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Patent code US9868744

Compile Data Set for Download or QSAR
Found 23 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM285640
PNG
(5-[4-(furo[2,3-d]pyrimidin-4-yloxy)-2-methylphenyl...)
Show SMILES Cc1cc(Oc2ncnc3occc23)ccc1-c1c(C)n[nH]c(=O)c1C
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)
KEGG

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US Patent
30.7n/an/an/an/an/an/an/an/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 US9868744 (2018)

More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM285644
PNG
(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
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)
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32.7n/an/an/an/an/an/an/an/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 US9868744 (2018)

More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM285640
PNG
(5-[4-(furo[2,3-d]pyrimidin-4-yloxy)-2-methylphenyl...)
Show SMILES Cc1cc(Oc2ncnc3occc23)ccc1-c1c(C)n[nH]c(=O)c1C
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)
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40.2n/an/an/an/an/an/an/an/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 US9868744 (2018)

More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM285640
PNG
(5-[4-(furo[2,3-d]pyrimidin-4-yloxy)-2-methylphenyl...)
Show SMILES Cc1cc(Oc2ncnc3occc23)ccc1-c1c(C)n[nH]c(=O)c1C
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)
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44.7n/an/an/an/an/an/an/an/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 US9868744 (2018)

More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM285647
PNG
(5-[4-(furo[2,3-d]pyrimidin-4-yloxy)phenyl]-4,6-dim...)
Show SMILES Cc1n[nH]c(=O)c(C)c1-c1ccc(Oc2ncnc3occc23)cc1
Show InChI InChI=1S/C18H14N4O3/c1-10-15(11(2)21-22-16(10)23)12-3-5-13(6-4-12)25-18-14-7-8-24-17(14)19-9-20-18/h3-9H,1-2H3,(H,22,23)
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70.3n/an/an/an/an/an/an/an/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 US9868744 (2018)

More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM285655
PNG
(1-cyclopropyl-6-[4-(furo[2,3-d]pyrimidin-4-yloxy)p...)
Show SMILES Cc1c(-c2ccc(Oc3ncnc4occc34)cc2)n(C2CC2)c(=O)[nH]c1=O
Show InChI InChI=1S/C20H16N4O4/c1-11-16(24(13-4-5-13)20(26)23-17(11)25)12-2-6-14(7-3-12)28-19-15-8-9-27-18(15)21-10-22-19/h2-3,6-10,13H,4-5H2,1H3,(H,23,25,26)
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122n/an/an/an/an/an/an/an/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 US9868744 (2018)

More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM285637
PNG
(6-[4-(furo[2,3-d]pyrimidin-4-yloxy)-2-methylphenyl...)
Show SMILES Cc1cc(Oc2ncnc3occc23)ccc1-c1c(C)ncc(=O)n1C
Show InChI InChI=1S/C19H16N4O3/c1-11-8-13(26-19-15-6-7-25-18(15)21-10-22-19)4-5-14(11)17-12(2)20-9-16(24)23(17)3/h4-10H,1-3H3
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127n/an/an/an/an/an/an/an/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 US9868744 (2018)

More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM365624
PNG
(6-[4-(furo[2,3-d]pyrimidin-4-yloxy)phenyl]-1,5-dim...)
Show SMILES Cc1c(-c2ccc(Oc3ncnc4occc34)cc2)n(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C18H14N4O4/c1-10-14(22(2)18(24)21-15(10)23)11-3-5-12(6-4-11)26-17-13-7-8-25-16(13)19-9-20-17/h3-9H,1-2H3,(H,21,23,24)
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142n/an/an/an/an/an/an/an/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 US9868744 (2018)

More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM285656
PNG
(1-cyclopropyl-5-ethyl-6-[4-(furo[2,3-d]pyrimidin-4...)
Show SMILES CCc1c(-c2ccc(Oc3ncnc4occc34)cc2)n(C2CC2)c(=O)[nH]c1=O
Show InChI InChI=1S/C21H18N4O4/c1-2-15-17(25(13-5-6-13)21(27)24-18(15)26)12-3-7-14(8-4-12)29-20-16-9-10-28-19(16)22-11-23-20/h3-4,7-11,13H,2,5-6H2,1H3,(H,24,26,27)
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142n/an/an/an/an/an/an/an/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 US9868744 (2018)

