.01,-23.67,;51.34,-22.89,;51.33,-21.36,;49.99,-20.59,;52.67,-20.58,;52.67,-19.04,;54,-21.35,;54,-22.89,;55.33,-23.66,;52.67,-23.66,;52.68,-25.2,)| Show InChI InChI=1S/C20H17N3O4/c1-11-10-13(27-19-15-7-9-26-16(15)6-8-21-19)4-5-14(11)17-12(2)18(24)22-20(25)23(17)3/h4-10H,1-3H3,(H,22,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.40	n/a	n/a	n/a	n/a
University of Texas Medical Branch Curated by ChEMBL					Assay Description Agonist activity at D5R (unknown origin) expressed in HEK293 cells assessed as effect on cAMP accumulation incubated for 10 mins by Gs-cAMP Glosensor...				ACS Med Chem Lett 10: 792-799 (2019) Article DOI: 10.1021/acsmedchemlett.9b00050 BindingDB Entry DOI: 10.7270/Q26W9FKV
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM55121 (3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...) Show SMILES NCCc1ccc(O)c(O)c1 Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	n/a	44	n/a	n/a	n/a	n/a
University of Texas Medical Branch Curated by ChEMBL					Assay Description Agonist activity at wild type human D1R expressed in HEK293 cells assessed as effect on cAMP accumulation incubated for 10 mins by Gs-cAMP Glosensor ...				ACS Med Chem Lett 10: 792-799 (2019) Article DOI: 10.1021/acsmedchemlett.9b00050 BindingDB Entry DOI: 10.7270/Q26W9FKV
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50018958 (CHEBI:75401 | QUINPIROLE) Show SMILES [H][C@]12CCCN(CCC)[C@]1([H])Cc1c[nH]nc1C2 Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.30	n/a	n/a	n/a	n/a
University of Texas Medical Branch Curated by ChEMBL					Assay Description Agonist activity at D2R (unknown origin) expressed in HEK293 cells assessed as effect on cAMP accumulation incubated for 10 mins by Gi-cAMP Glosensor...				ACS Med Chem Lett 10: 792-799 (2019) Article DOI: 10.1021/acsmedchemlett.9b00050 BindingDB Entry DOI: 10.7270/Q26W9FKV
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50535446 (CHEMBL4565185) Show SMILES Cc1nc2CCCc2c(Oc2ccc(c(C)c2)-c2c(C)c(=O)[nH]c(=O)n2C)n1 |(33.3,-46.72,;31.96,-45.95,;30.63,-46.73,;29.29,-45.96,;27.83,-46.44,;26.92,-45.2,;27.82,-43.95,;29.29,-44.42,;30.63,-43.65,;30.63,-42.11,;31.96,-41.35,;33.3,-42.12,;34.64,-41.34,;34.63,-39.79,;33.29,-39.03,;33.29,-37.49,;31.97,-39.8,;35.96,-39.02,;35.95,-37.48,;34.61,-36.72,;37.29,-36.71,;37.28,-35.17,;38.62,-37.48,;38.62,-39.02,;39.95,-39.79,;37.29,-39.79,;37.29,-41.33,;31.96,-44.42,)| Show InChI InChI=1S/C21H22N4O3/c1-11-10-14(28-20-16-6-5-7-17(16)22-13(3)23-20)8-9-15(11)18-12(2)19(26)24-21(27)25(18)4/h8-10H,5-7H2,1-4H3,(H,24,26,27)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	580	n/a	n/a	n/a	n/a
University of Texas Medical Branch Curated by ChEMBL					Assay Description Agonist activity at wild type human D1R expressed in HEK293 cells assessed as effect on cAMP accumulation incubated for 10 mins by Gs-cAMP Glosensor ...				ACS Med Chem Lett 10: 792-799 (2019) Article DOI: 10.1021/acsmedchemlett.9b00050 BindingDB Entry DOI: 10.7270/Q26W9FKV
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM86282 (6-Chloro-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]az...) Show SMILES Oc1cc2C(CNCCc2c(Cl)c1O)c1ccccc1 Show InChI InChI=1S/C16H16ClNO2/c17-15-11-6-7-18-9-13(10-4-2-1-3-5-10)12(11)8-14(19)16(15)20/h1-5,8,13,18-20H,6-7,9H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	360	n/a	n/a	n/a	n/a
