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Patent code US9107923

Compile Data Set for Download or QSAR
Found 81 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
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160878
PNG
(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)
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US Patent
 0.571n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160912
PNG
(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)
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US Patent
 3.11n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160861
PNG
(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)
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 3.61n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160894
PNG
(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)
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 4.17n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160871
PNG
(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)
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 5.41n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160924
PNG
(US9107923, 13)
Show SMILES Cc1cc(Oc2ncccc2OC(F)F)ccc1-c1c(C)c(=O)[nH]c(=O)n1C |(-5.33,-9.24,;-5.33,-7.7,;-6.67,-6.93,;-6.67,-5.39,;-8,-4.62,;-8,-3.08,;-6.67,-2.31,;-6.67,-.77,;-8,,;-9.34,-.77,;-9.34,-2.31,;-10.67,-3.08,;-12,-2.31,;-13.34,-3.08,;-12,-.77,;-5.33,-4.62,;-4,-5.39,;-4,-6.93,;-2.67,-7.7,;-1.33,-6.93,;-1.33,-5.39,;,-7.7,;1.33,-6.93,;,-9.24,;-1.33,-10.01,;-1.33,-11.55,;-2.67,-9.24,;-4,-10.01,)|
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)
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US Patent
 6.91n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160876
PNG
(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)
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 7.66n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160867
PNG
(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)
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 8.42n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160918
PNG
(US11014909, Example 8 | US9107923, 7 | US9107923, ...)
Show SMILES Cc1cc(Oc2ncccc2C(F)(F)F)ccc1-c1c(C)c(=O)[nH]c(=O)n1C |(-5.33,-9.24,;-5.33,-7.7,;-6.67,-6.93,;-6.67,-5.39,;-8,-4.62,;-8,-3.08,;-6.67,-2.31,;-6.67,-.77,;-8,,;-9.34,-.77,;-9.34,-2.31,;-10.67,-3.08,;-12,-3.85,;-11.44,-1.75,;-9.9,-4.41,;-5.33,-4.62,;-4,-5.39,;-4,-6.93,;-2.67,-7.7,;-1.33,-6.93,;-1.33,-5.39,;,-7.7,;1.33,-6.93,;,-9.24,;-1.33,-10.01,;-1.33,-11.55,;-2.67,-9.24,;-4,-10.01,)|
Show InChI InChI=1S/C19H16F3N3O3/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)
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US Patent
 8.54n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160884
PNG
(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)
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 9.33n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160873
PNG
(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)
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 9.65n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160880
PNG
(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)
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 10.1n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160922
PNG
(US11014909, Example 11 | US9107923, 11)
Show SMILES Cc1ccnc(Oc2ccc(cc2)-c2c(C)c(=O)[nH]c(=O)n2C)c1Cl
Show InChI InChI=1S/C18H16ClN3O3/c1-10-8-9-20-17(14(10)19)25-13-6-4-12(5-7-13)15-11(2)16(23)21-18(24)22(15)3/h4-9H,1-3H3,(H,21,23,24)
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 10.9n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160892
PNG
(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)
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US Patent
 12.1n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160930
PNG
(US11014909, Example 19 | US9107923, 19)
Show SMILES Cc1c(-c2ccc(Oc3ncccc3C(F)(F)F)c3[nH]ccc23)n(C)c(=O)[nH]c1=O |(2.26,1.78,;3.59,2.55,;4.92,1.78,;4.92,.24,;6.26,-.53,;6.26,-2.07,;4.92,-2.84,;4.92,-4.38,;3.59,-5.15,;2.26,-4.38,;.92,-5.15,;.92,-6.69,;2.26,-7.46,;3.59,-6.69,;4.92,-7.46,;6.26,-8.23,;4.15,-8.8,;5.69,-6.13,;3.59,-2.07,;2.13,-2.55,;1.22,-1.3,;2.13,-.06,;3.59,-.53,;6.26,2.55,;7.59,1.78,;6.26,4.09,;7.59,4.86,;4.92,4.86,;3.59,4.09,;2.26,4.86,)|
Show InChI InChI=1S/C20H15F3N4O3/c1-10-16(27(2)19(29)26-17(10)28)12-5-6-14(15-11(12)7-9-24-15)30-18-13(20(21,22)23)4-3-8-25-18/h3-9,24H,1-2H3,(H,26,28,29)
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 12.9n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160893
PNG
(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)
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 13.4n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160869
PNG
(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)
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 15n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160912
PNG
(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)
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 15.3n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160898
PNG
(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)
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 16.9n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160925
PNG
(US11014909, Example 15 | US9107923, 14 | US9107923...)
Show SMILES Cc1cc(Oc2ncccc2C(F)F)ccc1-c1c(C)c(=O)[nH]c(=O)n1C |(-5.33,-9.24,;-5.33,-7.7,;-6.67,-6.93,;-6.67,-5.39,;-8,-4.62,;-8,-3.08,;-6.67,-2.31,;-6.67,-.77,;-8,,;-9.34,-.77,;-9.34,-2.31,;-10.67,-3.08,;-12,-2.31,;-10.67,-4.62,;-5.33,-4.62,;-4,-5.39,;-4,-6.93,;-2.67,-7.7,;-1.33,-6.93,;-1.33,-5.39,;,-7.7,;1.33,-6.93,;,-9.24,;-1.33,-10.01,;-1.33,-11.55,;-2.67,-9.24,;-4,-10.01,)|
Show InChI InChI=1S/C19H17F2N3O3/c1-10-9-12(27-18-14(16(20)21)5-4-8-22-18)6-7-13(10)15-11(2)17(25)23-19(26)24(15)3/h4-9,16H,1-3H3,(H,23,25,26)
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 17.5n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160875
PNG
(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)
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US Patent
 18.6n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160918
PNG
(US11014909, Example 8 | US9107923, 7 | US9107923, ...)