More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM285635
PNG
(4-[4-(4,6-Dimethylpyrimidin-5-yl)-3-methylphenoxy]...)
Show SMILES Cc1cc(Oc2ncnc3occc23)ccc1-c1c(C)ncnc1C
Show InChI InChI=1S/C19H16N4O2/c1-11-8-14(25-19-16-6-7-24-18(16)22-10-23-19)4-5-15(11)17-12(2)20-9-21-13(17)3/h4-10H,1-3H3
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166n/an/an/an/an/an/an/an/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 US9868744 (2018)

More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM285654
PNG
(1-ethyl-6-[4-(furo[2,3-d]pyrimidin-4-yloxy)phenyl]...)
Show SMILES CCn1c(-c2ccc(Oc3ncnc4occc34)cc2)c(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C19H16N4O4/c1-3-23-15(11(2)16(24)22-19(23)25)12-4-6-13(7-5-12)27-18-14-8-9-26-17(14)20-10-21-18/h4-10H,3H2,1-2H3,(H,22,24,25)
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179n/an/an/an/an/an/an/an/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 US9868744 (2018)

More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM285637
PNG
(6-[4-(furo[2,3-d]pyrimidin-4-yloxy)-2-methylphenyl...)
Show SMILES Cc1cc(Oc2ncnc3occc23)ccc1-c1c(C)ncc(=O)n1C
Show InChI InChI=1S/C19H16N4O3/c1-11-8-13(26-19-15-6-7-25-18(15)21-10-22-19)4-5-14(11)17-12(2)20-9-16(24)23(17)3/h4-10H,1-3H3
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196n/an/an/an/an/an/an/an/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 US9868744 (2018)

More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM285652
PNG
(5-ethyl-6-[4-(furo[2,3-d]pyrimidin-4-yloxy)phenyl]...)
Show SMILES CCc1c(-c2ccc(Oc3ncnc4occc34)cc2)n(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C19H16N4O4/c1-3-13-15(23(2)19(25)22-16(13)24)11-4-6-12(7-5-11)27-18-14-8-9-26-17(14)20-10-21-18/h4-10H,3H2,1-2H3,(H,22,24,25)
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274n/an/an/an/an/an/an/an/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 US9868744 (2018)

More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM285649
PNG
(1,5-dimethyl-6-{4-[(3-methyl[1,2]oxazolo[4,5-c]pyr...)
Show SMILES Cc1noc2ccnc(Oc3ccc(cc3)-c3c(C)c(=O)[nH]c(=O)n3C)c12
Show InChI InChI=1S/C19H16N4O4/c1-10-16(23(3)19(25)21-17(10)24)12-4-6-13(7-5-12)26-18-15-11(2)22-27-14(15)8-9-20-18/h4-9H,1-3H3,(H,21,24,25)
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280n/an/an/an/an/an/an/an/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 US9868744 (2018)

More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM285657
PNG
(1,5-diethyl-6-[4-(furo[2,3-d]pyrimidin-4-yloxy)phe...)
Show SMILES CCc1c(-c2ccc(Oc3ncnc4occc34)cc2)n(CC)c(=O)[nH]c1=O
Show InChI InChI=1S/C20H18N4O4/c1-3-14-16(24(4-2)20(26)23-17(14)25)12-5-7-13(8-6-12)28-19-15-9-10-27-18(15)21-11-22-19/h5-11H,3-4H2,1-2H3,(H,23,25,26)
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309n/an/an/an/an/an/an/an/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 US9868744 (2018)

More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM285650
PNG
(4,6-dimethyl-5-{2-methyl-4-[(3-methyl[1,2]oxazolo[...)
Show SMILES Cc1noc2ccnc(Oc3ccc(c(C)c3)-c3c(C)n[nH]c(=O)c3C)c12
Show InChI InChI=1S/C20H18N4O3/c1-10-9-14(26-20-18-13(4)24-27-16(18)7-8-21-20)5-6-15(10)17-11(2)19(25)23-22-12(17)3/h5-9H,1-4H3,(H,23,25)
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326n/an/an/an/an/an/an/an/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 US9868744 (2018)