University of Texas Medical Branch Curated by ChEMBL					Assay Description Agonist activity at wild type human D1R expressed in HEK293 cells assessed as effect on beta-arrestin2 recruitment by PRESTO-Tango beta-arrestin2 rec...				ACS Med Chem Lett 10: 792-799 (2019) Article DOI: 10.1021/acsmedchemlett.9b00050 BindingDB Entry DOI: 10.7270/Q26W9FKV
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50535448 (CHEMBL4469983) Show SMILES Cc1n[nH]c(=O)c(C)c1-c1ccc(Oc2nccc3occc23)cc1F |(54.06,-8.22,;54.05,-6.68,;55.38,-5.9,;55.37,-4.36,;54.02,-3.6,;54.01,-2.06,;52.7,-4.38,;51.36,-3.62,;52.71,-5.91,;51.39,-6.69,;50.04,-5.93,;48.71,-6.71,;48.73,-8.24,;47.4,-9.01,;47.41,-10.55,;48.74,-11.32,;48.75,-12.87,;47.41,-13.64,;46.07,-12.87,;44.61,-13.34,;43.7,-12.1,;44.61,-10.85,;46.08,-11.33,;50.06,-9.01,;51.39,-8.23,;52.73,-9,)| Show InChI InChI=1S/C19H14FN3O3/c1-10-17(11(2)22-23-18(10)24)13-4-3-12(9-15(13)20)26-19-14-6-8-25-16(14)5-7-21-19/h3-9H,1-2H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a
University of Texas Medical Branch Curated by ChEMBL					Assay Description Agonist activity at wild type human D1R expressed in HEK293 cells assessed as effect on cAMP accumulation incubated for 10 mins by Gs-cAMP Glosensor ...				ACS Med Chem Lett 10: 792-799 (2019) Article DOI: 10.1021/acsmedchemlett.9b00050 BindingDB Entry DOI: 10.7270/Q26W9FKV
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50535449 (CHEMBL4573462) Show SMILES Fc1cc(Oc2nccc3occc23)ccc1Nc1cccnc1 Show InChI InChI=1S/C18H12FN3O2/c19-15-10-13(3-4-16(15)22-12-2-1-7-20-11-12)24-18-14-6-9-23-17(14)5-8-21-18/h1-11,22H	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
University of Texas Medical Branch Curated by ChEMBL					Assay Description Agonist activity at wild type human D1R expressed in HEK293 cells assessed as effect on cAMP accumulation incubated for 10 mins by Gs-cAMP Glosensor ...				ACS Med Chem Lett 10: 792-799 (2019) Article DOI: 10.1021/acsmedchemlett.9b00050 BindingDB Entry DOI: 10.7270/Q26W9FKV
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50535447 (CHEMBL4453318) Show SMILES Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)c(=O)[nH]c(=O)n1C |(48.67,-21.36,;48.68,-22.9,;47.35,-23.68,;47.35,-25.22,;46.01,-25.99,;46.01,-27.53,;47.34,-28.29,;47.35,-29.83,;46.01,-30.61,;44.67,-29.83,;43.21,-30.31,;42.3,-29.07,;43.2,-27.83,;44.67,-28.3,;48.68,-25.99,;50.02,-25.22,;50.01,-23.67,;51.34,-22.89,;51.33,-21.36,;49.99,-20.59,;52.67,-20.58,;52.67,-19.04,;54,-21.35,;54,-22.89,;55.33,-23.66,;52.67,-23.66,;52.68,-25.2,)| Show InChI InChI=1S/C20H17N3O4/c1-11-10-13(27-19-15-7-9-26-16(15)6-8-21-19)4-5-14(11)17-12(2)18(24)22-20(25)23(17)3/h4-10H,1-3H3,(H,22,24,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	0.300	n/a	n/a	n/a	n/a
University of Texas Medical Branch Curated by ChEMBL					Assay Description Agonist activity at wild type human D1R expressed in HEK293 cells assessed as effect on cAMP accumulation incubated for 10 mins by Gs-cAMP Glosensor ...				ACS Med Chem Lett 10: 792-799 (2019) Article DOI: 10.1021/acsmedchemlett.9b00050 BindingDB Entry DOI: 10.7270/Q26W9FKV
