Compile Data Set for Download or QSAR

Found 28 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 1727   

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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	BDBM337389 (US9745317, 27) Show SMILES Cc1c(-c2ccc(Oc3ncnc4NCCc34)cc2)n(C)c(=O)[nH]c1=O Show InChI InChI=1S/C18H17N5O3/c1-10-14(23(2)18(25)22-16(10)24)11-3-5-12(6-4-11)26-17-13-7-8-19-15(13)20-9-21-17/h3-6,9H,7-8H2,1-2H3,(H,19,20,21)(H,22,24,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	44.4	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))	BDBM337375 (6-[4-(2,3-Dihydrofuro[3,2-c]pyridin-4-yloxy)phenyl...) Show SMILES Cc1c(-c2ccc(Oc3nccc4OCCc34)cc2)n(C)c(=O)[nH]c1=O Show InChI InChI=1S/C19H17N3O4/c1-11-16(22(2)19(24)21-17(11)23)12-3-5-13(6-4-12)26-18-14-8-10-25-15(14)7-9-20-18/h3-7,9H,8,10H2,1-2H3,(H,21,23,24)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	46.1	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))	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	50.5	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))	BDBM337365 (5-[4-(2,3-Dihydrofuro[3,2-c]pyridin-4-yloxy)phenyl...) Show SMILES CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(cccc12)P(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C39H32OP2/c1-39(2)33-25-15-27-35(41(29-17-7-3-8-18-29)30-19-9-4-10-20-30)37(33)40-38-34(39)26-16-28-36(38)42(31-21-11-5-12-22-31)32-23-13-6-14-24-32/h3-28H,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	52	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))	BDBM337380 (US9745317, 18) Show SMILES Cc1cc(Oc2nccc3OCCc23)ccc1-c1c(C)ncc2nccn12 |(-.05,4.23,;-.05,2.69,;-1.39,1.92,;-1.39,.38,;-2.72,-.39,;-2.72,-1.93,;-1.39,-2.7,;-1.39,-4.24,;-2.72,-5.01,;-4.06,-4.24,;-5.52,-4.71,;-6.43,-3.47,;-5.52,-2.22,;-4.06,-2.7,;-.05,-.38,;1.28,.38,;1.28,1.92,;2.61,2.7,;2.61,4.24,;1.28,5.01,;3.95,5,;5.28,4.24,;5.28,2.7,;6.43,1.66,;5.8,.26,;4.27,.42,;3.95,1.93,)| Show InChI InChI=1S/C21H18N4O2/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/h3-5,7-9,11-12H,6,10H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	52.1	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))	BDBM337373 (5-[4-(6, 7-Dihydro-5H-pyrrolo[2, 3-d]pyrimidin-4-y...) Show SMILES COc1ccc(CN2CCc3c2ncnc3Oc2ccc(cc2)-c2c(C)nn(C3CCCCO3)c(=O)c2C)cc1 Show InChI InChI=1S/C31H33N5O4/c1-20-28(21(2)34-36(31(20)37)27-6-4-5-17-39-27)23-9-13-25(14-10-23)40-30-26-15-16-35(29(26)32-19-33-30)18-22-7-11-24(38-3)12-8-22/h7-14,19,27H,4-6,15-18H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	60.4	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))	BDBM337376 (5-[4-(3,4-Dihydro-2H-pyrano[3,2-c]pyridin-5-yloxy)...) Show SMILES CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Cc2c(cccc12)P(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C40H34P2/c1-40(2)36-25-15-27-38(41(30-17-7-3-8-18-30)31-19-9-4-10-20-31)34(36)29-35-37(40)26-16-28-39(35)42(32-21-11-5-12-22-32)33-23-13-6-14-24-33/h3-28H,29H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	70.3	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))	BDBM337386 (US9745317, 24 | US9745317, 25) Show SMILES Cc1cc(Oc2nccc3NCCc23)ccc1-c1c(C)ncc(=O)n1C |(.52,3.47,;.52,1.93,;-.82,1.15,;-.82,-.38,;-2.15,-1.15,;-2.15,-2.69,;-.82,-3.47,;-.82,-5,;-2.15,-5.78,;-3.48,-5,;-4.95,-5.48,;-5.85,-4.23,;-4.95,-2.99,;-3.48,-3.47,;.52,-1.15,;1.85,-.38,;1.85,1.15,;3.19,1.93,;4.52,1.16,;4.52,-.38,;5.85,1.93,;5.85,3.47,;4.52,4.23,;4.52,5.78,;3.19,3.47,;1.85,4.24,)| Show InChI InChI=1S/C20H20N4O2/c1-12-10-14(26-20-16-6-8-21-17(16)7-9-22-20)4-5-15(12)19-13(2)23-11-18(25)24(19)3/h4-5,7,9-11,21H,6,8H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	75.8	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))	BDBM337363 (4-[4-(4,6-Dimethylpyrimidin-5-yl)-3-methylphenoxy]...) Show SMILES Cc1cc(Oc2nccc3OCCc23)ccc1-c1c(C)ncnc1C |(-13.7,-3.62,;-13.7,-5.16,;-15.03,-5.93,;-15.03,-7.47,;-16.36,-8.24,;-16.36,-9.78,;-15.03,-10.55,;-15.03,-12.09,;-16.36,-12.86,;-17.7,-12.09,;-19.16,-12.57,;-20.07,-11.32,;-19.16,-10.08,;-17.7,-10.55,;-13.7,-8.24,;-12.36,-7.47,;-12.36,-5.93,;-11.03,-5.16,;-9.7,-5.93,;-9.7,-7.47,;-8.36,-5.16,;-8.36,-3.62,;-9.7,-2.85,;-11.03,-3.62,;-12.36,-2.85,)| Show InChI InChI=1S/C20H19N3O2/c1-12-10-15(25-20-17-7-9-24-18(17)6-8-21-20)4-5-16(12)19-13(2)22-11-23-14(19)3/h4-6,8,10-11H,7,9H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	76.8	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))	BDBM337364 (4-[4-(4,6-Dimethylpyrimidin-5-yl)-3-methylphenoxy]...) Show SMILES CC1=C(C(C)=[N](C)C=N1)c1ccc(Oc2nccc3N(CCc23)C2CCCCO2)cc1C |c:7,t:1,4| Show InChI InChI=1S/C26H31N4O2/c1-17-15-20(8-9-21(17)25-18(2)28-16-29(4)19(25)3)32-26-22-11-13-30(23(22)10-12-27-26)24-7-5-6-14-31-24/h8-10,12,15-16,24H,5-7,11,13-14H2,1-4H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	78.1	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))	BDBM337383 (US9745317, 21 | US9745317, 22 | US9745317, 23) Show SMILES Cc1cc(Oc2nccc3OCCc23)ccc1-c1c(C)ncc(=O)n1C |(.52,3.47,;.52,1.93,;-.82,1.15,;-.82,-.38,;-2.15,-1.15,;-2.15,-2.69,;-.82,-3.47,;-.82,-5,;-2.15,-5.78,;-3.48,-5,;-4.95,-5.48,;-5.85,-4.23,;-4.95,-2.99,;-3.48,-3.47,;.52,-1.15,;1.85,-.38,;1.85,1.15,;3.19,1.93,;4.52,1.16,;4.52,-.38,;5.85,1.93,;5.85,3.47,;4.52,4.23,;4.52,5.78,;3.19,3.47,;1.85,4.24,)| Show InChI InChI=1S/C20H19N3O3/c1-12-10-14(26-20-16-7-9-25-17(16)6-8-21-20)4-5-15(12)19-13(2)22-11-18(24)23(19)3/h4-6,8,10-11H,7,9H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	82.5	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))	BDBM337381 (US9745317, 19) Show SMILES Cc1cc(Oc2ncnc3NCCc23)ccc1-c1c(C)ncnc1C |(.52,4.23,;.52,2.69,;-.82,1.92,;-.82,.38,;-2.15,-.39,;-2.15,-1.93,;-.82,-2.7,;-.82,-4.24,;-2.15,-5.01,;-3.48,-4.24,;-4.95,-4.71,;-5.85,-3.47,;-4.95,-2.22,;-3.48,-2.7,;.52,-.38,;1.85,.38,;1.85,1.92,;3.19,2.7,;3.19,4.24,;1.85,5.01,;4.52,5,;5.85,4.24,;5.85,2.7,;4.52,1.93,;4.52,.39,)| Show InChI InChI=1S/C19H19N5O/c1-11-8-14(25-19-16-6-7-20-18(16)23-10-24-19)4-5-15(11)17-12(2)21-9-22-13(17)3/h4-5,8-10H,6-7H2,1-3H3,(H,20,23,24)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	156	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))	BDBM337388 (US9745317, 26) Show SMILES Cc1n[nH]c(=O)c(C)c1-c1ccc(Oc2nccc3OCCc23)cc1C#N |(4.52,-.38,;4.52,1.16,;5.85,1.93,;5.85,3.47,;4.52,4.23,;4.52,5.78,;3.19,3.47,;1.85,4.24,;3.19,1.93,;1.85,1.15,;1.85,-.38,;.52,-1.15,;-.82,-.38,;-2.15,-1.15,;-2.15,-2.69,;-.82,-3.47,;-.82,-5,;-2.15,-5.78,;-3.48,-5,;-4.95,-5.48,;-5.85,-4.23,;-4.95,-2.99,;-3.48,-3.47,;-.82,1.15,;.52,1.98,;.52,3.52,;.52,5.06,)| Show