Compile Data Set for Download or QSAR

Found 155 hits with Last Name = 'o neil' and Initial = 'sv'   

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))	BDBM160878 (US10093655, Example 48 | US11014909, Example 48 | ...) Show SMILES Cc1cc(Oc2ncccc2I)ccc1-c1c(C)n[nH]c(=O)c1C |(,3.47,;,1.93,;-1.33,1.15,;-1.33,-.38,;-2.67,-1.15,;-2.67,-2.69,;-1.33,-3.47,;-1.33,-5,;-2.67,-5.78,;-4,-5,;-4,-3.47,;-5.33,-2.69,;,-1.15,;1.33,-.38,;1.33,1.15,;2.67,1.93,;4,1.15,;4,-.38,;5.33,1.93,;5.33,3.47,;4,4.23,;4,5.78,;2.67,3.47,;1.33,4.23,)| Show InChI InChI=1S/C18H16IN3O2/c1-10-9-13(24-18-15(19)5-4-8-20-18)6-7-14(10)16-11(2)17(23)22-21-12(16)3/h4-9H,1-3H3,(H,22,23)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.571	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., "Di...				US Patent US10093655 (2018) BindingDB Entry DOI: 10.7270/Q2SQ92F2
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM160912 (US10093655, Example 2 | US11014909, Example 2 | US...) Show SMILES Cc1cc(Oc2ncccc2C2CC2)ccc1-c1c(C)c(=O)[nH]c(=O)n1C |(5.9,5.18,;4.56,5.95,;3.23,5.18,;1.9,5.95,;.56,5.18,;-.77,5.95,;-.77,7.49,;-2.1,8.26,;-3.44,7.49,;-3.44,5.95,;-2.1,5.18,;-2.1,3.64,;-1.33,2.31,;-2.87,2.31,;1.9,7.49,;3.23,8.26,;4.56,7.49,;5.9,8.26,;5.9,9.8,;4.56,10.57,;7.23,10.57,;7.23,12.11,;8.57,9.8,;8.57,8.26,;9.9,7.49,;7.23,7.49,;7.23,5.95,)| Show InChI InChI=1S/C21H21N3O3/c1-12-11-15(27-20-17(14-6-7-14)5-4-10-22-20)8-9-16(12)18-13(2)19(25)23-21(26)24(18)3/h4-5,8-11,14H,6-7H2,1-3H3,(H,23,25,26)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.11	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., "Di...				US Patent US10093655 (2018) BindingDB Entry DOI: 10.7270/Q2SQ92F2
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM160861 (US10093655, Example 31 | US11014909, Example 31 | ...) Show SMILES Cc1ccnc(Oc2ccc(c(C)c2)-c2c(C)c(=O)[nH]c(=O)n2C)c1Cl |(-6,-5.78,;-4.67,-5,;-3.33,-5.78,;-2,-5,;-2,-3.47,;-3.33,-2.69,;-3.33,-1.15,;-2,-.38,;-.67,-1.15,;.67,-.38,;.67,1.15,;-.67,1.93,;-.67,3.47,;-2,1.15,;2,1.93,;2,3.47,;.67,4.23,;3.33,4.23,;3.33,5.78,;4.67,3.47,;4.67,1.93,;6,1.15,;3.33,1.15,;3.33,-.38,;-4.67,-3.47,;-6,-2.69,)| Show InChI InChI=1S/C19H18ClN3O3/c1-10-7-8-21-18(15(10)20)26-13-5-6-14(11(2)9-13)16-12(3)17(24)22-19(25)23(16)4/h5-9H,1-4H3,(H,22,24,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.61	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., "Di...				US Patent US10093655 (2018) BindingDB Entry DOI: 10.7270/Q2SQ92F2
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM160894 (US10093655, Example 64 | US11014909, Example 64 | ...) Show SMILES COc1ccnc(Oc2ccc(c(C)c2)-c2c(C)n[nH]c(=O)c2C)c1C(F)(F)F |(-5.33,-6.54,;-5.33,-5,;-4,-4.24,;-2.67,-5.01,;-1.33,-4.24,;-1.33,-2.7,;-2.67,-1.93,;-2.67,-.39,;-1.33,.38,;,-.39,;1.33,.38,;1.33,1.92,;,2.69,;,4.23,;-1.33,1.92,;2.67,2.69,;4,1.92,;4,.38,;5.33,2.69,;5.33,4.23,;4,5,;4,6.54,;2.67,4.23,;1.33,5,;-4,-2.7,;-5.33,-1.93,;-6.67,-1.16,;-5.33,-.39,;-6.67,-2.7,)| Show InChI InChI=1S/C20H18F3N3O3/c1-10-9-13(5-6-14(10)16-11(2)18(27)26-25-12(16)3)29-19-17(20(21,22)23)15(28-4)7-8-24-19/h5-9H,1-4H3,(H,26,27)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.17	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., "Di...				US Patent US10093655 (2018) BindingDB Entry DOI: 10.7270/Q2SQ92F2
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM337378 (5-{4-[(3-Hydroxy-2,3-dihydrofuro[3,2-c]pyridin-4-y...) Show SMILES Cc1cc(Oc2nccc3OCC(O)c23)ccc1-c1c(C)n[nH]c(=O)c1C |(4.61,-4.87,;4.61,-6.41,;3.28,-7.18,;3.28,-8.72,;1.94,-9.49,;1.94,-11.03,;3.28,-11.8,;3.28,-13.34,;1.94,-14.11,;.61,-13.34,;-.86,-13.82,;-1.76,-12.57,;-.86,-11.33,;-1.63,-9.99,;.61,-11.8,;4.61,-9.49,;5.94,-8.72,;5.94,-7.18,;7.28,-6.41,;8.61,-7.18,;8.61,-8.72,;9.94,-6.41,;9.94,-4.87,;8.61,-4.1,;8.61,-2.56,;7.28,-4.87,;5.94,-4.1,)| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description D1 binding assays were performed using over-expressing LTK human cell lines. To determine basic assay parameters, ligand concentrations were determin...				US Patent US9745317 (2017) BindingDB Entry DOI: 10.7270/Q2W95CBQ
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM160871 (US10093655, Example 41 | US11014909, Example 41 | ...) Show SMILES Cc1ccnc(Oc2ccc(c(C)c2)-c2c(C)n[nH]c(=O)c2C)c1Cl |(-5.33,-5.77,;-4,-5,;-2.67,-5.78,;-1.33,-5,;-1.33,-3.47,;-2.67,-2.69,;-2.67,-1.15,;-1.33,-.38,;,-1.15,;1.33,-.38,;1.33,1.15,;,1.93,;,3.47,;-1.33,1.15,;2.67,1.93,;4,1.15,;4,-.38,;5.33,1.93,;5.33,3.47,;4,4.23,;4,5.78,;2.67,3.47,;1.33,4.23,;-4,-3.47,;-5.33,-2.69,)| Show InChI InChI=1S/C19H18ClN3O2/c1-10-7-8-21-19(17(10)20)25-14-5-6-15(11(2)9-14)16-12(3)18(24)23-22-13(16)4/h5-9H,1-4H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5.41	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., "Di...				US Patent US10093655 (2018) BindingDB Entry DOI: 10.7270/Q2SQ92F2
