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Patent code US10239870

Compile Data Set for Download or QSAR

Found 462 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dopamine receptor D2 and D3


(Rattus norvegicus (Rat))
BDBM50192240
PNG
(CHEMBL3941818 | US10239870, Example 278)
Show SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccc(cc1)-c1ncco1
Show InChI InChI=1/C28H28F3N5OS/c1-35-24(20-3-5-21(6-4-20)25-32-12-15-37-25)33-34-26(35)38-16-2-13-36-14-11-27(18-36)17-23(27)19-7-9-22(10-8-19)28(29,30)31/h3-10,12,15,23H,2,11,13-14,16-18H2,1H3/t23-,27+/s2
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0.0630n/an/an/an/an/an/an/an/a



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Assay Description
[125I]-7OH-PIPAT Binding Assay at rat native D3 receptor on membranes from rat ventral striatum. Homogenates from frozen rat brain ventral striatum (...


US Patent US10239870 (2019)

More data for this
Ligand-Target Pair
Dopamine receptor D2 and D3


(Rattus norvegicus (Rat))
BDBM372015
PNG
(US10239870, Example 275)
Show SMILES Cc1nc(no1)-c1ccc(cc1)-c1nnc(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)n1C
Show InChI InChI=1/C28H29F3N6OS/c1-18-32-24(35-38-18)20-4-6-21(7-5-20)25-33-34-26(36(25)2)39-15-3-13-37-14-12-27(17-37)16-23(27)19-8-10-22(11-9-19)28(29,30)31/h4-11,23H,3,12-17H2,1-2H3/t23-,27+/s2
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0.117n/an/an/an/an/an/an/an/a



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Assay Description
[125I]-7OH-PIPAT Binding Assay at rat native D3 receptor on membranes from rat ventral striatum. Homogenates from frozen rat brain ventral striatum (...


US Patent US10239870 (2019)

More data for this
Ligand-Target Pair
Dopamine receptor D2 and D3


(Rattus norvegicus (Rat))
BDBM50192317
PNG
(CHEMBL3899125 | US10239870, Example 281)
Show SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccc(cc1)C(N)=O
Show InChI InChI=1/C26H28F3N5OS/c1-33-23(19-5-3-18(4-6-19)22(30)35)31-32-24(33)36-14-2-12-34-13-11-25(16-34)15-21(25)17-7-9-20(10-8-17)26(27,28)29/h3-10,21H,2,11-16H2,1H3,(H2,30,35)/t21-,25+/s2
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Assay Description
[125I]-7OH-PIPAT Binding Assay at rat native D3 receptor on membranes from rat ventral striatum. Homogenates from frozen rat brain ventral striatum (...


US Patent US10239870 (2019)

More data for this
Ligand-Target Pair
Dopamine receptor D2 and D3


(Rattus norvegicus (Rat))
BDBM372014
PNG
(US10239870, Example 274)
Show SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccc(cc1)-c1nnco1
Show InChI InChI=1/C27H27F3N6OS/c1-35-23(19-3-5-20(6-4-19)24-33-31-17-37-24)32-34-25(35)38-14-2-12-36-13-11-26(16-36)15-22(26)18-7-9-21(10-8-18)27(28,29)30/h3-10,17,22H,2,11-16H2,1H3/t22-,26+/s2
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Assay Description
[125I]-7OH-PIPAT Binding Assay at rat native D3 receptor on membranes from rat ventral striatum. Homogenates from frozen rat brain ventral striatum (...


US Patent US10239870 (2019)

More data for this
Ligand-Target Pair
Dopamine receptor D2 and D3


(Rattus norvegicus (Rat))
BDBM50192319
PNG
(CHEMBL3920167 | US10239870, Example 279)
Show SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1cccc(c1)-c1ncco1
Show InChI InChI=1/C28H28F3N5OS/c1-35-24(20-4-2-5-21(16-20)25-32-11-14-37-25)33-34-26(35)38-15-3-12-36-13-10-27(18-36)17-23(27)19-6-8-22(9-7-19)28(29,30)31/h2,4-9,11,14,16,23H,3,10,12-13,15,17-18H2,1H3/t23-,27+/s2
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0.182n/an/an/an/an/an/an/an/a



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Assay Description
[125I]-7OH-PIPAT Binding Assay at rat native D3 receptor on membranes from rat ventral striatum. Homogenates from frozen rat brain ventral striatum (...


US Patent US10239870 (2019)

More data for this
Ligand-Target Pair
Dopamine receptor D2 and D3


(Rattus norvegicus (Rat))
BDBM371876
PNG
(US10239870, Example 89 | US10239870, Example 94)
Show SMILES Cn1c(SCCCN2CC[C@]3(CC3c3ccc(cc3)C(F)(F)F)C2)nnc1C1CCCCC1
Show InChI InChI=1/C25H33F3N4S/c1-31-22(19-6-3-2-4-7-19)29-30-23(31)33-15-5-13-32-14-12-24(17-32)16-21(24)18-8-10-20(11-9-18)25(26,27)28/h8-11,19,21H,2-7,12-17H2,1H3/t21?,24-/s2
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Assay Description
[125I]-7OH-PIPAT Binding Assay at rat native D3 receptor on membranes from rat ventral striatum. Homogenates from frozen rat brain ventral striatum (...