Show SMILES Cc1cc(Oc2ncccc2C(F)(F)F)ccc1-c1c(C)c(=O)[nH]c(=O)n1C |(-5.33,-9.24,;-5.33,-7.7,;-6.67,-6.93,;-6.67,-5.39,;-8,-4.62,;-8,-3.08,;-6.67,-2.31,;-6.67,-.77,;-8,,;-9.34,-.77,;-9.34,-2.31,;-10.67,-3.08,;-12,-3.85,;-11.44,-1.75,;-9.9,-4.41,;-5.33,-4.62,;-4,-5.39,;-4,-6.93,;-2.67,-7.7,;-1.33,-6.93,;-1.33,-5.39,;,-7.7,;1.33,-6.93,;,-9.24,;-1.33,-10.01,;-1.33,-11.55,;-2.67,-9.24,;-4,-10.01,)|
Show InChI InChI=1S/C19H16F3N3O3/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)
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 21n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160891
PNG
(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)
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 23.8n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160884
PNG
(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)
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 24.2n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160896
PNG
(US9107923, 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,;-5.33,-1.15,;-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)
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 26.9n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160887
PNG
(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)
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 30.5n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160868
PNG
(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)
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US Patent
 31.1n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160908
PNG
(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
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 32.3n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160917
PNG
(US11014909, Example 6 | US9107923, 6)
Show SMILES CCc1c(-c2ccc(Oc3ncccc3Cl)cc2C)n(C)c(=O)[nH]c1=O |(-2.67,-4.62,;-1.33,-5.39,;-1.33,-6.93,;-2.67,-7.7,;-4,-6.93,;-4,-5.39,;-5.33,-4.62,;-6.67,-5.39,;-8,-4.62,;-8,-3.08,;-6.67,-2.31,;-6.67,-.77,;-8,,;-9.34,-.77,;-9.34,-2.31,;-10.67,-3.08,;-6.67,-6.93,;-5.33,-7.7,;-5.33,-9.24,;-2.67,-9.24,;-4,-10.01,;-1.33,-10.01,;-1.33,-11.55,;,-9.24,;,-7.7,;1.33,-6.93,)|
Show InChI InChI=1S/C19H18ClN3O3/c1-4-13-16(23(3)19(25)22-17(13)24)14-8-7-12(10-11(14)2)26-18-15(20)6-5-9-21-18/h5-10H,4H2,1-3H3,(H,22,24,25)
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 33.1n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160895
PNG
(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)
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 34.4n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160929
PNG
(US11014909, Example 18 | US9107923, 18)
Show SMILES Cc1cc(Sc2ncccc2Cl)ccc1-c1c(C)c(=O)[nH]c(=O)n1C |(-5.33,-9.24,;-5.33,-7.7,;-6.67,-6.93,;-6.67,-5.39,;-8,-4.62,;-8,-3.08,;-6.67,-2.31,;-6.67,-.77,;-8,,;-9.34,-.77,;-9.34,-2.31,;-10.67,-3.08,;-5.33,-4.62,;-4,-5.39,;-4,-6.93,;-2.67,-7.7,;-1.33,-6.93,;-1.33,-5.39,;,-7.7,;1.33,-6.93,;,-9.24,;-1.33,-10.01,;-1.33,-11.55,;-2.67,-9.24,;-4,-10.01,)|
Show InChI InChI=1S/C18H16ClN3O2S/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)
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 35.7n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160857
PNG
(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)
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 36.2n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160899
PNG
(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)
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 38.3n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160855
PNG
(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)
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 38.5n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160914
PNG
(US10093655, Example 4 | US11014909, Example 4 | US...)
Show SMILES Cc1cc(Oc2ncc(F)cc2Cl)ccc1-c1c(C)c(=O)[nH]c(=O)n1C |(-5.33,-9.24,;-5.33,-7.7,;-6.67,-6.93,;-6.67,-5.39,;-8,-4.62,;-8,-3.08,;-6.67,-2.31,;-6.67,-.77,;-8,,;-8,1.54,;-9.34,-.77,;-9.34,-2.31,;-10.67,-3.08,;-5.33,-4.62,;-4,-5.39,;-4,-6.93,;-2.67,-7.7,;-1.33,-6.93,;-1.33,-5.39,;,-7.7,;1.33,-6.93,;,-9.24,;-1.33,-10.01,;-1.33,-11.55,;-2.67,-9.24,;-4,-10.01,)|
Show InChI InChI=1S/C18H15ClFN3O3/c1-9-6-12(26-17-14(19)7-11(20)8-21-17)4-5-13(9)15-10(2)16(24)22-18(25)23(15)3/h4-8H,1-3H3,(H,22,24,25)
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 40.6n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160903
PNG
(US10093655, Example 73 | US11014909, Example 73 | ...)
Show SMILES Cc1ccnc(Oc2ccc(c(C)c2)-c2c(C)ncc(=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/c1-11-7-8-21-19(17(11)20)25-14-5-6-15(12(2)9-14)18-13(3)22-10-16(24)23(18)4/h5-10H,1-4H3
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 43.4n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160927
PNG
(US11014909, Example 17 | US9107923, 16 | US9107923...)
Show SMILES Cc1cc(Oc2ncccc2C(F)F)ccc1-c1c(C)n[nH]c(=O)c1C |(-5.33,-9.24,;-5.33,-7.7,;-6.67,-6.93,;-6.67,-5.39,;-8,-4.62,;-8,-3.08,;-6.67,-2.31,;-6.67,-.77,;-8,,;-9.34,-.77,;-9.34,-2.31,;-10.67,-3.08,;-12,-2.31,;-10.67,-4.62,;-5.33,-4.62,;-4,-5.39,;-4,-6.93,;-2.67,-7.7,;-1.33,-6.93,;-1.33,-5.39,;,-7.7,;,-9.24,;-1.33,-10.01,;-1.33,-11.55,;-2.67,-9.24,;-4,-10.01,)|
Show InChI InChI=1S/C19H17F2N3O2/c1-10-9-13(26-19-15(17(20)21)5-4-8-22-19)6-7-14(10)16-11(2)18(25)24-23-12(16)3/h4-9,17H,1-3H3,(H,24,25)
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 44.3n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160853
PNG
(US10093655, Example 23 | US9107923, 23)
Show SMILES Cc1ccnc(Oc2ccc(c(C)c2)-c2c(C)c(=O)[nH]c(=O)n2C)c1[N+]#[C-] |(-5.33,-5.78,;-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,;-4.05,-3.44,;-5.38,-2.67,;-6.72,-1.9,)|
Show InChI InChI=1S/C20H18N4O3/c1-11-8-9-22-19(16(11)21-4)27-14-6-7-15(12(2)10-14)17-13(3)18(25)23-20(26)24(17)5/h6-10H,1-3,5H3,(H,23,25,26)
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 45.9n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160850
PNG
(US10093655, Example 20 | US9107923, 20)
Show SMILES CCc1cccnc1Oc1ccc(c(C)c1)-c1c(C)c(=O)[nH]c(=O)n1C |(-6.67,-3.47,;-5.33,-2.69,;-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/C20H21N3O3/c1-5-14-7-6-10-21-19(14)26-15-8-9-16(12(2)11-15)17-13(3)18(24)22-20(25)23(17)4/h6-11H,5H2,1-4H3,(H,22,24,25)
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 52.7n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160925
PNG
(US11014909, Example 15 | US9107923, 14 | US9107923...)