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM289103 ((−)-6-(4-{[3-(Difluoromethoxy)pyridin-2-yl]o...) Show SMILES Cc1c(-c2ccc(Oc3ncccc3OC(F)F)cc2)n(C)c(=O)nc1=O Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.91	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., "Di...				US Patent US10093655 (2018) BindingDB Entry DOI: 10.7270/Q2SQ92F2
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM160876 (US10093655, Example 46 | US11014909, Example 46 | ...) Show SMILES Cc1cc(Oc2ncccc2C2CC2)ccc1-c1c(C)n[nH]c(=O)c1C |(.77,3.47,;.77,1.93,;-.56,1.15,;-.56,-.38,;-1.9,-1.15,;-1.9,-2.69,;-.56,-3.47,;-.56,-5,;-1.9,-5.78,;-3.23,-5,;-3.23,-3.47,;-4.56,-2.69,;-5.33,-1.36,;-6.1,-2.69,;.77,-1.15,;2.1,-.38,;2.1,1.15,;3.44,1.93,;4.77,1.15,;4.77,-.38,;6.1,1.93,;6.1,3.47,;4.77,4.23,;4.77,5.78,;3.44,3.47,;2.1,4.23,)| Show InChI InChI=1S/C21H21N3O2/c1-12-11-16(26-21-18(15-6-7-15)5-4-10-22-21)8-9-17(12)19-13(2)20(25)24-23-14(19)3/h4-5,8-11,15H,6-7H2,1-3H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	7.66	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., "Di...				US Patent US10093655 (2018) BindingDB Entry DOI: 10.7270/Q2SQ92F2
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM337370 (5-[4-(2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-4-yloxy...) Show SMILES Cc1cc(Oc2nccc3NCCc23)ccc1-c1c(C)n[nH]c(=O)c1C |(7.59,6.4,;7.59,4.86,;6.26,4.09,;6.26,2.55,;4.92,1.78,;4.92,.24,;6.26,-.53,;6.26,-2.07,;4.92,-2.84,;3.59,-2.07,;2.13,-2.55,;1.22,-1.3,;2.13,-.06,;3.59,-.53,;7.59,1.78,;8.92,2.55,;8.92,4.09,;10.26,4.86,;11.59,4.09,;11.59,2.55,;12.93,4.86,;12.93,6.4,;11.59,7.17,;11.59,8.71,;10.26,6.4,;8.92,7.17,)| Show InChI InChI=1S/C20H20N4O2/c1-11-10-14(26-20-16-6-8-21-17(16)7-9-22-20)4-5-15(11)18-12(2)19(25)24-23-13(18)3/h4-5,7,9-10,21H,6,8H2,1-3H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description D1 binding assays were performed using over-expressing LTK human cell lines. To determine basic assay parameters, ligand concentrations were determin...				US Patent US9745317 (2017) BindingDB Entry DOI: 10.7270/Q2W95CBQ
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM160867 (US10093655, Example 37 | US11014909, Example 37 | ...) Show SMILES CC(=C)c1cccnc1Oc1ccc(c(C)c1)-c1c(C)c(=O)[nH]c(=O)n1C |(-6.67,-3.47,;-5.33,-2.69,;-5.33,-1.15,;-4,-3.47,;-4,-5,;-2.67,-5.78,;-1.33,-5,;-1.33,-3.47,;-2.67,-2.69,;-2.67,-1.15,;-1.33,-.38,;,-1.15,;1.33,-.38,;1.33,1.15,;,1.93,;,3.47,;-1.33,1.15,;2.67,1.93,;2.67,3.47,;1.33,4.23,;4,4.23,;4,5.78,;5.33,3.47,;5.33,1.93,;6.67,1.15,;4,1.15,;4,-.38,)| Show InChI InChI=1S/C21H21N3O3/c1-12(2)16-7-6-10-22-20(16)27-15-8-9-17(13(3)11-15)18-14(4)19(25)23-21(26)24(18)5/h6-11H,1H2,2-5H3,(H,23,25,26)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	8.42	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., "Di...				US Patent US10093655 (2018) BindingDB Entry DOI: 10.7270/Q2SQ92F2
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM289097 ((−)-1,5-Dimethyl-6-(2-methyl-4-{[3-(trifluor...) Show SMILES Cc1cc(Oc2ncccc2C(F)(F)F)ccc1-c1c(C)c(=O)nc(=O)n1C |(-14.73,-19.08,;-14.73,-20.62,;-16.07,-21.39,;-16.07,-22.93,;-17.4,-23.7,;-17.4,-25.24,;-16.07,-26.01,;-16.07,-27.55,;-17.4,-28.32,;-18.74,-27.55,;-18.74,-26.01,;-20.07,-25.24,;-21.4,-26.01,;-20.07,-23.7,;-20.07,-26.78,;-14.73,-23.7,;-13.4,-22.93,;-13.4,-21.39,;-12.07,-20.62,;-12.07,-19.08,;-13.4,-18.31,;-10.73,-18.31,;-10.73,-16.77,;-9.4,-19.08,;-9.4,-20.62,;-8.07,-21.39,;-10.73,-21.39,;-10.73,-22.93,)| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	8.54	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., "Di...				US Patent US10093655 (2018) BindingDB Entry DOI: 10.7270/Q2SQ92F2
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM160884 (US10093655, Example 55 | US11014909, Example 55 | ...) Show SMILES Cc1cc(Oc2ncccc2Cl)ccc1-c1c(C)c(=O)[nH]c(=O)n1C |(-.67,3.47,;-.67,1.93,;-2,1.15,;-2,-.38,;-3.33,-1.15,;-3.33,-2.69,;-2,-3.47,;-2,-5,;-3.33,-5.78,;-4.67,-5,;-4.67,-3.47,;-6,-2.69,;-.67,-1.15,;.67,-.38,;.67,1.15,;2,1.93,;2,3.47,;.67,4.23,;3.33,4.23,;3.33,5.78,;4.67,3.47,;4.67,1.93,;6,1.15,;3.33,1.15,;3.33,-.38,)| Show InChI InChI=1S/C18H16ClN3O3/c1-10-9-12(25-17-14(19)5-4-8-20-17)6-7-13(10)15-11(2)16(23)21-18(24)22(15)3/h4-9H,1-3H3,(H,21,23,24)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	9.33	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., "Di...				US Patent US10093655 (2018) BindingDB Entry DOI: 10.7270/Q2SQ92F2
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM160873 (US10093655, Example 43 | US11014909, Example 43 | ...) Show SMILES Cc1cc(Oc2ncccc2Br)ccc1-c1c(C)n[nH]c(=O)c1C |(,3.47,;,1.93,;-1.33,1.15,;-1.33,-.38,;-2.67,-1.15,;-2.67,-2.69,;-1.33,-3.47,;-1.33,-5,;-2.67,-5.78,;-4,-5,;-4,-3.47,;-5.33,-2.69,;,-1.15,;1.33,-.38,;1.33,1.15,;2.67,1.93,;4,1.15,;4,-.38,;5.33,1.93,;5.33,3.47,;4,4.23,;4,5.78,;2.67,3.47,;1.33,4.23,)| Show InChI InChI=1S/C18H16BrN3O2/c1-10-9-13(24-18-15(19)5-4-8-20-18)6-7-14(10)16-11(2)17(23)22-21-12(16)3/h4-9H,1-3H3,(H,22,23)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	9.65	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., "Di...				US Patent US10093655 (2018) BindingDB Entry DOI: 10.7270/Q2SQ92F2