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50535450 (CHEMBL4458646) Show SMILES Cc1cc(Oc2ncnc3sc4CCCc4c23)ccc1-c1c(C)c(=O)[nH]c(=O)n1C |(68.58,-21.37,;68.58,-22.91,;67.26,-23.68,;67.25,-25.22,;65.92,-25.99,;65.92,-27.53,;67.25,-28.29,;67.25,-29.83,;65.92,-30.61,;64.58,-29.84,;63.12,-30.32,;62.21,-29.08,;60.75,-28.61,;60.74,-27.08,;62.19,-26.6,;63.1,-27.83,;64.58,-28.3,;68.59,-25.99,;69.93,-25.22,;69.92,-23.67,;71.25,-22.9,;71.24,-21.36,;69.9,-20.59,;72.57,-20.59,;72.57,-19.05,;73.91,-21.36,;73.91,-22.9,;75.24,-23.67,;72.58,-23.66,;72.58,-25.2,)| Show InChI InChI=1S/C22H20N4O3S/c1-11-9-13(7-8-14(11)18-12(2)19(27)25-22(28)26(18)3)29-20-17-15-5-4-6-16(15)30-21(17)24-10-23-20/h7-10H,4-6H2,1-3H3,(H,25,27,28)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
University of Texas Medical Branch Curated by ChEMBL					Assay Description Agonist activity at wild type human D1R expressed in HEK293 cells assessed as effect on cAMP accumulation incubated for 10 mins by Gs-cAMP Glosensor ...				ACS Med Chem Lett 10: 792-799 (2019) Article DOI: 10.1021/acsmedchemlett.9b00050 BindingDB Entry DOI: 10.7270/Q26W9FKV
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50535451 (CHEMBL4470808) Show SMILES CC(=O)Nc1cccnc1Oc1ccc(c(C)c1)-c1c(C)c(=O)[nH]c(=O)n1C |(50.52,-44.17,;51.85,-44.94,;51.85,-46.48,;53.19,-44.17,;54.52,-44.94,;54.52,-46.48,;55.86,-47.25,;57.2,-46.48,;57.19,-44.94,;55.86,-44.18,;55.86,-42.64,;57.2,-41.87,;58.53,-42.64,;59.87,-41.87,;59.86,-40.32,;58.53,-39.55,;58.52,-38.01,;57.2,-40.32,;61.19,-39.54,;61.18,-38.01,;59.84,-37.24,;62.52,-37.23,;62.52,-35.69,;63.85,-38,;63.85,-39.54,;65.19,-40.31,;62.52,-40.31,;62.53,-41.85,)| Show InChI InChI=1S/C20H20N4O4/c1-11-10-14(28-19-16(22-13(3)25)6-5-9-21-19)7-8-15(11)17-12(2)18(26)23-20(27)24(17)4/h5-10H,1-4H3,(H,22,25)(H,23,26,27)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	610	n/a	n/a	n/a	n/a
University of Texas Medical Branch Curated by ChEMBL					Assay Description Agonist activity at wild type human D1R expressed in HEK293 cells assessed as effect on cAMP accumulation incubated for 10 mins by Gs-cAMP Glosensor ...				ACS Med Chem Lett 10: 792-799 (2019) Article DOI: 10.1021/acsmedchemlett.9b00050 BindingDB Entry DOI: 10.7270/Q26W9FKV
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM160875 (US10093655, Example 45 | US11014909, Example 45 | ...) Show SMILES Cc1cc(Oc2ncccc2OC(F)F)ccc1-c1c(C)c(=O)[nH]c(=O)n1C |(.67,3.47,;.67,1.93,;-.67,1.15,;-.67,-.38,;-2,-1.15,;-2,-2.69,;-.67,-3.47,;-.67,-5,;-2,-5.78,;-3.33,-5,;-3.33,-3.47,;-4.67,-2.69,;-6,-3.47,;-7.34,-2.69,;-6,-5,;.67,-1.15,;2,-.38,;2,1.15,;3.33,1.93,;3.33,3.47,;2,4.23,;4.67,4.23,;4.67,5.78,;6,3.47,;6,1.93,;7.34,1.15,;4.67,1.15,;4.67,-.38,)| Show InChI InChI=1S/C19H17F2N3O4/c1-10-9-12(27-17-14(28-18(20)21)5-4-8-22-17)6-7-13(10)15-11(2)16(25)23-19(26)24(15)3/h4-9,18H,1-3H3,(H,23,25,26)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	5.30	n/a	n/a	n/a	n/a
University of Texas Medical Branch Curated by ChEMBL					Assay Description Agonist activity at wild type human D1R expressed in HEK293 cells assessed as effect on cAMP accumulation incubated for 10 mins by Gs-cAMP Glosensor ...				ACS Med Chem Lett 10: 792-799 (2019) Article DOI: 10.1021/acsmedchemlett.9b00050 BindingDB Entry DOI: 10.7270/Q26W9FKV