Show SMILES Cc1cc(Oc2ncccc2C(F)F)ccc1-c1c(C)c(=O)[nH]c(=O)n1C |(-5.33,-9.24,;-5.33,-7.7,;-6.67,-6.93,;-6.67,-5.39,;-8,-4.62,;-8,-3.08,;-6.67,-2.31,;-6.67,-.77,;-8,,;-9.34,-.77,;-9.34,-2.31,;-10.67,-3.08,;-12,-2.31,;-10.67,-4.62,;-5.33,-4.62,;-4,-5.39,;-4,-6.93,;-2.67,-7.7,;-1.33,-6.93,;-1.33,-5.39,;,-7.7,;1.33,-6.93,;,-9.24,;-1.33,-10.01,;-1.33,-11.55,;-2.67,-9.24,;-4,-10.01,)|
Show InChI InChI=1S/C19H17F2N3O3/c1-10-9-12(27-18-14(16(20)21)5-4-8-22-18)6-7-13(10)15-11(2)17(25)23-19(26)24(15)3/h4-9,16H,1-3H3,(H,23,25,26)
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 54.7n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160923
PNG
(US11014909, Example 12 | US9107923, 12)
Show SMILES CCn1c(c(C)c(=O)[nH]c1=O)-c1ccc(Oc2ncccc2C(F)F)cc1C |(-4,-11.55,;-4,-10.01,;-2.67,-9.24,;-2.67,-7.7,;-1.33,-6.93,;-1.33,-5.39,;,-7.7,;1.33,-6.93,;,-9.24,;-1.33,-10.01,;-1.33,-11.55,;-4,-6.93,;-4,-5.39,;-5.33,-4.62,;-6.67,-5.39,;-8,-4.62,;-8,-3.08,;-6.67,-2.31,;-6.67,-.77,;-8,,;-9.34,-.77,;-9.34,-2.31,;-10.67,-3.08,;-12,-2.31,;-10.67,-4.62,;-6.67,-6.93,;-5.33,-7.7,;-5.33,-9.24,)|
Show InChI InChI=1S/C20H19F2N3O3/c1-4-25-16(12(3)18(26)24-20(25)27)14-8-7-13(10-11(14)2)28-19-15(17(21)22)6-5-9-23-19/h5-10,17H,4H2,1-3H3,(H,24,26,27)
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 55.1n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160916
PNG
(US11014909, Example 5 | US9107923, 5)
Show SMILES CCn1c(c(C)c(=O)[nH]c1=O)-c1ccc(Oc2ncccc2Cl)cc1C |(-4,-11.55,;-4,-10.01,;-2.67,-9.24,;-2.67,-7.7,;-1.33,-6.93,;-1.33,-5.39,;,-7.7,;1.33,-6.93,;,-9.24,;-1.33,-10.01,;-1.33,-11.55,;-4,-6.93,;-4,-5.39,;-5.33,-4.62,;-6.67,-5.39,;-8,-4.62,;-8,-3.08,;-6.67,-2.31,;-6.67,-.77,;-8,,;-9.34,-.77,;-9.34,-2.31,;-10.67,-3.08,;-6.67,-6.93,;-5.33,-7.7,;-5.33,-9.24,)|
Show InChI InChI=1S/C19H18ClN3O3/c1-4-23-16(12(3)17(24)22-19(23)25)14-8-7-13(10-11(14)2)26-18-15(20)6-5-9-21-18/h5-10H,4H2,1-3H3,(H,22,24,25)
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 58n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160911
PNG
(US10093655, Example 81 | US11014909, Example 81 | ...)
Show SMILES Cc1cc(Oc2ncccc2C(F)F)ccc1-c1c(C)c(=O)[nH]c(=O)n1C1CC1 |(,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,-3.47,;-5.33,-1.15,;,-1.15,;1.33,-.38,;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,;3.23,-1.72,;4.77,-1.72,)|
Show InChI InChI=1S/C21H19F2N3O3/c1-11-10-14(29-20-16(18(22)23)4-3-9-24-20)7-8-15(11)17-12(2)19(27)25-21(28)26(17)13-5-6-13/h3-4,7-10,13,18H,5-6H2,1-2H3,(H,25,27,28)
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 58n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160927
PNG
(US11014909, Example 17 | US9107923, 16 | US9107923...)
Show SMILES Cc1cc(Oc2ncccc2C(F)F)ccc1-c1c(C)n[nH]c(=O)c1C |(-5.33,-9.24,;-5.33,-7.7,;-6.67,-6.93,;-6.67,-5.39,;-8,-4.62,;-8,-3.08,;-6.67,-2.31,;-6.67,-.77,;-8,,;-9.34,-.77,;-9.34,-2.31,;-10.67,-3.08,;-12,-2.31,;-10.67,-4.62,;-5.33,-4.62,;-4,-5.39,;-4,-6.93,;-2.67,-7.7,;-1.33,-6.93,;-1.33,-5.39,;,-7.7,;,-9.24,;-1.33,-10.01,;-1.33,-11.55,;-2.67,-9.24,;-4,-10.01,)|
Show InChI InChI=1S/C19H17F2N3O2/c1-10-9-13(26-19-15(17(20)21)5-4-8-22-19)6-7-14(10)16-11(2)18(25)24-23-12(16)3/h4-9,17H,1-3H3,(H,24,25)
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 59.1n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160882
PNG
(US10093655, Example 52 | US11014909, Example 52 | ...)