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM160880 (US10093655, Example 50 | US11014909, Example 50 | ...) Show SMILES Cc1ccnc(Oc2ccc(c(C)c2)-c2c(C)c(=O)[nH]c(=O)n2C)c1OC(F)F |(-4.67,-5.77,;-3.33,-5,;-2,-5.78,;-.67,-5,;-.67,-3.47,;-2,-2.69,;-2,-1.15,;-.67,-.38,;.67,-1.15,;2,-.38,;2,1.15,;.67,1.93,;.67,3.47,;-.67,1.15,;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,;-3.33,-3.47,;-4.67,-2.69,;-6,-3.47,;-7.34,-2.69,;-6,-5,)| Show InChI InChI=1S/C20H19F2N3O4/c1-10-7-8-23-18(16(10)29-19(21)22)28-13-5-6-14(11(2)9-13)15-12(3)17(26)24-20(27)25(15)4/h5-9,19H,1-4H3,(H,24,26,27)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	10.1	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., "Di...				US Patent US10093655 (2018) BindingDB Entry DOI: 10.7270/Q2SQ92F2
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM289101 (6-{4-[(3-Chloro-4-methylpyridin-2-yl)oxy]phenyl}-1...) Show SMILES Cc1ccnc(Oc2ccc(cc2)-c2c(C)c(=O)nc(=O)n2C)c1Cl Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	10.9	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., "Di...				US Patent US10093655 (2018) BindingDB Entry DOI: 10.7270/Q2SQ92F2
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM337374 (6-[4-(2,3-Dihydro-1H-pyrrolo[3,2-c]pyridin-4-yloxy...) Show SMILES Cc1c(-c2ccc(Oc3nccc4NCCc34)cc2)n(C)c(=O)[nH]c1=O Show InChI InChI=1S/C19H18N4O3/c1-11-16(23(2)19(25)22-17(11)24)12-3-5-13(6-4-12)26-18-14-7-9-20-15(14)8-10-21-18/h3-6,8,10,20H,7,9H2,1-2H3,(H,22,24,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	11.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description D1 binding assays were performed using over-expressing LTK human cell lines. To determine basic assay parameters, ligand concentrations were determin...				US Patent US9745317 (2017) BindingDB Entry DOI: 10.7270/Q2W95CBQ
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM160892 (US10093655, Example 62 | US11014909, Example 62 | ...) Show SMILES Cc1ccnc(Oc2ccc(c(C)c2)-c2c(C)n[nH]c(=O)c2C)c1C(F)(F)F |(-5.33,-5.77,;-4,-5,;-2.67,-5.78,;-1.33,-5,;-1.33,-3.47,;-2.67,-2.69,;-2.67,-1.15,;-1.33,-.38,;,-1.15,;1.33,-.38,;1.33,1.15,;,1.93,;,3.47,;-1.33,1.15,;2.67,1.93,;4,1.15,;4,-.38,;5.33,1.93,;5.33,3.47,;4,4.23,;4,5.78,;2.67,3.47,;1.33,4.23,;-4,-3.47,;-5.33,-2.69,;-6.67,-1.92,;-5.73,-1.21,;-6.67,-3.46,)| Show InChI InChI=1S/C20H18F3N3O2/c1-10-7-8-24-19(17(10)20(21,22)23)28-14-5-6-15(11(2)9-14)16-12(3)18(27)26-25-13(16)4/h5-9H,1-4H3,(H,26,27)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	12.1	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., "Di...				US Patent US10093655 (2018) BindingDB Entry DOI: 10.7270/Q2SQ92F2
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM337368 ((+)-5-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yloxy)-2...) Show SMILES Cc1cc(Oc2nccc3OCCc23)ccc1-c1c(C)n[nH]c(=O)c1C |(7.59,6.4,;7.59,4.86,;6.26,4.09,;6.26,2.55,;4.92,1.78,;4.92,.24,;6.26,-.53,;6.26,-2.07,;4.92,-2.84,;3.59,-2.07,;2.13,-2.55,;1.22,-1.3,;2.13,-.06,;3.59,-.53,;7.59,1.78,;8.92,2.55,;8.92,4.09,;10.26,4.86,;11.59,4.09,;11.59,2.55,;12.93,4.86,;12.93,6.4,;11.59,7.17,;11.59,8.71,;10.26,6.4,;8.92,7.17,)| Show InChI InChI=1S/C20H19N3O3/c1-11-10-14(26-20-16-7-9-25-17(16)6-8-21-20)4-5-15(11)18-12(2)19(24)23-22-13(18)3/h4-6,8,10H,7,9H2,1-3H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	12.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description D1 binding assays were performed using over-expressing LTK human cell lines. To determine basic assay parameters, ligand concentrations were determin...				US Patent US9745317 (2017) BindingDB Entry DOI: 10.7270/Q2W95CBQ
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM337369 ((−)-5-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl...) Show SMILES Cc1cc(Oc2nccc3OCCc23)ccc1-c1c(C)n[nH]c(=O)c1C |(7.59,6.4,;7.59,4.86,;6.26,4.09,;6.26,2.55,;4.92,1.78,;4.92,.24,;6.26,-.53,;6.26,-2.07,;4.92,-2.84,;3.59,-2.07,;2.13,-2.55,;1.22,-1.3,;2.13,-.06,;3.59,-.53,;7.59,1.78,;8.92,2.55,;8.92,4.09,;10.26,4.86,;11.59,4.09,;11.59,2.55,;12.93,4.86,;12.93,6.4,;11.59,7.17,;11.59,8.71,;10.26,6.4,;8.92,7.17,)| Show InChI InChI=1S/C20H19N3O3/c1-11-10-14(26-20-16-7-9-25-17(16)6-8-21-20)4-5-15(11)18-12(2)19(24)23-22-13(18)3/h4-6,8,10H,7,9H2,1-3H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	12.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description D1 binding assays were performed using over-expressing LTK human cell lines. To determine basic assay parameters, ligand concentrations were determin...				US Patent US9745317 (2017) BindingDB Entry DOI: 10.7270/Q2W95CBQ