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50535452 (CHEMBL4445861) Show SMILES Cc1c(-c2ccc3N(CCc3c2)c2ncccc2OC(F)F)n(C)c(=O)[nH]c1=O Show InChI InChI=1S/C20H18F2N4O3/c1-11-16(25(2)20(28)24-18(11)27)13-5-6-14-12(10-13)7-9-26(14)17-15(29-19(21)22)4-3-8-23-17/h3-6,8,10,19H,7,9H2,1-2H3,(H,24,27,28)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
University of Texas Medical Branch Curated by ChEMBL					Assay Description Agonist activity at wild type human D1R expressed in HEK293 cells assessed as effect on cAMP accumulation incubated for 10 mins by Gs-cAMP Glosensor ...				ACS Med Chem Lett 10: 792-799 (2019) Article DOI: 10.1021/acsmedchemlett.9b00050 BindingDB Entry DOI: 10.7270/Q26W9FKV
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50535453 (CHEMBL4475239) Show SMILES Cc1c2CCN(c2ccc1-c1c(C)c(=O)[nH]c(=O)n1C)c1nccc2occc12 |(56.94,-6.64,;56.94,-8.18,;58.27,-8.95,;59.74,-8.46,;60.66,-9.71,;59.76,-10.97,;58.28,-10.5,;56.94,-11.27,;55.61,-10.49,;55.62,-8.95,;54.29,-8.18,;54.29,-6.64,;55.62,-5.88,;52.96,-5.86,;52.96,-4.32,;51.63,-6.64,;51.63,-8.18,;50.3,-8.95,;52.96,-8.94,;52.96,-10.48,;60.24,-12.43,;61.75,-12.74,;62.23,-14.19,;61.21,-15.35,;59.7,-15.04,;58.47,-15.95,;57.22,-15.06,;57.68,-13.6,;59.21,-13.59,)| Show InChI InChI=1S/C22H20N4O3/c1-12-14-7-10-26(20-16-8-11-29-18(16)6-9-23-20)17(14)5-4-15(12)19-13(2)21(27)24-22(28)25(19)3/h4-6,8-9,11H,7,10H2,1-3H3,(H,24,27,28)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	360	n/a	n/a	n/a	n/a
University of Texas Medical Branch Curated by ChEMBL					Assay Description Agonist activity at wild type human D1R expressed in HEK293 cells assessed as effect on cAMP accumulation incubated for 10 mins by Gs-cAMP Glosensor ...				ACS Med Chem Lett 10: 792-799 (2019) Article DOI: 10.1021/acsmedchemlett.9b00050 BindingDB Entry DOI: 10.7270/Q26W9FKV
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50535454 (CHEMBL4559240) Show SMILES Cc1c2CCN(c2ccc1-c1c(C)c(=O)[nH]c(=O)n1C)c1ncccc1OC(F)F |(77.02,-6.66,;77.03,-8.2,;78.36,-8.97,;79.83,-8.48,;80.74,-9.73,;79.84,-10.98,;78.37,-10.51,;77.02,-11.28,;75.69,-10.51,;75.7,-8.97,;74.37,-8.2,;74.37,-6.66,;75.7,-5.89,;73.04,-5.88,;73.04,-4.34,;71.71,-6.66,;71.71,-8.2,;70.38,-8.97,;73.04,-8.96,;73.04,-10.5,;80.33,-12.44,;81.83,-12.75,;82.32,-14.21,;81.29,-15.37,;79.78,-15.06,;79.29,-13.6,;77.78,-13.29,;76.76,-14.44,;75.25,-14.14,;77.25,-15.91,)| Show InChI InChI=1S/C21H20F2N4O3/c1-11-13-8-10-27(18-16(30-20(22)23)5-4-9-24-18)15(13)7-6-14(11)17-12(2)19(28)25-21(29)26(17)3/h4-7,9,20H,8,10H2,1-3H3,(H,25,28,29)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	950	n/a	n/a	n/a	n/a
University of Texas Medical Branch Curated by ChEMBL					Assay Description Agonist activity at wild type human D1R expressed in HEK293 cells assessed as effect on cAMP accumulation incubated for 10 mins by Gs-cAMP Glosensor ...				ACS Med Chem Lett 10: 792-799 (2019) Article DOI: 10.1021/acsmedchemlett.9b00050 BindingDB Entry DOI: 10.7270/Q26W9FKV
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM55121 (3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...) Show SMILES NCCc1ccc(O)c(O)c1 Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a
University of Texas Medical Branch Curated by ChEMBL					Assay Description Agonist activity at wild type human D1R expressed in HEK293 cells assessed as effect on beta-arrestin2 recruitment by PRESTO-Tango beta-arrestin2 rec...				ACS Med Chem Lett 10: 792-799 (2019) Article DOI: 10.1021/acsmedchemlett.9b00050 BindingDB Entry DOI: 10.7270/Q26W9FKV