Show SMILES Cc1cc(Oc2ncccc2OC(F)(F)F)ccc1-c1c(C)c(=O)[nH]c(=O)n1C |(,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,-3.47,;-8,-4.24,;-8.16,-3.07,;-6.67,-5.01,;,-1.15,;1.33,-.38,;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/C19H16F3N3O4/c1-10-9-12(28-17-14(5-4-8-23-17)29-19(20,21)22)6-7-13(10)15-11(2)16(26)24-18(27)25(15)3/h4-9H,1-3H3,(H,24,26,27)
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 63.1n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160877
PNG
(US10093655, Example 47 | US11014909, Example 47 | ...)
Show SMILES CCc1c(-c2ccc(Oc3ncccc3C(F)F)cc2C)n(C)c(=O)[nH]c1=O |(1.33,5.78,;1.33,4.23,;2.67,3.47,;2.67,1.93,;1.33,1.15,;1.33,-.38,;,-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,-3.47,;-5.33,-1.15,;-1.33,1.15,;,1.93,;,3.47,;4,1.15,;4,-.38,;5.33,1.93,;6.67,1.15,;5.33,3.47,;4,4.23,;4,5.78,)|
Show InChI InChI=1S/C20H19F2N3O3/c1-4-13-16(25(3)20(27)24-18(13)26)14-8-7-12(10-11(14)2)28-19-15(17(21)22)6-5-9-23-19/h5-10,17H,4H2,1-3H3,(H,24,26,27)
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 82.3n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160920
PNG
(US11014909, Example 10 | US9107923, 10 | US9107923...)
Show SMILES Cc1cnc(Oc2ccc(c(C)c2)-c2c(C)c(=O)[nH]c(=O)n2C)c(Cl)c1 |(-8,1.54,;-8,,;-6.67,-.77,;-6.67,-2.31,;-8,-3.08,;-8,-4.62,;-6.67,-5.39,;-5.33,-4.62,;-4,-5.39,;-4,-6.93,;-5.33,-7.7,;-5.33,-9.24,;-6.67,-6.93,;-2.67,-7.7,;-1.33,-6.93,;-1.33,-5.39,;,-7.7,;1.33,-6.93,;,-9.24,;-1.33,-10.01,;-1.33,-11.55,;-2.67,-9.24,;-4,-10.01,;-9.34,-2.31,;-10.67,-3.08,;-9.34,-.77,)|
Show InChI InChI=1S/C19H18ClN3O3/c1-10-7-15(20)18(21-9-10)26-13-5-6-14(11(2)8-13)16-12(3)17(24)22-19(25)23(16)4/h5-9H,1-4H3,(H,22,24,25)
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 82.3n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160870
PNG
(US10093655, Example 40 | US11014909, Example 40 | ...)
Show SMILES Cc1cc(Oc2ncccc2O)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/C18H17N3O4/c1-10-9-12(25-17-14(22)5-4-8-19-17)6-7-13(10)15-11(2)16(23)20-18(24)21(15)3/h4-9,22H,1-3H3,(H,20,23,24)
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 82.7n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160852
PNG
(US10093655, Example 22 | US11014909, Example 22 | ...)
Show SMILES CCc1c(-c2ccc(Oc3ncccc3Cl)cc2)n(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C18H16ClN3O3/c1-3-13-15(22(2)18(24)21-16(13)23)11-6-8-12(9-7-11)25-17-14(19)5-4-10-20-17/h4-10H,3H2,1-2H3,(H,21,23,24)
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 82.7n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160888
PNG
(US10093655, Example 58 | US11014909, Example 58 | ...)
Show SMILES Cc1cc(Oc2ncccc2OC(F)F)ccc1-c1c(C)n[nH]c(=O)c1C |(1.33,3.47,;1.33,1.93,;,1.15,;,-.38,;-1.33,-1.15,;-1.33,-2.69,;,-3.47,;,-5,;-1.33,-5.78,;-2.67,-5,;-2.67,-3.47,;-4,-2.69,;-5.33,-3.46,;-6.67,-2.69,;-5.33,-5,;1.33,-1.15,;2.67,-.38,;2.67,1.15,;4,1.93,;5.33,1.15,;5.33,-.38,;6.67,1.93,;6.67,3.47,;5.33,4.23,;5.33,5.78,;4,3.47,;2.67,4.23,)|
Show InChI InChI=1S/C19H17F2N3O3/c1-10-9-13(26-18-15(27-19(20)21)5-4-8-22-18)6-7-14(10)16-11(2)17(25)24-23-12(16)3/h4-9,19H,1-3H3,(H,24,25)
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 86.2n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160905
PNG
(US10093655, Example 75 | US11014909, Example 75 | ...)
Show SMILES Cc1cc(Oc2ncccc2OC(F)F)ccc1-c1c(C)ncc(=O)n1C |(1.33,3.47,;1.33,1.93,;,1.15,;,-.38,;-1.33,-1.15,;-1.33,-2.69,;,-3.47,;,-5,;-1.33,-5.78,;-2.67,-5,;-2.67,-3.47,;-4,-2.69,;-5.33,-3.47,;-5.33,-5,;-6.67,-2.69,;1.33,-1.15,;2.67,-.38,;2.67,1.15,;4,1.93,;5.33,1.15,;5.33,-.38,;6.67,1.93,;6.67,3.47,;5.33,4.23,;5.33,5.78,;4,3.47,;2.67,4.23,)|
Show InChI InChI=1S/C19H17F2N3O3/c1-11-9-13(26-18-15(27-19(20)21)5-4-8-22-18)6-7-14(11)17-12(2)23-10-16(25)24(17)3/h4-10,19H,1-3H3
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 87n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160874
PNG
(US10093655, Example 44 | US11014909, Example 44 | ...)
Show SMILES Cc1c(-c2ccc(Oc3ncccc3Cl)cc2)n(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C17H14ClN3O3/c1-10-14(21(2)17(23)20-15(10)22)11-5-7-12(8-6-11)24-16-13(18)4-3-9-19-16/h3-9H,1-2H3,(H,20,22,23)
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 87.3n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160858
PNG
(US10093655, Example 28 | US11014909, Example 28 | ...)