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM289111 (1,5-Dimethyl-6-(7-{[3-(trifluoromethyl)pyridin-2-y...) Show SMILES Cc1c(-c2ccc(Oc3ncccc3C(F)(F)F)c3[nH]ccc23)n(C)c(=O)nc1=O |(-3.78,12.87,;-2.45,12.1,;-2.45,10.56,;-3.78,9.79,;-3.78,8.25,;-5.12,7.48,;-6.45,8.25,;-7.79,7.48,;-7.79,5.94,;-6.45,5.17,;-6.45,3.63,;-7.79,2.86,;-9.12,3.63,;-9.12,5.17,;-10.45,5.94,;-11.79,5.17,;-10.45,7.48,;-10.45,4.4,;-6.45,9.79,;-7.6,10.82,;-6.97,12.23,;-5.44,12.07,;-5.12,10.56,;-1.12,9.79,;-1.12,8.25,;.22,10.56,;1.55,9.79,;.22,12.1,;-1.12,12.87,;-1.12,14.41,)| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	12.9	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., "Di...				US Patent US10093655 (2018) BindingDB Entry DOI: 10.7270/Q2SQ92F2
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM160893 (US10093655, Example 63 | US11014909, Example 63 | ...) Show SMILES COc1ccnc(Oc2ccc(c(C)c2)-c2c(C)n[nH]c(=O)c2C)c1C(F)F |(-6,-5,;-4.67,-5.77,;-3.33,-5,;-2,-5.78,;-.67,-5,;-.67,-3.47,;-2,-2.69,;-2,-1.15,;-.67,-.38,;.67,-1.15,;2,-.38,;2,1.15,;.67,1.93,;.67,3.47,;-.67,1.15,;3.33,1.93,;4.67,1.15,;4.67,-.38,;6,1.93,;6,3.47,;4.67,4.23,;4.67,5.78,;3.33,3.47,;2,4.23,;-3.33,-3.47,;-4.67,-2.69,;-6,-3.47,;-4.67,-1.15,)| Show InChI InChI=1S/C20H19F2N3O3/c1-10-9-13(28-20-17(18(21)22)15(27-4)7-8-23-20)5-6-14(10)16-11(2)19(26)25-24-12(16)3/h5-9,18H,1-4H3,(H,25,26)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	13.4	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., "Di...				US Patent US10093655 (2018) BindingDB Entry DOI: 10.7270/Q2SQ92F2
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM337367 (5-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yloxy)-2- me...) Show SMILES Cc1cc(Oc2nccc3OCCc23)ccc1-c1c(C)n[nH]c(=O)c1C |(7.59,6.4,;7.59,4.86,;6.26,4.09,;6.26,2.55,;4.92,1.78,;4.92,.24,;6.26,-.53,;6.26,-2.07,;4.92,-2.84,;3.59,-2.07,;2.13,-2.55,;1.22,-1.3,;2.13,-.06,;3.59,-.53,;7.59,1.78,;8.92,2.55,;8.92,4.09,;10.26,4.86,;11.59,4.09,;11.59,2.55,;12.93,4.86,;12.93,6.4,;11.59,7.17,;11.59,8.71,;10.26,6.4,;8.92,7.17,)| Show InChI InChI=1S/C20H19N3O3/c1-11-10-14(26-20-16-7-9-25-17(16)6-8-21-20)4-5-15(11)18-12(2)19(24)23-22-13(18)3/h4-6,8,10H,7,9H2,1-3H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description D1 binding assays were performed using over-expressing LTK human cell lines. To determine basic assay parameters, ligand concentrations were determin...				US Patent US9745317 (2017) BindingDB Entry DOI: 10.7270/Q2W95CBQ
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM337366 (5-[4-(2,3-Dihydro-1H-pyrrolo[3,2-c]pyridin-4-yloxy...) Show SMILES Cc1nn(C2CCCCO2)c(=O)c(C)c1-c1ccc(Oc2nccc3N(CCc23)C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C43H40N4O3/c1-30-40(31(2)45-47(42(30)48)39-20-12-13-29-49-39)32-21-23-36(24-22-32)50-41-37-26-28-46(38(37)25-27-44-41)43(33-14-6-3-7-15-33,34-16-8-4-9-17-34)35-18-10-5-11-19-35/h3-11,14-19,21-25,27,39H,12-13,20,26,28-29H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description D1 binding assays were performed using over-expressing LTK human cell lines. To determine basic assay parameters, ligand concentrations were determin...				US Patent US9745317 (2017) BindingDB Entry DOI: 10.7270/Q2W95CBQ
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM160869 (US10093655, Example 39 | US11014909, Example 39 | ...) Show SMILES Cc1cc(Oc2cc(ccn2)C2CC2)ccc1-c1c(C)c(=O)[nH]c(=O)n1C |(.1,4.13,;.1,2.59,;-1.23,1.82,;-1.23,.28,;-2.56,-.49,;-2.56,-2.03,;-3.9,-2.8,;-3.9,-4.34,;-2.56,-5.11,;-1.23,-4.34,;-1.23,-2.8,;-5.23,-5.11,;-6.77,-5.11,;-6,-6.44,;.1,-.49,;1.44,.28,;1.44,1.82,;2.77,2.59,;2.77,4.13,;1.44,4.9,;4.1,4.9,;4.1,6.44,;5.44,4.13,;5.44,2.59,;6.77,1.82,;4.1,1.82,;4.1,.28,)| Show InChI InChI=1S/C21H21N3O3/c1-12-10-16(27-18-11-15(8-9-22-18)14-4-5-14)6-7-17(12)19-13(2)20(25)23-21(26)24(19)3/h6-11,14H,4-5H2,1-3H3,(H,23,25,26)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	15	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., "Di...				US Patent US10093655 (2018) BindingDB Entry DOI: 10.7270/Q2SQ92F2
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM160912 (US10093655, Example 2 | US11014909, Example 2 | US...) Show SMILES Cc1cc(Oc2ncccc2C2CC2)ccc1-c1c(C)c(=O)[nH]c(=O)n1C |(5.9,5.18,;4.56,5.95,;3.23,5.18,;1.9,5.95,;.56,5.18,;-.77,5.95,;-.77,7.49,;-2.1,8.26,;-3.44,7.49,;-3.44,5.95,;-2.1,5.18,;-2.1,3.64,;-1.33,2.31,;-2.87,2.31,;1.9,7.49,;3.23,8.26,;4.56,7.49,;5.9,8.26,;5.9,9.8,;4.56,10.57,;7.23,10.57,;7.23,12.11,;8.57,9.8,;8.57,8.26,;9.9,7.49,;7.23,7.49,;7.23,5.95,)| Show InChI InChI=1S/C21H21N3O3/c1-12-11-15(27-20-17(14-6-7-14)5-4-10-22-20)8-9-16(12)18-13(2)19(25)23-21(26)24(18)3/h4-5,8-11,14H,6-7H2,1-3H3,(H,23,25,26)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	15.3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., "Di...				US Patent US10093655 (2018) BindingDB Entry DOI: 10.7270/Q2SQ92F2
