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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)
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))
BDBM337378
PNG
(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,)|
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4.80n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9745317 (2017)


BindingDB Entry DOI: 10.7270/Q2W95CBQ
More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM337370
PNG
(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,)|
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8.40n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9745317 (2017)


BindingDB Entry DOI: 10.7270/Q2W95CBQ
More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM337374
PNG
(6-[4-(2,3-Dihydro-1H-pyrrolo[3,2-c]pyridin-4-yloxy...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)-c1c(C)c(C)c(C)c(C)c1P(C(C)(C)C)C(C)(C)C |(11.9,-1.11,;10.41,-.71,;10.01,.78,;9.32,-1.8,;7.83,-1.4,;6.74,-2.49,;5.26,-2.09,;4.86,-.6,;4.17,-3.18,;7.14,-3.97,;8.63,-4.37,;9.72,-3.28,;9.03,-5.86,;10.51,-6.26,;7.94,-6.95,;4.19,-7.12,;4.96,-8.45,;6.5,-8.45,;4.19,-9.78,;4.96,-11.12,;2.65,-9.78,;1.88,-11.12,;1.88,-8.45,;.34,-8.45,;2.65,-7.12,;1.88,-5.78,;.34,-5.78,;-.43,-7.12,;-.43,-4.45,;-1.2,-5.78,;2.65,-4.45,;4.19,-4.45,;1.88,-3.11,;3.42,-3.11,)|
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11.1n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9745317 (2017)


BindingDB Entry DOI: 10.7270/Q2W95CBQ
More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM337368
PNG
((+)-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,)|
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12.6n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9745317 (2017)


BindingDB Entry DOI: 10.7270/Q2W95CBQ
More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM337369
PNG
((−)-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,)|
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12.7n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9745317 (2017)


BindingDB Entry DOI: 10.7270/Q2W95CBQ
More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM337366
PNG
(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
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14n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9745317 (2017)


BindingDB Entry DOI: 10.7270/Q2W95CBQ
More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM337367
PNG
(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,)|
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Pfizer Inc.

US Patent




US Patent US9745317 (2017)


BindingDB Entry DOI: 10.7270/Q2W95CBQ
More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM337377
PNG
(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,)|
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18.1n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9745317 (2017)


BindingDB Entry DOI: 10.7270/Q2W95CBQ
More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM337379
PNG
(4-[4-(4,6-Dimethylpyrimidin-5-yl)-3-methylphenoxy]...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)-c1c(C)c(C)c(C)c(C)c1P(C(C)(C)C)C(C)(C)C |(5.4,8.84,;3.91,9.24,;3.52,10.73,;2.83,8.15,;1.34,8.55,;.25,7.46,;-1.24,7.86,;-1.64,9.35,;-2.33,6.77,;.65,5.98,;2.14,5.58,;3.22,6.67,;2.53,4.09,;4.02,3.69,;1.44,3,;-2.31,2.83,;-1.54,1.5,;0,1.5,;-2.31,.17,;-1.54,-1.17,;-3.85,.17,;-4.62,-1.17,;-4.62,1.5,;-6.16,1.5,;-3.85,2.83,;-4.62,4.17,;-6.16,4.17,;-6.93,2.83,;-6.93,5.5,;-7.7,4.17,;-3.85,5.5,;-2.31,5.5,;-4.62,6.83,;-3.08,6.83,)|
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28.9n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9745317 (2017)


BindingDB Entry DOI: 10.7270/Q2W95CBQ
More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM337370
PNG
(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,)|
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35.6n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9745317 (2017)


BindingDB Entry DOI: 10.7270/Q2W95CBQ
More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM337389
PNG
(US9745317, 27)
Show SMILES Cc1c(-c2ccc(Oc3ncnc4NCCc34)cc2)n(C)c(=O)[nH]c1=O
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44.4n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9745317 (2017)