Show SMILES Cc1cc(Oc2ncc(Cl)cc2Cl)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,;-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/C18H15Cl2N3O3/c1-9-6-12(26-17-14(20)7-11(19)8-21-17)4-5-13(9)15-10(2)16(24)22-18(25)23(15)3/h4-8H,1-3H3,(H,22,24,25)
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 88.9n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160854
PNG
(US10093655, Example 24 | US11014909, Example 24 | ...)
Show SMILES Cc1cc(Cl)cnc1Oc1ccc(c(C)c1)-c1c(C)c(=O)[nH]c(=O)n1C |(-6,-1.93,;-4.67,-2.7,;-4.67,-4.24,;-3.33,-5.01,;-3.33,-6.54,;-2,-4.24,;-2,-2.7,;-3.33,-1.93,;-3.33,-.39,;-2,.38,;-.67,-.39,;.67,.38,;.67,1.92,;-.67,2.69,;-.67,4.23,;-2,1.92,;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/C19H18ClN3O3/c1-10-8-14(26-18-11(2)7-13(20)9-21-18)5-6-15(10)16-12(3)17(24)22-19(25)23(16)4/h5-9H,1-4H3,(H,22,24,25)
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 92.1n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160881
PNG
(US10093655, Example 51 | US11014909, Example 51 | ...)
Show SMILES Cc1cc(Oc2ncccc2OC(F)(F)F)ccc1-c1c(C)n[nH]c(=O)c1C |(.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,-3.46,;-7.34,-4.23,;-7.49,-3.07,;-6,-5,;.67,-1.15,;2,-.38,;2,1.15,;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,)|
Show InChI InChI=1S/C19H16F3N3O3/c1-10-9-13(27-18-15(5-4-8-23-18)28-19(20,21)22)6-7-14(10)16-11(2)17(26)25-24-12(16)3/h4-9H,1-3H3,(H,25,26)
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 94.9n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160909
PNG
(US10093655, Example 79 | US11014909, Example 79 | ...)
Show SMILES Cc1cnc(=O)n(C)c1-c1ccc(Oc2ncccc2C2CC2)cc1C |(4.77,-.38,;4.77,1.15,;6.1,1.93,;6.1,3.47,;4.77,4.23,;4.77,5.78,;3.44,3.47,;2.1,4.23,;3.44,1.93,;2.1,1.15,;2.1,-.38,;.77,-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,;-.56,1.15,;.77,1.93,;.77,3.47,)|
Show InChI InChI=1S/C21H21N3O2/c1-13-11-16(26-20-18(15-6-7-15)5-4-10-22-20)8-9-17(13)19-14(2)12-23-21(25)24(19)3/h4-5,8-12,15H,6-7H2,1-3H3
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 109n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160883
PNG
(US10093655, Example 53 | US11014909, Example 53 | ...)
Show SMILES Cc1c(-c2ccc(Oc3ncccc3OC(F)F)cc2)n(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C18H15F2N3O4/c1-10-14(23(2)18(25)22-15(10)24)11-5-7-12(8-6-11)26-16-13(27-17(19)20)4-3-9-21-16/h3-9,17H,1-2H3,(H,22,24,25)
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 109n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160856
PNG
(US10093655, Example 26 | US11014909, Example 26 | ...)
Show SMILES Cc1cc(Oc2ncc(Cl)cc2C(F)F)ccc1-c1c(C)c(=O)[nH]c(=O)n1C |(,4.23,;,2.69,;-1.33,1.92,;-1.33,.38,;-2.67,-.39,;-2.67,-1.93,;-1.33,-2.7,;-1.33,-4.24,;-2.67,-5.01,;-2.67,-6.54,;-4,-4.24,;-4,-2.7,;-5.33,-1.93,;-6.67,-2.69,;-5.33,-.39,;,-.39,;1.33,.38,;1.33,1.92,;2.67,2.69,;2.67,4.23,;1.33,5,;4,5,;4,6.54,;5.33,4.23,;5.33,2.69,;6.67,1.92,;4,1.92,;4,.38,)|
Show InChI InChI=1S/C19H16ClF2N3O3/c1-9-6-12(28-18-14(16(21)22)7-11(20)8-23-18)4-5-13(9)15-10(2)17(26)24-19(27)25(15)3/h4-8,16H,1-3H3,(H,24,26,27)
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 117n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160914
PNG
(US10093655, Example 4 | US11014909, Example 4 | US...)
Show SMILES Cc1cc(Oc2ncc(F)cc2Cl)ccc1-c1c(C)c(=O)[nH]c(=O)n1C |(-5.33,-9.24,;-5.33,-7.7,;-6.67,-6.93,;-6.67,-5.39,;-8,-4.62,;-8,-3.08,;-6.67,-2.31,;-6.67,-.77,;-8,,;-8,1.54,;-9.34,-.77,;-9.34,-2.31,;-10.67,-3.08,;-5.33,-4.62,;-4,-5.39,;-4,-6.93,;-2.67,-7.7,;-1.33,-6.93,;-1.33,-5.39,;,-7.7,;1.33,-6.93,;,-9.24,;-1.33,-10.01,;-1.33,-11.55,;-2.67,-9.24,;-4,-10.01,)|
Show InChI InChI=1S/C18H15ClFN3O3/c1-9-6-12(26-17-14(19)7-11(20)8-21-17)4-5-13(9)15-10(2)16(24)22-18(25)23(15)3/h4-8H,1-3H3,(H,22,24,25)
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 118n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160920
PNG
(US11014909, Example 10 | US9107923, 10 | US9107923...)