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM160898 (US10093655, Example 68 | US11014909, Example 68 | ...) Show SMILES Cc1cc(Sc2ncccc2C(F)(F)F)ccc1-c1c(C)c(=O)[nH]c(=O)n1C |(-.67,3.47,;-.67,1.93,;-2,1.15,;-2,-.38,;-3.33,-1.15,;-3.33,-2.69,;-2,-3.47,;-2,-5,;-3.33,-5.78,;-4.67,-5,;-4.67,-3.47,;-6,-2.69,;-7.34,-1.92,;-6,-1.15,;-7.34,-3.46,;-.67,-1.15,;.67,-.38,;.67,1.15,;2,1.93,;2,3.47,;.67,4.23,;3.33,4.23,;3.33,5.78,;4.67,3.47,;4.67,1.93,;6,1.15,;3.33,1.15,;3.33,-.38,)| Show InChI InChI=1S/C19H16F3N3O2S/c1-10-9-12(28-17-14(19(20,21)22)5-4-8-23-17)6-7-13(10)15-11(2)16(26)24-18(27)25(15)3/h4-9H,1-3H3,(H,24,26,27)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	16.9	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., "Di...				US Patent US10093655 (2018) BindingDB Entry DOI: 10.7270/Q2SQ92F2
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM289104 ((−)-6-(4-{[3-(Difluoromethyl)pyridin-2-yl]ox...) Show SMILES Cc1c(-c2ccc(Oc3ncccc3C(F)F)cc2)n(C)c(=O)nc1=O Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	17.5	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., "Di...				US Patent US10093655 (2018) BindingDB Entry DOI: 10.7270/Q2SQ92F2
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM337377 (4,6-Dimethyl-5-[2-methyl-4-(1,2,3,4-tetrahydro-1,6...) Show SMILES Cc1cc(Oc2nccc3N(Cc4ccccc4)CCCc23)ccc1-c1c(C)nn(C2CCCCO2)c(=O)c1C |(9.76,22.28,;9.76,20.74,;8.43,19.97,;8.43,18.43,;7.1,17.66,;7.1,16.12,;8.43,15.35,;8.43,13.81,;7.1,13.04,;5.76,13.81,;4.43,13.04,;4.43,11.5,;5.76,10.73,;5.76,9.19,;7.1,8.42,;8.43,9.19,;8.43,10.73,;7.1,11.5,;3.09,13.81,;3.09,15.35,;4.43,16.12,;5.76,15.35,;9.76,17.66,;11.1,18.43,;11.1,19.97,;12.43,20.74,;13.76,19.97,;13.76,18.43,;15.1,20.74,;15.1,22.28,;16.43,23.05,;16.43,24.59,;17.77,25.36,;19.1,24.59,;19.1,23.05,;17.77,22.28,;13.76,23.05,;13.76,24.59,;12.43,22.28,;11.1,23.05,)| Show InChI InChI=1S/C33H36N4O3/c1-22-20-26(14-15-27(22)31-23(2)33(38)37(35-24(31)3)30-13-7-8-19-39-30)40-32-28-12-9-18-36(29(28)16-17-34-32)21-25-10-5-4-6-11-25/h4-6,10-11,14-17,20,30H,7-9,12-13,18-19,21H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	18.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description D1 binding assays were performed using over-expressing LTK human cell lines. To determine basic assay parameters, ligand concentrations were determin...				US Patent US9745317 (2017) BindingDB Entry DOI: 10.7270/Q2W95CBQ
					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 US Patent	18.6	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., "Di...				US Patent US10093655 (2018) BindingDB Entry DOI: 10.7270/Q2SQ92F2
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM289098 ((+)-1,5-Dimethyl-6-(2-methyl-4-{[3-(trifluoromethy...) Show SMILES Cc1cc(Oc2ncccc2C(F)(F)F)ccc1-c1c(C)c(=O)nc(=O)n1C |(-14.73,-19.08,;-14.73,-20.62,;-16.07,-21.39,;-16.07,-22.93,;-17.4,-23.7,;-17.4,-25.24,;-16.07,-26.01,;-16.07,-27.55,;-17.4,-28.32,;-18.74,-27.55,;-18.74,-26.01,;-20.07,-25.24,;-21.4,-26.01,;-20.07,-23.7,;-20.07,-26.78,;-14.73,-23.7,;-13.4,-22.93,;-13.4,-21.39,;-12.07,-20.62,;-12.07,-19.08,;-13.4,-18.31,;-10.73,-18.31,;-10.73,-16.77,;-9.4,-19.08,;-9.4,-20.62,;-8.07,-21.39,;-10.73,-21.39,;-10.73,-22.93,)| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	21	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., "Di...				US Patent US10093655 (2018) BindingDB Entry DOI: 10.7270/Q2SQ92F2
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM160891 (US10093655, Example 61 | US11014909, Example 61 | ...) Show SMILES COc1ccnc(Oc2ccc(c(C)c2)-c2c(C)n[nH]c(=O)c2C)c1C |(-5.33,-6.54,;-5.33,-5,;-4,-4.24,;-2.67,-5.01,;-1.33,-4.24,;-1.33,-2.7,;-2.67,-1.93,;-2.67,-.39,;-1.33,.38,;,-.39,;1.33,.38,;1.33,1.92,;,2.69,;,4.23,;-1.33,1.92,;2.67,2.69,;4,1.92,;4,.38,;5.33,2.69,;5.33,4.23,;4,5,;4,6.54,;2.67,4.23,;1.33,5,;-4,-2.7,;-5.33,-1.93,)| Show InChI InChI=1S/C20H21N3O3/c1-11-10-15(26-20-12(2)17(25-5)8-9-21-20)6-7-16(11)18-13(3)19(24)23-22-14(18)4/h6-10H,1-5H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	23.8	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., "Di...				US Patent US10093655 (2018) BindingDB Entry DOI: 10.7270/Q2SQ92F2
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM160884 (US10093655, Example 55 | US11014909, Example 55 | ...) Show SMILES Cc1cc(Oc2ncccc2Cl)ccc1-c1c(C)c(=O)[nH]c(=O)n1C |(-.67,3.47,;-.67,1.93,;-2,1.15,;-2,-.38,;-3.33,-1.15,;-3.33,-2.69,;-2,-3.47,;-2,-5,;-3.33,-5.78,;-4.67,-5,;-4.67,-3.47,;-6,-2.69,;-.67,-1.15,;.67,-.38,;.67,1.15,;2,1.93,;2,3.47,;.67,4.23,;3.33,4.23,;3.33,5.78,;4.67,3.47,;4.67,1.93,;6,1.15,;3.33,1.15,;3.33,-.38,)| Show InChI InChI=1S/C18H16ClN3O3/c1-10-9-12(25-17-14(19)5-4-8-20-17)6-7-13(10)15-11(2)16(23)21-18(24)22(15)3/h4-9H,1-3H3,(H,21,23,24)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	24.2	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., "Di...				US Patent US10093655 (2018) BindingDB Entry DOI: 10.7270/Q2SQ92F2