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50465935 (CHEMBL4277264) Show SMILES Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 |(29.98,-5.28,;29.99,-6.82,;28.67,-7.59,;28.68,-9.13,;27.35,-9.9,;27.36,-11.44,;28.69,-12.2,;28.7,-13.75,;27.36,-14.52,;26.03,-13.75,;24.57,-14.23,;23.66,-13,;24.55,-11.74,;26.02,-12.21,;30.02,-9.9,;31.35,-9.12,;31.34,-7.58,;32.66,-6.8,;34,-7.57,;34.01,-9.11,;35.33,-6.79,;35.32,-5.25,;33.97,-4.49,;33.64,-2.99,;32.12,-2.84,;31.5,-4.24,;32.64,-5.27,)| Show InChI InChI=1S/C21H16N4O2/c1-13-11-15(27-21-17-6-10-26-18(17)5-7-23-21)3-4-16(13)20-14(2)24-12-19-22-8-9-25(19)20/h3-12H,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	320	n/a	n/a	n/a	n/a
University of Texas Medical Branch Curated by ChEMBL					Assay Description Agonist activity at wild type human D1R expressed in HEK293 cells assessed as effect on beta-arrestin2 recruitment by PRESTO-Tango beta-arrestin2 rec...				ACS Med Chem Lett 10: 792-799 (2019) Article DOI: 10.1021/acsmedchemlett.9b00050 BindingDB Entry DOI: 10.7270/Q26W9FKV
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50523450 (CHEMBL4437012) Show SMILES Cc1cnnc(C)c1-c1ccc(Oc2nccc3occc23)cc1C |(41.44,-20.14,;42.78,-20.9,;44.1,-20.13,;45.45,-20.89,;45.45,-22.43,;44.12,-23.21,;44.13,-24.75,;42.79,-22.44,;41.46,-23.21,;41.47,-24.75,;40.13,-25.53,;38.81,-24.75,;37.47,-25.53,;37.48,-27.07,;38.81,-27.83,;38.82,-29.38,;37.48,-30.15,;36.15,-29.38,;34.67,-29.86,;33.77,-28.6,;34.68,-27.35,;36.15,-27.83,;38.79,-23.22,;40.12,-22.45,;40.11,-20.91,)| Show InChI InChI=1S/C20H17N3O2/c1-12-10-15(25-20-17-7-9-24-18(17)6-8-21-20)4-5-16(12)19-13(2)11-22-23-14(19)3/h4-11H,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a
University of Texas Medical Branch Curated by ChEMBL					Assay Description Agonist activity at wild type human D1R expressed in HEK293 cells assessed as effect on beta-arrestin2 recruitment by PRESTO-Tango beta-arrestin2 rec...				ACS Med Chem Lett 10: 792-799 (2019) Article DOI: 10.1021/acsmedchemlett.9b00050 BindingDB Entry DOI: 10.7270/Q26W9FKV
					More data for this Ligand-Target Pair
G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM50554904 (CHEMBL4761550 | US20240059655, Compound PW0955) Show SMILES OCCN(CCO)C(=O)c1cccc2N(CCc12)c1cc(Cc2cc(F)cc(c2)C(F)(F)F)ncn1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	673	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human GPR52 expressed in HEK293 cells assessed as increase in cAMP levels incubated for 15 mins by Glosensor cAMP assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01498 BindingDB Entry DOI: 10.7270/Q22N55XV
					More data for this Ligand-Target Pair
G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM50554905 (CHEMBL4741318 | US20240059655, Compound PW0948) Show SMILES FCCNC(=O)c1cccc2N(CCc12)c1cc(Cc2cc(F)cc(c2)C(F)(F)F)ncn1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	431	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human GPR52 expressed in HEK293 cells assessed as increase in cAMP levels incubated for 15 mins by Glosensor cAMP assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01498 BindingDB Entry DOI: 10.7270/Q22N55XV