Show SMILES Cc1cnc(Oc2ccc(c(C)c2)-c2c(C)c(=O)[nH]c(=O)n2C)c(Cl)c1 |(-8,1.54,;-8,,;-6.67,-.77,;-6.67,-2.31,;-8,-3.08,;-8,-4.62,;-6.67,-5.39,;-5.33,-4.62,;-4,-5.39,;-4,-6.93,;-5.33,-7.7,;-5.33,-9.24,;-6.67,-6.93,;-2.67,-7.7,;-1.33,-6.93,;-1.33,-5.39,;,-7.7,;1.33,-6.93,;,-9.24,;-1.33,-10.01,;-1.33,-11.55,;-2.67,-9.24,;-4,-10.01,;-9.34,-2.31,;-10.67,-3.08,;-9.34,-.77,)|
Show InChI InChI=1S/C19H18ClN3O3/c1-10-7-15(20)18(21-9-10)26-13-5-6-14(11(2)8-13)16-12(3)17(24)22-19(25)23(16)4/h5-9H,1-4H3,(H,22,24,25)
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 120n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160864
PNG
(US10093655, Example 34 | US11014909, Example 34 | ...)
Show SMILES COc1cc(Oc2ccc(c(C)c2)-c2c(C)c(=O)[nH]c(=O)n2C)ncc1F |(-6,-6.54,;-6,-5,;-4.67,-4.23,;-4.67,-2.69,;-3.33,-1.93,;-3.33,-.38,;-2,.38,;-.67,-.38,;.67,.38,;.67,1.93,;-.67,2.69,;-.67,4.23,;-2,1.93,;2,2.69,;2,4.23,;.67,5,;3.33,5,;3.33,6.54,;4.67,4.23,;4.67,2.69,;6,1.93,;3.33,1.93,;3.33,.38,;-2,-2.69,;-2,-4.23,;-3.33,-5,;-3.33,-6.54,)|
Show InChI InChI=1S/C19H18FN3O4/c1-10-7-12(27-16-8-15(26-4)14(20)9-21-16)5-6-13(10)17-11(2)18(24)22-19(25)23(17)3/h5-9H,1-4H3,(H,22,24,25)
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 120n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160900
PNG
(US10093655, Example 70 | US11014909, Example 70 | ...)
Show SMILES Cc1cc(F)cnc1Oc1ccc(c(C)c1)-c1c(C)n[nH]c(=O)c1C |(-5.33,-1.93,;-4,-2.69,;-4,-4.23,;-2.67,-5,;-2.67,-6.54,;-1.33,-4.23,;-1.33,-2.69,;-2.67,-1.93,;-2.67,-.38,;-1.33,.38,;,-.38,;1.33,.38,;1.33,1.93,;,2.69,;,4.23,;-1.33,1.93,;2.67,2.69,;4,1.93,;4,.38,;5.33,2.69,;5.33,4.23,;4,5,;4,6.54,;2.67,4.23,;1.33,5,)|
Show InChI InChI=1S/C19H18FN3O2/c1-10-8-15(25-19-11(2)7-14(20)9-21-19)5-6-16(10)17-12(3)18(24)23-22-13(17)4/h5-9H,1-4H3,(H,23,24)
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 138n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160860
PNG
(US10093655, Example 30 | US11014909, Example 30 | ...)
Show SMILES Cc1cc(Oc2ccccn2)ccc1-c1c(C)c(=O)[nH]c(=O)n1C |(-1.33,3.47,;-1.33,1.93,;-2.67,1.15,;-2.67,-.38,;-4,-1.15,;-4,-2.69,;-5.33,-3.47,;-5.33,-5,;-4,-5.78,;-2.67,-5,;-2.67,-3.47,;-1.33,-1.15,;,-.38,;,1.15,;1.33,1.93,;1.33,3.47,;,4.23,;2.67,4.23,;2.67,5.78,;4,3.47,;4,1.93,;5.33,1.15,;2.67,1.15,;2.67,-.38,)|
Show InChI InChI=1S/C18H17N3O3/c1-11-10-13(24-15-6-4-5-9-19-15)7-8-14(11)16-12(2)17(22)20-18(23)21(16)3/h4-10H,1-3H3,(H,20,22,23)
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 156n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160872
PNG
(US10093655, Example 42 | US11014909, Example 42 | ...)
Show SMILES COc1cc(Oc2ccc(c(C)c2)-c2c(C)c(=O)[nH]c(=O)n2C)ncc1C |(-6,-6.54,;-6,-5,;-4.67,-4.24,;-4.67,-2.7,;-3.33,-1.93,;-3.33,-.39,;-2,.38,;-.67,-.39,;.67,.38,;.67,1.92,;-.67,2.69,;-.67,4.23,;-2,1.92,;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,;-2,-2.7,;-2,-4.24,;-3.33,-5.01,;-3.33,-6.54,)|
Show InChI InChI=1S/C20H21N3O4/c1-11-8-14(27-17-9-16(26-5)12(2)10-21-17)6-7-15(11)18-13(3)19(24)22-20(25)23(18)4/h6-10H,1-5H3,(H,22,24,25)
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 187n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160901
PNG
(US10093655, Example 71 | US11014909, Example 71 | ...)
Show SMILES Cc1cc(Oc2ncccc2C2CC2)ccc1-c1c(C)ncc(=O)n1C |(.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/c1-13-11-16(26-21-18(15-6-7-15)5-4-10-22-21)8-9-17(13)20-14(2)23-12-19(25)24(20)3/h4-5,8-12,15H,6-7H2,1-3H3
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 216n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160863
PNG
(US10093655, Example 33 | US11014909, Example 33 | ...)
Show SMILES Cc1cc(Oc2ncccc2OC2CC2)ccc1-c1c(C)c(=O)[nH]c(=O)n1C |(.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,;-5.9,-3.46,;-7.44,-3.46,;-6.67,-4.8,;.77,-1.15,;2.1,-.38,;2.1,1.15,;3.44,1.93,;3.44,3.47,;2.1,4.23,;4.77,4.23,;4.77,5.78,;6.1,3.47,;6.1,1.93,;7.44,1.15,;4.77,1.15,;4.77,-.38,)|
Show InChI InChI=1S/C21H21N3O4/c1-12-11-15(28-20-17(5-4-10-22-20)27-14-6-7-14)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)
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 224n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160902
PNG
(US10093655, Example 72 | US11014909, Example 72 | ...)