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM160895 (US10093655, Example 66 | US11014909, Example 66 | ...) Show SMILES Cc1cc(Oc2ncccc2C(F)(F)F)ccc1-c1c(C)n[nH]c(=O)c1C |(,3.47,;,1.93,;-1.33,1.15,;-1.33,-.38,;-2.67,-1.15,;-2.67,-2.69,;-1.33,-3.47,;-1.33,-5,;-2.67,-5.78,;-4,-5,;-4,-3.47,;-5.33,-2.69,;-6.67,-1.92,;-4.94,-1.21,;-6.67,-3.46,;,-1.15,;1.33,-.38,;1.33,1.15,;2.67,1.93,;4,1.15,;4,-.38,;5.33,1.93,;5.33,3.47,;4,4.23,;4,5.78,;2.67,3.47,;1.33,4.23,)| Show InChI InChI=1S/C19H16F3N3O2/c1-10-9-13(27-18-15(19(20,21)22)5-4-8-23-18)6-7-14(10)16-11(2)17(26)25-24-12(16)3/h4-9H,1-3H3,(H,25,26)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	26.9	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., "Di...				US Patent US10093655 (2018) BindingDB Entry DOI: 10.7270/Q2SQ92F2
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM337379 (4-[4-(4,6-Dimethylpyrimidin-5-yl)-3-methylphenoxy]...) Show SMILES Cc1ncnc(C)c1-c1ccc(Oc2nccc3OCC(O)c23)cc1 Show InChI InChI=1S/C19H17N3O3/c1-11-17(12(2)22-10-21-11)13-3-5-14(6-4-13)25-19-18-15(23)9-24-16(18)7-8-20-19/h3-8,10,15,23H,9H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	28.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description D1 binding assays were performed using over-expressing LTK human cell lines. To determine basic assay parameters, ligand concentrations were determin...				US Patent US9745317 (2017) BindingDB Entry DOI: 10.7270/Q2W95CBQ
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM160887 (US10093655, Example 57 | US11014909, Example 57 | ...) Show SMILES Cc1cc(Oc2ncccc2Cl)ccc1-c1c(C)n[nH]c(=O)c1C |(,3.47,;,1.93,;-1.33,1.15,;-1.33,-.38,;-2.67,-1.15,;-2.67,-2.69,;-1.33,-3.47,;-1.33,-5,;-2.67,-5.78,;-4,-5,;-4,-3.47,;-5.33,-2.69,;,-1.15,;1.33,-.38,;1.33,1.15,;2.67,1.93,;4,1.15,;4,-.38,;5.33,1.93,;5.33,3.47,;4,4.23,;4,5.78,;2.67,3.47,;1.33,4.23,)| Show InChI InChI=1S/C18H16ClN3O2/c1-10-9-13(24-18-15(19)5-4-8-20-18)6-7-14(10)16-11(2)17(23)22-21-12(16)3/h4-9H,1-3H3,(H,22,23)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	30.5	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., "Di...				US Patent US10093655 (2018) BindingDB Entry DOI: 10.7270/Q2SQ92F2
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM285641 ((+)-5-[4-(furo[2,3-d]pyrimidin-4-yloxy)-2-methylph...) Show SMILES Cc1cc(Oc2ncnc3occc23)ccc1-c1c(C)n[nH]c(=O)c1C |(-3.81,-14.36,;-3.81,-15.9,;-5.14,-16.67,;-5.14,-18.21,;-6.48,-18.98,;-6.48,-20.52,;-5.14,-21.29,;-5.14,-22.83,;-6.48,-23.6,;-7.81,-22.83,;-9.27,-23.31,;-10.18,-22.06,;-9.27,-20.82,;-7.81,-21.29,;-3.81,-18.98,;-2.47,-18.21,;-2.47,-16.67,;-1.14,-15.9,;.19,-16.67,;.19,-18.21,;1.53,-15.9,;1.53,-14.36,;.19,-13.59,;.19,-12.05,;-1.14,-14.36,;-2.47,-13.59,)| Show InChI InChI=1S/C19H16N4O3/c1-10-8-13(26-19-15-6-7-25-18(15)20-9-21-19)4-5-14(10)16-11(2)17(24)23-22-12(16)3/h4-9H,1-3H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	30.7	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description D1 binding assays were performed using over-expressing LTK human cell lines. To determine basic assay parameters, ligand concentrations were determin...				US Patent US10077272 (2018) BindingDB Entry DOI: 10.7270/Q2JH3P6V
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM285640 (5-[4-(furo[2,3-d]pyrimidin-4-yloxy)-2-methylphenyl...) Show SMILES Cc1cc(Oc2ncnc3occc23)ccc1-c1c(C)n[nH]c(=O)c1C |(-3.81,-14.36,;-3.81,-15.9,;-5.14,-16.67,;-5.14,-18.21,;-6.48,-18.98,;-6.48,-20.52,;-5.14,-21.29,;-5.14,-22.83,;-6.48,-23.6,;-7.81,-22.83,;-9.27,-23.31,;-10.18,-22.06,;-9.27,-20.82,;-7.81,-21.29,;-3.81,-18.98,;-2.47,-18.21,;-2.47,-16.67,;-1.14,-15.9,;.19,-16.67,;.19,-18.21,;1.53,-15.9,;1.53,-14.36,;.19,-13.59,;.19,-12.05,;-1.14,-14.36,;-2.47,-13.59,)| Show InChI InChI=1S/C19H16N4O3/c1-10-8-13(26-19-15-6-7-25-18(15)20-9-21-19)4-5-14(10)16-11(2)17(24)23-22-12(16)3/h4-9H,1-3H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	30.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description D1 binding assays were performed using over-expressing LTK human cell lines. To determine basic assay parameters, ligand concentrations were determin...				J Med Chem 48: 364-79 (2005) BindingDB Entry DOI: 10.7270/Q2125VZD
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM160868 (US10093655, Example 38 | US11014909, Example 38 | ...) Show SMILES CC(C)c1cccnc1Oc1ccc(c(C)c1)-c1c(C)c(=O)[nH]c(=O)n1C |(-6.67,-3.47,;-5.33,-2.69,;-5.33,-1.15,;-4,-3.47,;-4,-5,;-2.67,-5.78,;-1.33,-5,;-1.33,-3.47,;-2.67,-2.69,;-2.67,-1.15,;-1.33,-.38,;,-1.15,;1.33,-.38,;1.33,1.15,;,1.93,;,3.47,;-1.33,1.15,;2.67,1.93,;2.67,3.47,;1.33,4.23,;4,4.23,;4,5.78,;5.33,3.47,;5.33,1.93,;6.67,1.15,;4,1.15,;4,-.38,)| Show InChI InChI=1S/C21H23N3O3/c1-12(2)16-7-6-10-22-20(16)27-15-8-9-17(13(3)11-15)18-14(4)19(25)23-21(26)24(18)5/h6-12H,1-5H3,(H,23,25,26)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	31.1	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., "Di...				US Patent US10093655 (2018) BindingDB Entry DOI: 10.7270/Q2SQ92F2