					More data for this Ligand-Target Pair
G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM50554906 (CHEMBL4788591 | US20240059655, Compound PW0940) Show SMILES OC1CN(C1)C(=O)c1cccc2N(CCc12)c1cc(Cc2cc(F)cc(c2)C(F)(F)F)ncn1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	760	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human GPR52 expressed in HEK293 cells assessed as increase in cAMP levels incubated for 15 mins by Glosensor cAMP assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01498 BindingDB Entry DOI: 10.7270/Q22N55XV
					More data for this Ligand-Target Pair
G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM50554907 (CHEMBL4754346 | US20240059655, Compound PW0939) Show SMILES OCCCCNC(=O)c1cccc2N(CCc12)c1cc(Cc2cc(F)cc(c2)C(F)(F)F)ncn1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	399	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human GPR52 expressed in HEK293 cells assessed as increase in cAMP levels incubated for 15 mins by Glosensor cAMP assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01498 BindingDB Entry DOI: 10.7270/Q22N55XV
					More data for this Ligand-Target Pair
G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM50554908 (CHEMBL4740473 | US20240059655, Compound PW0938) Show SMILES OCCCNC(=O)c1cccc2N(CCc12)c1cc(Cc2cc(F)cc(c2)C(F)(F)F)ncn1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	275	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human GPR52 expressed in HEK293 cells assessed as increase in cAMP levels incubated for 15 mins by Glosensor cAMP assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01498 BindingDB Entry DOI: 10.7270/Q22N55XV
					More data for this Ligand-Target Pair
G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM50554909 (CHEMBL4748048 | US20240059655, Compound PW0937) Show SMILES COCCNC(=O)c1cccc2N(CCc12)c1cc(Cc2cc(F)cc(c2)C(F)(F)F)ncn1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	489	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human GPR52 expressed in HEK293 cells assessed as increase in cAMP levels incubated for 15 mins by Glosensor cAMP assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01498 BindingDB Entry DOI: 10.7270/Q22N55XV
					More data for this Ligand-Target Pair
G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM50554910 (CHEMBL4755614 | US20240059655, Compound PW0936) Show SMILES OCC(CO)NC(=O)c1cccc2N(CCc12)c1cc(Cc2cc(F)cc(c2)C(F)(F)F)ncn1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	346	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human GPR52 expressed in HEK293 cells assessed as increase in cAMP levels incubated for 15 mins by Glosensor cAMP assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01498 BindingDB Entry DOI: 10.7270/Q22N55XV
					More data for this Ligand-Target Pair
G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM50554911 (CHEMBL4751311 | US20240059655, Compound PW0904) Show SMILES OCCNC(=O)c1cccc2N(CCc12)c1cc(Sc2cccc(c2)C(F)(F)F)ncn1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	371	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human GPR52 expressed in HEK293 cells assessed as increase in cAMP levels incubated for 15 mins by Glosensor cAMP assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01498 BindingDB Entry DOI: 10.7270/Q22N55XV