More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM285646
PNG
(5-[4-(1H-imidazo[4,5-c]pyridin-4-yloxy)-2-methylph...)
Show SMILES Cc1cc(Oc2nccc3[nH]cnc23)ccc1-c1c(C)ncnc1C#N
Show InChI InChI=1S/C19H14N6O/c1-11-7-13(26-19-18-15(5-6-21-19)23-10-25-18)3-4-14(11)17-12(2)22-9-24-16(17)8-20/h3-7,9-10H,1-2H3,(H,23,25)
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367n/an/an/an/an/an/an/an/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 US9868744 (2018)

More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM285648
PNG
(5-[4-(furo[2,3-d]pyrimidin-4-yloxy)-2-methylphenyl...)
Show SMILES Cc1cc(Oc2ncnc3occc23)ccc1-c1cn[nH]c(=O)c1C
Show InChI InChI=1S/C18H14N4O3/c1-10-7-12(25-18-14-5-6-24-17(14)19-9-20-18)3-4-13(10)15-8-21-22-16(23)11(15)2/h3-9H,1-2H3,(H,22,23)
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372n/an/an/an/an/an/an/an/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 US9868744 (2018)

More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM365617
PNG
(4-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)...)
Show SMILES Cc1cc(Oc2nccc3[nH]cnc23)ccc1-c1c(C)ncc2nccn12
Show InChI InChI=1S/C20H16N6O/c1-12-9-14(27-20-18-16(5-6-22-20)24-11-25-18)3-4-15(12)19-13(2)23-10-17-21-7-8-26(17)19/h3-11H,1-2H3,(H,24,25)
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374n/an/an/an/an/an/an/an/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 US9868744 (2018)

More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM285637
PNG
(6-[4-(furo[2,3-d]pyrimidin-4-yloxy)-2-methylphenyl...)
Show SMILES Cc1cc(Oc2ncnc3occc23)ccc1-c1c(C)ncc(=O)n1C
Show InChI InChI=1S/C19H16N4O3/c1-11-8-13(26-19-15-6-7-25-18(15)21-10-22-19)4-5-14(11)17-12(2)20-9-16(24)23(17)3/h4-10H,1-3H3
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400n/an/an/an/an/an/an/an/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 US9868744 (2018)

More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM285653
PNG
(6-[4-(furo[2,3-d]pyrimidin-4-yloxy)phenyl]-1-(2-me...)
Show SMILES COCCn1c(-c2ccc(Oc3ncnc4occc34)cc2)c(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C20H18N4O5/c1-12-16(24(8-10-27-2)20(26)23-17(12)25)13-3-5-14(6-4-13)29-19-15-7-9-28-18(15)21-11-22-19/h3-7,9,11H,8,10H2,1-2H3,(H,23,25,26)
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900n/an/an/an/an/an/an/an/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 US9868744 (2018)

More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM285636
PNG
(4-[3-Methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)...)
Show SMILES Cc1cc(Oc2nccc3[nH]cnc23)ccc1-c1c(C)ncnc1C
Show InChI InChI=1S/C19H17N5O/c1-11-8-14(25-19-18-16(6-7-20-19)23-10-24-18)4-5-15(11)17-12(2)21-9-22-13(17)3/h4-10H,1-3H3,(H,23,24)
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912n/an/an/an/an/an/an/an/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 US9868744 (2018)

More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM285651
PNG
(1,5-dimethyl-6-{2-methyl-4-[(3-methyl[1,2]oxazolo[...)
Show SMILES Cc1noc2ccnc(Oc3ccc(c(C)c3)-c3c(C)ncc(=O)n3C)c12
Show InChI InChI=1S/C20H18N4O3/c1-11-9-14(26-20-18-12(2)23-27-16(18)7-8-21-20)5-6-15(11)19-13(3)22-10-17(25)24(19)4/h5-10H,1-4H3
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1.73E+3n/an/an/an/an/an/an/an/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 US9868744 (2018)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%