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM160908 (US10093655, Example 78 | US11014909, Example 78 | ...) Show SMILES Cc1ccnc(Oc2ccc(c(C)c2)-c2c(C)cnc(=O)n2C)c1Cl |(-5.33,-5.77,;-4,-5,;-2.67,-5.78,;-1.33,-5,;-1.33,-3.47,;-2.67,-2.69,;-2.67,-1.15,;-1.33,-.38,;,-1.15,;1.33,-.38,;1.33,1.15,;,1.93,;,3.47,;-1.33,1.15,;2.67,1.93,;4,1.15,;4,-.38,;5.33,1.93,;5.33,3.47,;4,4.23,;4,5.78,;2.67,3.47,;1.33,4.23,;-4,-3.47,;-5.33,-2.69,)| Show InChI InChI=1S/C19H18ClN3O2/c1-11-7-8-21-18(16(11)20)25-14-5-6-15(12(2)9-14)17-13(3)10-22-19(24)23(17)4/h5-10H,1-4H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	32.3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., "Di...				US Patent US10093655 (2018) BindingDB Entry DOI: 10.7270/Q2SQ92F2
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM285644 (4,6-Dimethyl-5-[2-methyl-4-([1,2]thiazolo[4,5-c]py...) Show SMILES Cc1cc(Oc2nccc3sncc23)ccc1-c1c(C)n[nH]c(=O)c1C |(-3.81,-14.36,;-3.81,-15.9,;-5.14,-16.67,;-5.14,-18.21,;-6.48,-18.98,;-6.48,-20.52,;-5.14,-21.29,;-5.14,-22.83,;-6.48,-23.6,;-7.81,-22.83,;-9.27,-23.31,;-10.18,-22.06,;-9.27,-20.82,;-7.81,-21.29,;-3.81,-18.98,;-2.47,-18.21,;-2.47,-16.67,;-1.14,-15.9,;.19,-16.67,;.19,-18.21,;1.53,-15.9,;1.53,-14.36,;.19,-13.59,;.19,-12.05,;-1.14,-14.36,;-2.47,-13.59,)| Show InChI InChI=1S/C19H16N4O2S/c1-10-8-13(25-19-15-9-21-26-16(15)6-7-20-19)4-5-14(10)17-11(2)18(24)23-22-12(17)3/h4-9H,1-3H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	32.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description D1 binding assays were performed using over-expressing LTK human cell lines. To determine basic assay parameters, ligand concentrations were determin...				J Med Chem 48: 364-79 (2005) BindingDB Entry DOI: 10.7270/Q2125VZD
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM285644 (4,6-Dimethyl-5-[2-methyl-4-([1,2]thiazolo[4,5-c]py...) Show SMILES Cc1cc(Oc2nccc3sncc23)ccc1-c1c(C)n[nH]c(=O)c1C |(-3.81,-14.36,;-3.81,-15.9,;-5.14,-16.67,;-5.14,-18.21,;-6.48,-18.98,;-6.48,-20.52,;-5.14,-21.29,;-5.14,-22.83,;-6.48,-23.6,;-7.81,-22.83,;-9.27,-23.31,;-10.18,-22.06,;-9.27,-20.82,;-7.81,-21.29,;-3.81,-18.98,;-2.47,-18.21,;-2.47,-16.67,;-1.14,-15.9,;.19,-16.67,;.19,-18.21,;1.53,-15.9,;1.53,-14.36,;.19,-13.59,;.19,-12.05,;-1.14,-14.36,;-2.47,-13.59,)| Show InChI InChI=1S/C19H16N4O2S/c1-10-8-13(25-19-15-9-21-26-16(15)6-7-20-19)4-5-14(10)17-11(2)18(24)23-22-12(17)3/h4-9H,1-3H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	32.7	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description D1 binding assays were performed using over-expressing LTK human cell lines. To determine basic assay parameters, ligand concentrations were determin...				US Patent US10077272 (2018) BindingDB Entry DOI: 10.7270/Q2JH3P6V
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM289096 (6-{4-[(3-Chloropyridin-2-yl)oxy]-2-methylphenyl}-5...) Show SMILES CCc1c(-c2ccc(Oc3ncccc3Cl)cc2C)n(C)c(=O)nc1=O |(-13.4,-16.77,;-13.4,-18.31,;-12.07,-19.08,;-12.07,-20.62,;-13.4,-21.39,;-13.4,-22.93,;-14.73,-23.7,;-16.07,-22.93,;-17.4,-23.7,;-17.4,-25.24,;-16.07,-26.01,;-16.07,-27.55,;-17.4,-28.32,;-18.74,-27.55,;-18.74,-26.01,;-20.07,-25.24,;-16.07,-21.39,;-14.73,-20.62,;-14.73,-19.08,;-10.73,-21.39,;-10.73,-22.93,;-9.4,-20.62,;-8.07,-21.39,;-9.4,-19.08,;-10.73,-18.31,;-10.73,-16.77,)| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	33.1	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., "Di...				US Patent US10093655 (2018) BindingDB Entry DOI: 10.7270/Q2SQ92F2
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM160895 (US10093655, Example 66 | US11014909, Example 66 | ...) Show SMILES Cc1cc(Oc2ncccc2C(F)(F)F)ccc1-c1c(C)n[nH]c(=O)c1C |(,3.47,;,1.93,;-1.33,1.15,;-1.33,-.38,;-2.67,-1.15,;-2.67,-2.69,;-1.33,-3.47,;-1.33,-5,;-2.67,-5.78,;-4,-5,;-4,-3.47,;-5.33,-2.69,;-6.67,-1.92,;-4.94,-1.21,;-6.67,-3.46,;,-1.15,;1.33,-.38,;1.33,1.15,;2.67,1.93,;4,1.15,;4,-.38,;5.33,1.93,;5.33,3.47,;4,4.23,;4,5.78,;2.67,3.47,;1.33,4.23,)| Show InChI InChI=1S/C19H16F3N3O2/c1-10-9-13(27-18-15(19(20,21)22)5-4-8-23-18)6-7-14(10)16-11(2)17(26)25-24-12(16)3/h4-9H,1-3H3,(H,25,26)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	34.4	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., "Di...				US Patent US10093655 (2018) BindingDB Entry DOI: 10.7270/Q2SQ92F2
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM337370 (5-[4-(2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-4-yloxy...) Show SMILES Cc1cc(Oc2nccc3NCCc23)ccc1-c1c(C)n[nH]c(=O)c1C |(7.59,6.4,;7.59,4.86,;6.26,4.09,;6.26,2.55,;4.92,1.78,;4.92,.24,;6.26,-.53,;6.26,-2.07,;4.92,-2.84,;3.59,-2.07,;2.13,-2.55,;1.22,-1.3,;2.13,-.06,;3.59,-.53,;7.59,1.78,;8.92,2.55,;8.92,4.09,;10.26,4.86,;11.59,4.09,;11.59,2.55,;12.93,4.86,;12.93,6.4,;11.59,7.17,;11.59,8.71,;10.26,6.4,;8.92,7.17,)| Show InChI InChI=1S/C20H20N4O2/c1-11-10-14(26-20-16-6-8-21-17(16)7-9-22-20)4-5-15(11)18-12(2)19(25)24-23-13(18)3/h4-5,7,9-10,21H,6,8H2,1-3H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	35.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description D1 binding assays were performed using over-expressing LTK human cell lines. To determine basic assay parameters, ligand concentrations were determin...				US Patent US9745317 (2017) BindingDB Entry DOI: 10.7270/Q2W95CBQ