					More data for this Ligand-Target Pair
G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM50554912 (CHEMBL4779168 | US20240059655, Compound PW0903) Show SMILES OCCNC(=O)c1cccc2N(CCc12)c1cc(Oc2cccc(c2)C(F)(F)F)ncn1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human GPR52 expressed in HEK293 cells assessed as increase in cAMP levels incubated for 15 mins by Glosensor cAMP assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01498 BindingDB Entry DOI: 10.7270/Q22N55XV
					More data for this Ligand-Target Pair
G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM50554913 (CHEMBL4739868 | US20240059655, Compound PW0898) Show SMILES OCCNC(=O)c1cccc2N(CCc12)c1cc(Nc2cccc(c2)C(F)(F)F)ncn1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.11E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human GPR52 expressed in HEK293 cells assessed as increase in cAMP levels incubated for 15 mins by Glosensor cAMP assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01498 BindingDB Entry DOI: 10.7270/Q22N55XV
					More data for this Ligand-Target Pair
G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM50554914 (CHEMBL4790115 | US20240059655, Compound PW0875) Show SMILES OCCNC(=O)c1cccc2N(CCc12)c1cc(ncn1)C(F)c1cccc(c1)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	557	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human GPR52 expressed in HEK293 cells assessed as increase in cAMP levels incubated for 15 mins by Glosensor cAMP assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01498 BindingDB Entry DOI: 10.7270/Q22N55XV
					More data for this Ligand-Target Pair
G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM50554915 (CHEMBL4797286) Show SMILES OCCNC(=O)c1cccc2N(CCc12)c1cc(ncn1)C(F)c1cc(F)cc(c1)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	330	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human GPR52 expressed in HEK293 cells assessed as increase in cAMP levels incubated for 15 mins by Glosensor cAMP assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01498 BindingDB Entry DOI: 10.7270/Q22N55XV
					More data for this Ligand-Target Pair
G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM50554916 (CHEMBL4754435 | US20240059655, Compound PW0781) Show SMILES OCCNC(=O)c1cccc2N(CCc12)c1nccc(n1)C(F)c1cc(F)cc(c1)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	329	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human GPR52 expressed in HEK293 cells assessed as increase in cAMP levels incubated for 15 mins by Glosensor cAMP assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01498 BindingDB Entry DOI: 10.7270/Q22N55XV
					More data for this Ligand-Target Pair
G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM50554917 (CHEMBL4781520) Show SMILES OCCNC(=O)c1cccc2N(CCc12)c1cc(ncn1)C(O)c1cccc(c1)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	560	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human GPR52 expressed in HEK293 cells assessed as increase in cAMP levels incubated for 15 mins by Glosensor cAMP assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01498 BindingDB Entry DOI: 10.7270/Q22N55XV
					More data for this Ligand-Target Pair

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