Show SMILES Cc1cc(Oc2ncc(Cl)c(C)c2Cl)ccc1-c1c(C)ncc(=O)n1C |(2.67,-.38,;1.33,.38,;,-.38,;-1.33,.38,;-2.67,-.38,;-2.67,-1.93,;-1.33,-2.69,;-1.33,-4.23,;-2.67,-5,;-2.67,-6.54,;-4,-4.23,;-5.33,-5,;-4,-2.69,;-5.33,-1.93,;-1.33,1.93,;,2.69,;1.33,1.93,;2.67,2.69,;4,1.93,;4,.38,;5.33,2.69,;5.33,4.23,;4,5,;4,6.54,;2.67,4.23,;1.33,5,)|
Show InChI InChI=1S/C19H17Cl2N3O2/c1-10-7-13(26-19-17(21)11(2)15(20)8-23-19)5-6-14(10)18-12(3)22-9-16(25)24(18)4/h5-9H,1-4H3
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 227n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160865
PNG
(US10093655, Example 35 | US11014909, Example 35 | ...)
Show SMILES Cc1cc(Oc2ncccc2N2CCC2)ccc1-c1c(C)c(=O)[nH]c(=O)n1C |(-.02,3.47,;-.02,1.93,;-1.35,1.15,;-1.35,-.38,;-2.69,-1.15,;-2.69,-2.69,;-1.35,-3.47,;-1.35,-5,;-2.69,-5.78,;-4.02,-5,;-4.02,-3.47,;-5.11,-2.38,;-5.11,-.84,;-6.65,-.84,;-6.65,-2.38,;-.02,-1.15,;1.31,-.38,;1.31,1.15,;2.65,1.93,;2.65,3.47,;1.31,4.23,;3.98,4.23,;3.98,5.78,;5.32,3.47,;5.32,1.93,;6.65,1.15,;3.98,1.15,;3.98,-.38,)|
Show InChI InChI=1S/C21H22N4O3/c1-13-12-15(28-20-17(6-4-9-22-20)25-10-5-11-25)7-8-16(13)18-14(2)19(26)23-21(27)24(18)3/h4,6-9,12H,5,10-11H2,1-3H3,(H,23,26,27)
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 246n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160879
PNG
(US10093655, Example 49 | US11014909, Example 49 | ...)
Show SMILES Cc1cc(Oc2ncccc2C2COC2)ccc1-c1c(C)n[nH]c(=O)c1C |(.94,3.47,;.94,1.93,;-.39,1.15,;-.39,-.38,;-1.72,-1.15,;-1.72,-2.69,;-.39,-3.47,;-.39,-5,;-1.72,-5.78,;-3.06,-5,;-3.06,-3.47,;-4.39,-2.69,;-4.79,-1.21,;-6.28,-1.61,;-5.88,-3.09,;.94,-1.15,;2.28,-.38,;2.28,1.15,;3.61,1.93,;4.94,1.15,;4.94,-.38,;6.28,1.93,;6.28,3.47,;4.94,4.23,;4.94,5.78,;3.61,3.47,;2.28,4.23,)|
Show InChI InChI=1S/C21H21N3O3/c1-12-9-16(27-21-18(5-4-8-22-21)15-10-26-11-15)6-7-17(12)19-13(2)20(25)24-23-14(19)3/h4-9,15H,10-11H2,1-3H3,(H,24,25)
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 288n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160851
PNG
(US10093655, Example 21 | US11014909, Example 21 | ...)
Show SMILES CCn1c(-c2ccc(Oc3ncccc3Cl)cc2)c(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C18H16ClN3O3/c1-3-22-15(11(2)16(23)21-18(22)24)12-6-8-13(9-7-12)25-17-14(19)5-4-10-20-17/h4-10H,3H2,1-2H3,(H,21,23,24)
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 314n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160907
PNG
(US10093655, Example 77 | US11014909, Example 77 | ...)
Show SMILES Cc1cnc(=O)n(C)c1-c1ccc(Oc2ncccc2C(F)(F)F)cc1C |(4,-.38,;4,1.15,;5.33,1.93,;5.33,3.47,;4,4.23,;4,5.78,;2.67,3.47,;1.33,4.23,;2.67,1.93,;1.33,1.15,;1.33,-.38,;,-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,;-5.33,-1.15,;-6.67,-3.46,;-1.33,1.15,;,1.93,;,3.47,)|
Show InChI InChI=1S/C19H16F3N3O2/c1-11-9-13(27-17-15(19(20,21)22)5-4-8-23-17)6-7-14(11)16-12(2)10-24-18(26)25(16)3/h4-10H,1-3H3
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 337n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160897
PNG
(US10093655, Example 67 | US11014909, Example 67 | ...)
Show SMILES Cc1ccnc(Oc2ccc(cc2)-c2c(C)n[nH]c(=O)c2C)c1
Show InChI InChI=1S/C18H17N3O2/c1-11-8-9-19-16(10-11)23-15-6-4-14(5-7-15)17-12(2)18(22)21-20-13(17)3/h4-10H,1-3H3,(H,21,22)
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 345n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160910
PNG
(US10093655, Example 80 | US11014909, Example 80 | ...)
Show SMILES Cc1cnc(=O)n(C)c1-c1ccc(Oc2ncccc2Cl)cc1C |(4,-.38,;4,1.15,;5.33,1.93,;5.33,3.47,;4,4.23,;4,5.78,;2.67,3.47,;1.33,4.23,;2.67,1.93,;1.33,1.15,;1.33,-.38,;,-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,;-1.33,1.15,;,1.93,;,3.47,)|
Show InChI InChI=1S/C18H16ClN3O2/c1-11-9-13(24-17-15(19)5-4-8-20-17)6-7-14(11)16-12(2)10-21-18(23)22(16)3/h4-10H,1-3H3
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 349n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160906
PNG
(US10093655, Example 76 | US11014909, Example 76 | ...)
Show SMILES Cc1cnc(=O)n(C)c1-c1ccc(Oc2ncc(Cl)c(C)c2Cl)cc1C |(4,.38,;4,1.93,;5.33,2.69,;5.33,4.23,;4,5,;4,6.54,;2.67,4.23,;1.33,5,;2.67,2.69,;1.33,1.93,;1.33,.38,;,-.38,;-1.33,.38,;-2.67,-.38,;-2.67,-1.93,;-1.33,-2.69,;-1.33,-4.23,;-2.67,-5,;-2.67,-6.54,;-4,-4.23,;-5.33,-5,;-4,-2.69,;-5.33,-1.93,;-1.33,1.93,;,2.69,;,4.23,)|
Show InChI InChI=1S/C19H17Cl2N3O2/c1-10-7-13(26-18-16(21)12(3)15(20)9-22-18)5-6-14(10)17-11(2)8-23-19(25)24(17)4/h5-9H,1-4H3
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 354n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160904
PNG
(US10093655, Example 74 | US11014909, Example 74 | ...)