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM289109 (6-{4-[(3-Chloropyridin-2-yl)sulfanyl]-2-methylphen...) Show SMILES Cc1cc(Oc2ncccc2Cl)ccc1-c1c(C)c(=O)nc(=O)n1C |(-5.12,12.1,;-5.12,10.56,;-6.45,9.79,;-6.45,8.25,;-7.79,7.48,;-7.79,5.94,;-6.45,5.17,;-6.45,3.63,;-7.79,2.86,;-9.12,3.63,;-9.12,5.17,;-10.45,5.94,;-5.12,7.48,;-3.78,8.25,;-3.78,9.79,;-2.45,10.56,;-2.45,12.1,;-3.78,12.87,;-1.12,12.87,;-1.12,14.41,;.22,12.1,;.22,10.56,;1.55,9.79,;-1.12,9.79,;-1.12,8.25,)| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	35.7	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., "Di...				US Patent US10093655 (2018) BindingDB Entry DOI: 10.7270/Q2SQ92F2
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM160857 (US10093655, Example 27 | US11014909, Example 27 | ...) Show SMILES Cc1ccnc(Oc2ccc(c(C)c2)-c2c(C)c(=O)[nH]c(=O)n2C)c1F |(-6,-5.78,;-4.67,-5,;-3.33,-5.78,;-2,-5,;-2,-3.47,;-3.33,-2.69,;-3.33,-1.15,;-2,-.38,;-.67,-1.15,;.67,-.38,;.67,1.15,;-.67,1.93,;-.67,3.47,;-2,1.15,;2,1.93,;2,3.47,;.67,4.23,;3.33,4.23,;3.33,5.78,;4.67,3.47,;4.67,1.93,;6,1.15,;3.33,1.15,;3.33,-.38,;-4.67,-3.47,;-6,-2.69,)| Show InChI InChI=1S/C19H18FN3O3/c1-10-7-8-21-18(15(10)20)26-13-5-6-14(11(2)9-13)16-12(3)17(24)22-19(25)23(16)4/h5-9H,1-4H3,(H,22,24,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	36.2	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., "Di...				US Patent US10093655 (2018) BindingDB Entry DOI: 10.7270/Q2SQ92F2
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM160899 (US10093655, Example 69 | US11014909, Example 69 | ...) Show SMILES Cc1c(-c2ccc(Oc3ncccc3C3CC3)cc2)n(C)c(=O)[nH]c1=O Show InChI InChI=1S/C20H19N3O3/c1-12-17(23(2)20(25)22-18(12)24)14-7-9-15(10-8-14)26-19-16(13-5-6-13)4-3-11-21-19/h3-4,7-11,13H,5-6H2,1-2H3,(H,22,24,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	38.3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., "Di...				US Patent US10093655 (2018) BindingDB Entry DOI: 10.7270/Q2SQ92F2
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM160855 (US10093655, Example 25 | US11014909, Example 25 | ...) Show SMILES Cc1cc(Oc2ncc(Cl)c(C)c2Cl)ccc1-c1c(C)c(=O)[nH]c(=O)n1C |(-.67,4.23,;-.67,2.69,;-2,1.92,;-2,.38,;-3.33,-.39,;-3.33,-1.93,;-2,-2.7,;-2,-4.24,;-3.33,-5.01,;-3.33,-6.54,;-4.67,-4.24,;-6,-5.01,;-4.67,-2.7,;-6,-1.93,;-.67,-.39,;.67,.38,;.67,1.92,;2,2.69,;2,4.23,;.67,5,;3.33,5,;3.33,6.54,;4.67,4.23,;4.67,2.69,;6,1.92,;3.33,1.92,;3.33,.38,)| Show InChI InChI=1S/C19H17Cl2N3O3/c1-9-7-12(27-18-15(21)10(2)14(20)8-22-18)5-6-13(9)16-11(3)17(25)23-19(26)24(16)4/h5-8H,1-4H3,(H,23,25,26)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	38.5	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., "Di...				US Patent US10093655 (2018) BindingDB Entry DOI: 10.7270/Q2SQ92F2
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM285640 (5-[4-(furo[2,3-d]pyrimidin-4-yloxy)-2-methylphenyl...) Show SMILES Cc1cc(Oc2ncnc3occc23)ccc1-c1c(C)n[nH]c(=O)c1C |(-3.81,-14.36,;-3.81,-15.9,;-5.14,-16.67,;-5.14,-18.21,;-6.48,-18.98,;-6.48,-20.52,;-5.14,-21.29,;-5.14,-22.83,;-6.48,-23.6,;-7.81,-22.83,;-9.27,-23.31,;-10.18,-22.06,;-9.27,-20.82,;-7.81,-21.29,;-3.81,-18.98,;-2.47,-18.21,;-2.47,-16.67,;-1.14,-15.9,;.19,-16.67,;.19,-18.21,;1.53,-15.9,;1.53,-14.36,;.19,-13.59,;.19,-12.05,;-1.14,-14.36,;-2.47,-13.59,)| Show InChI InChI=1S/C19H16N4O3/c1-10-8-13(26-19-15-6-7-25-18(15)20-9-21-19)4-5-14(10)16-11(2)17(24)23-22-12(16)3/h4-9H,1-3H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	40.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description D1 binding assays were performed using over-expressing LTK human cell lines. To determine basic assay parameters, ligand concentrations were determin...				J Med Chem 48: 364-79 (2005) BindingDB Entry DOI: 10.7270/Q2125VZD
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM285642 ((-)-5-[4-(furo[2,3-d]pyrimidin-4-yloxy)-2-methylph...) Show SMILES Cc1cc(Oc2ncnc3occc23)ccc1-c1c(C)n[nH]c(=O)c1C |(-3.81,-14.36,;-3.81,-15.9,;-5.14,-16.67,;-5.14,-18.21,;-6.48,-18.98,;-6.48,-20.52,;-5.14,-21.29,;-5.14,-22.83,;-6.48,-23.6,;-7.81,-22.83,;-9.27,-23.31,;-10.18,-22.06,;-9.27,-20.82,;-7.81,-21.29,;-3.81,-18.98,;-2.47,-18.21,;-2.47,-16.67,;-1.14,-15.9,;.19,-16.67,;.19,-18.21,;1.53,-15.9,;1.53,-14.36,;.19,-13.59,;.19,-12.05,;-1.14,-14.36,;-2.47,-13.59,)| Show InChI InChI=1S/C19H16N4O3/c1-10-8-13(26-19-15-6-7-25-18(15)20-9-21-19)4-5-14(10)16-11(2)17(24)23-22-12(16)3/h4-9H,1-3H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	40.2	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description D1 binding assays were performed using over-expressing LTK human cell lines. To determine basic assay parameters, ligand concentrations were determin...				US Patent US10077272 (2018) BindingDB Entry DOI: 10.7270/Q2JH3P6V
					More data for this Ligand-Target Pair

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