InChI InChI=1S/C20H16N4O3/c1-11-18(12(2)23-24-19(11)25)15-4-3-14(9-13(15)10-21)27-20-16-6-8-26-17(16)5-7-22-20/h3-5,7,9H,6,8H2,1-2H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	162	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))	BDBM337386 (US9745317, 24 | US9745317, 25) Show SMILES Cc1cc(Oc2nccc3NCCc23)ccc1-c1c(C)ncc(=O)n1C |(.52,3.47,;.52,1.93,;-.82,1.15,;-.82,-.38,;-2.15,-1.15,;-2.15,-2.69,;-.82,-3.47,;-.82,-5,;-2.15,-5.78,;-3.48,-5,;-4.95,-5.48,;-5.85,-4.23,;-4.95,-2.99,;-3.48,-3.47,;.52,-1.15,;1.85,-.38,;1.85,1.15,;3.19,1.93,;4.52,1.16,;4.52,-.38,;5.85,1.93,;5.85,3.47,;4.52,4.23,;4.52,5.78,;3.19,3.47,;1.85,4.24,)| Show InChI InChI=1S/C20H20N4O2/c1-12-10-14(26-20-16-6-8-21-17(16)7-9-22-20)4-5-15(12)19-13(2)23-11-18(25)24(19)3/h4-5,7,9-11,21H,6,8H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	201	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))	BDBM337390 (US9745317, 28) Show SMILES Cc1c(-c2ccc(Oc3ncnc4CCCc34)cc2)n(C)c(=O)[nH]c1=O Show InChI InChI=1S/C19H18N4O3/c1-11-16(23(2)19(25)22-17(11)24)12-6-8-13(9-7-12)26-18-14-4-3-5-15(14)20-10-21-18/h6-10H,3-5H2,1-2H3,(H,22,24,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	202	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))	BDBM337383 (US9745317, 21 | US9745317, 22 | US9745317, 23) Show SMILES Cc1cc(Oc2nccc3OCCc23)ccc1-c1c(C)ncc(=O)n1C |(.52,3.47,;.52,1.93,;-.82,1.15,;-.82,-.38,;-2.15,-1.15,;-2.15,-2.69,;-.82,-3.47,;-.82,-5,;-2.15,-5.78,;-3.48,-5,;-4.95,-5.48,;-5.85,-4.23,;-4.95,-2.99,;-3.48,-3.47,;.52,-1.15,;1.85,-.38,;1.85,1.15,;3.19,1.93,;4.52,1.16,;4.52,-.38,;5.85,1.93,;5.85,3.47,;4.52,4.23,;4.52,5.78,;3.19,3.47,;1.85,4.24,)| Show InChI InChI=1S/C20H19N3O3/c1-12-10-14(26-20-16-7-9-25-17(16)6-8-21-20)4-5-15(12)19-13(2)22-11-18(24)23(19)3/h4-6,8,10-11H,7,9H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	202	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))	BDBM337382 (US9745317, 20) Show SMILES Cc1cc(Oc2ncnc3CCCc23)ccc1-c1c(C)ncnc1C |(.52,4.23,;.52,2.69,;-.82,1.92,;-.82,.38,;-2.15,-.39,;-2.15,-1.93,;-.82,-2.7,;-.82,-4.24,;-2.15,-5.01,;-3.48,-4.24,;-4.95,-4.71,;-5.85,-3.47,;-4.95,-2.22,;-3.48,-2.7,;.52,-.38,;1.85,.38,;1.85,1.92,;3.19,2.7,;3.19,4.24,;1.85,5.01,;4.52,5,;5.85,4.24,;5.85,2.7,;4.52,1.93,;4.52,.39,)| Show InChI InChI=1S/C20H20N4O/c1-12-9-15(25-20-17-5-4-6-18(17)23-11-24-20)7-8-16(12)19-13(2)21-10-22-14(19)3/h7-11H,4-6H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	446	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))	BDBM337383 (US9745317, 21 | US9745317, 22 | US9745317, 23) Show SMILES Cc1cc(Oc2nccc3OCCc23)ccc1-c1c(C)ncc(=O)n1C |(.52,3.47,;.52,1.93,;-.82,1.15,;-.82,-.38,;-2.15,-1.15,;-2.15,-2.69,;-.82,-3.47,;-.82,-5,;-2.15,-5.78,;-3.48,-5,;-4.95,-5.48,;-5.85,-4.23,;-4.95,-2.99,;-3.48,-3.47,;.52,-1.15,;1.85,-.38,;1.85,1.15,;3.19,1.93,;4.52,1.16,;4.52,-.38,;5.85,1.93,;5.85,3.47,;4.52,4.23,;4.52,5.78,;3.19,3.47,;1.85,4.24,)| Show InChI InChI=1S/C20H19N3O3/c1-12-10-14(26-20-16-7-9-25-17(16)6-8-21-20)4-5-15(12)19-13(2)22-11-18(24)23(19)3/h4-6,8,10-11H,7,9H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	706	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