BindingDB Entry DOI: 10.7270/Q2W95CBQ
More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM337375
PNG
(6-[4-(2,3-Dihydrofuro[3,2-c]pyridin-4-yloxy)phenyl...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)-c1c(C)c(C)c(C)c(C)c1P(C(C)(C)C)C(C)(C)C |(10.13,10.19,;10.52,8.7,;12.01,8.31,;9.44,7.62,;9.83,6.13,;8.75,5.04,;9.14,3.55,;8.06,2.46,;10.63,3.15,;7.26,5.44,;6.86,6.93,;7.95,8.01,;5.37,7.32,;4.97,8.81,;4.28,6.24,;4.24,2.47,;5.01,1.14,;6.55,1.14,;4.24,-.2,;5.01,-1.53,;2.7,-.2,;1.93,-1.53,;1.93,1.14,;.39,1.14,;2.7,2.47,;1.93,3.81,;2.7,5.14,;4.24,5.14,;1.93,6.47,;3.47,6.47,;.39,3.81,;-.38,5.14,;-.38,2.47,;-1.15,3.81,)|
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46.1n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9745317 (2017)


BindingDB Entry DOI: 10.7270/Q2W95CBQ
More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM337370
PNG
(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,)|
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50.5n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9745317 (2017)


BindingDB Entry DOI: 10.7270/Q2W95CBQ
More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM337365
PNG
(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
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52n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9745317 (2017)


BindingDB Entry DOI: 10.7270/Q2W95CBQ
More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM337380
PNG
(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,)|
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52.1n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9745317 (2017)


BindingDB Entry DOI: 10.7270/Q2W95CBQ
More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM337373
PNG
(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
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60.4n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9745317 (2017)


BindingDB Entry DOI: 10.7270/Q2W95CBQ
More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM337376
PNG
(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
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70.3n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9745317 (2017)


BindingDB Entry DOI: 10.7270/Q2W95CBQ
More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM337386
PNG
(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,)|
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75.8n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9745317 (2017)


BindingDB Entry DOI: 10.7270/Q2W95CBQ
More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM337363
PNG
(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,)|
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76.8n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9745317 (2017)


BindingDB Entry DOI: 10.7270/Q2W95CBQ
More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM337364
PNG
(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|
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Pfizer Inc.

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US Patent US9745317 (2017)


BindingDB Entry DOI: 10.7270/Q2W95CBQ
More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM337383
PNG
(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,)|
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Pfizer Inc.

US Patent




US Patent US9745317 (2017)


BindingDB Entry DOI: 10.7270/Q2W95CBQ
More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM337381
PNG
(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,)|
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Pfizer Inc.

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US Patent US9745317 (2017)


BindingDB Entry DOI: 10.7270/Q2W95CBQ
More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM337388
PNG
(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,)|
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Pfizer Inc.

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US Patent US9745317 (2017)


BindingDB Entry DOI: 10.7270/Q2W95CBQ
More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM337386
PNG
(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,)|
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Pfizer Inc.

US Patent




US Patent US9745317 (2017)


BindingDB Entry DOI: 10.7270/Q2W95CBQ
More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM337390
PNG
(US9745317, 28)
Show SMILES Cc1c(-c2ccc(Oc3ncnc4CCCc34)cc2)n(C)c(=O)[nH]c1=O
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US Patent US9745317 (2017)


BindingDB Entry DOI: 10.7270/Q2W95CBQ
More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM337383
PNG
(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,)|
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Pfizer Inc.

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US Patent US9745317 (2017)


BindingDB Entry DOI: 10.7270/Q2W95CBQ
More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM337382
PNG
(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,)|
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Pfizer Inc.

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US Patent US9745317 (2017)


BindingDB Entry DOI: 10.7270/Q2W95CBQ
More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM337383
PNG
(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,)|
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US Patent US9745317 (2017)


BindingDB Entry DOI: 10.7270/Q2W95CBQ
More data for this
Ligand-Target Pair