Show SMILES Cc1cc(Oc2ncccc2Cl)ccc1-c1c(C)ncc(=O)n1C |(,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/c1-11-9-13(24-18-15(19)5-4-8-20-18)6-7-14(11)17-12(2)21-10-16(23)22(17)3/h4-10H,1-3H3
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 381n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160886
PNG
(US10093655, Example 56 | US11014909, Example 56 | ...)
Show SMILES Cc1c(-c2ccc(Oc3ncccc3C(F)F)cc2C#N)n(C)c(=O)[nH]c1=O |(1.33,4.23,;2.67,3.47,;2.67,1.93,;1.33,1.15,;1.33,-.38,;,-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,-3.47,;-5.33,-1.15,;-1.33,1.15,;0,1.98,;0,3.52,;0,5.06,;4,1.15,;4,-.38,;5.33,1.93,;6.67,1.15,;5.33,3.47,;4,4.23,;4,5.78,)|
Show InChI InChI=1S/C19H14F2N4O3/c1-10-15(25(2)19(27)24-17(10)26)13-6-5-12(8-11(13)9-22)28-18-14(16(20)21)4-3-7-23-18/h3-8,16H,1-2H3,(H,24,26,27)
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 428n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160859
PNG
(US10093655, Example 29 | US11014909, Example 29 | ...)
Show SMILES Cc1cc(Oc2ncccc2F)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/C18H16FN3O3/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)
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 489n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160862
PNG
(US10093655, Example 32 | US11014909, Example 32 | ...)
Show SMILES Cc1cc(Oc2ncccc2N2CC(F)C2)ccc1-c1c(C)c(=O)[nH]c(=O)n1C |(.53,3.47,;.53,1.93,;-.81,1.15,;-.81,-.38,;-2.14,-1.15,;-2.14,-2.69,;-.81,-3.47,;-.81,-5,;-2.14,-5.78,;-3.48,-5,;-3.48,-3.47,;-4.56,-2.38,;-4.56,-.84,;-6.1,-.84,;-7.19,.25,;-6.1,-2.38,;.53,-1.15,;1.86,-.38,;1.86,1.15,;3.19,1.93,;3.19,3.47,;1.86,4.23,;4.53,4.23,;4.53,5.78,;5.86,3.47,;5.86,1.93,;7.19,1.15,;4.53,1.15,;4.53,-.38,)|
Show InChI InChI=1S/C21H21FN4O3/c1-12-9-15(29-20-17(5-4-8-23-20)26-10-14(22)11-26)6-7-16(12)18-13(2)19(27)24-21(28)25(18)3/h4-9,14H,10-11H2,1-3H3,(H,24,27,28)
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 650n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160890
PNG
(US10093655, Example 60 | US11014909, Example 60 | ...)
Show SMILES COC(=O)c1cccnc1Oc1ccc(c(C)c1)-c1c(C)n[nH]c(=O)c1C |(-6.67,-2.69,;-5.33,-3.46,;-4,-2.69,;-4,-1.15,;-2.67,-3.47,;-2.67,-5,;-1.33,-5.78,;,-5,;,-3.47,;-1.33,-2.69,;-1.33,-1.15,;,-.38,;1.33,-1.15,;2.67,-.38,;2.67,1.15,;1.33,1.93,;1.33,3.47,;,1.15,;4,1.93,;5.33,1.15,;5.33,-.38,;6.67,1.93,;6.67,3.47,;5.33,4.23,;5.33,5.78,;4,3.47,;2.67,4.23,)|
Show InChI InChI=1S/C20H19N3O4/c1-11-10-14(27-19-16(20(25)26-4)6-5-9-21-19)7-8-15(11)17-12(2)18(24)23-22-13(17)3/h5-10H,1-4H3,(H,23,24)
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 767n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160866
PNG
(US10093655, Example 36 | US11014909, Example 36 | ...)
Show SMILES Cc1cc(Oc2ncccc2N2CC(F)(F)C2)ccc1-c1c(C)c(=O)[nH]c(=O)n1C |(1.05,3.47,;1.05,1.93,;-.29,1.15,;-.29,-.38,;-1.62,-1.15,;-1.62,-2.69,;-.29,-3.47,;-.29,-5,;-1.62,-5.78,;-2.95,-5,;-2.95,-3.47,;-4.29,-2.69,;-4.69,-1.21,;-6.17,-1.61,;-7.71,-1.61,;-6.94,-.27,;-5.78,-3.09,;1.05,-1.15,;2.38,-.38,;2.38,1.15,;3.71,1.93,;3.71,3.47,;2.38,4.23,;5.05,4.23,;5.05,5.78,;6.38,3.47,;6.38,1.93,;7.71,1.15,;5.05,1.15,;5.05,-.38,)|
Show InChI InChI=1S/C21H20F2N4O3/c1-12-9-14(6-7-15(12)17-13(2)18(28)25-20(29)26(17)3)30-19-16(5-4-8-24-19)27-10-21(22,23)11-27/h4-9H,10-11H2,1-3H3,(H,25,28,29)
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 826n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM160889
PNG
(US10093655, Example 59 | US11014909, Example 59 | ...)
Show SMILES Cc1cc(Oc2ncccc2C(N)=O)ccc1-c1c(C)n[nH]c(=O)c1C |(.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,-3.46,;-4.67,-1.15,;.67,-1.15,;2,-.38,;2,1.15,;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,)|
Show InChI InChI=1S/C19H18N4O3/c1-10-9-13(26-19-15(17(20)24)5-4-8-21-19)6-7-14(10)16-11(2)18(25)23-22-12(16)3/h4-9H,1-3H3,(H2,20,24)(H,23,25)
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 1.22E+3n/an/an/an/an/an/an/an/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., Dif...

US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%