US Patent US10239870 (2019)

More data for this
Ligand-Target Pair
Dopamine receptor D2 and D3


(Rattus norvegicus (Rat))
BDBM372012
PNG
(US10239870, Example 272)
Show SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccc2[nH]cnc2n1
Show InChI InChI=1/C25H26F3N7S/c1-34-22(20-8-7-19-21(31-20)30-15-29-19)32-33-23(34)36-12-2-10-35-11-9-24(14-35)13-18(24)16-3-5-17(6-4-16)25(26,27)28/h3-8,15,18H,2,9-14H2,1H3,(H,29,30,31)/t18-,24+/s2
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Assay Description
[125I]-7OH-PIPAT Binding Assay at rat native D3 receptor on membranes from rat ventral striatum. Homogenates from frozen rat brain ventral striatum (...


US Patent US10239870 (2019)

More data for this
Ligand-Target Pair
Dopamine receptor D2 and D3


(Rattus norvegicus (Rat))
BDBM50192318
PNG
(CHEMBL3979523 | US10239870, Example 284)
Show SMILES CC(=O)c1ccc(cc1)-c1nnc(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)n1C
Show InChI InChI=1/C27H29F3N4OS/c1-18(35)19-4-6-21(7-5-19)24-31-32-25(33(24)2)36-15-3-13-34-14-12-26(17-34)16-23(26)20-8-10-22(11-9-20)27(28,29)30/h4-11,23H,3,12-17H2,1-2H3/t23-,26+/s2
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Assay Description
[125I]-7OH-PIPAT Binding Assay at rat native D3 receptor on membranes from rat ventral striatum. Homogenates from frozen rat brain ventral striatum (...


US Patent US10239870 (2019)

More data for this
Ligand-Target Pair
Dopamine receptor D2 and D3


(Rattus norvegicus (Rat))
BDBM50192449
PNG
(CHEMBL3950540 | US10239870, Example 283)
Show SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccc(cc1)C#N
Show InChI InChI=1/C26H26F3N5S/c1-33-23(20-5-3-18(16-30)4-6-20)31-32-24(33)35-14-2-12-34-13-11-25(17-34)15-22(25)19-7-9-21(10-8-19)26(27,28)29/h3-10,22H,2,11-15,17H2,1H3/t22-,25+/s2
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Assay Description
[125I]-7OH-PIPAT Binding Assay at rat native D3 receptor on membranes from rat ventral striatum. Homogenates from frozen rat brain ventral striatum (...


US Patent US10239870 (2019)

More data for this
Ligand-Target Pair
Dopamine receptor D2 and D3


(Rattus norvegicus (Rat))
BDBM50192333
PNG
(CHEMBL3958201 | US10239870, Example 97)
Show SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1C1CCCCC1
Show InChI InChI=1/C25H33F3N4S/c1-31-22(19-6-3-2-4-7-19)29-30-23(31)33-15-5-13-32-14-12-24(17-32)16-21(24)18-8-10-20(11-9-18)25(26,27)28/h8-11,19,21H,2-7,12-17H2,1H3/t21-,24+/s2
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Assay Description
[125I]-7OH-PIPAT Binding Assay at rat native D3 receptor on membranes from rat ventral striatum. Homogenates from frozen rat brain ventral striatum (...


US Patent US10239870 (2019)

More data for this
Ligand-Target Pair
Dopamine receptor D2 and D3


(Rattus norvegicus (Rat))
BDBM371953
PNG
(US10239870, Example 190)
Show SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3F)C(F)(F)F)C2)nnc1-c1ccc(cn1)C(N)=O
Show InChI InChI=1/C25H26F4N6OS/c1-34-22(20-6-3-15(13-31-20)21(30)36)32-33-23(34)37-10-2-8-35-9-7-24(14-35)12-18(24)17-5-4-16(11-19(17)26)25(27,28)29/h3-6,11,13,18H,2,7-10,12,14H2,1H3,(H2,30,36)/t18-,24+/s2
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Assay Description
[125I]-7OH-PIPAT Binding Assay at rat native D3 receptor on membranes from rat ventral striatum. Homogenates from frozen rat brain ventral striatum (...


US Patent US10239870 (2019)

More data for this
Ligand-Target Pair
Dopamine receptor D2 and D3


(Rattus norvegicus (Rat))
BDBM50192445
PNG
(CHEMBL3959240 | US10239870, Example 285)
Show SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1/C25H28F3N5O2S2/c1-32-22(18-5-9-20(10-6-18)37(29,34)35)30-31-23(32)36-14-2-12-33-13-11-24(16-33)15-21(24)17-3-7-19(8-4-17)25(26,27)28/h3-10,21H,2,11-16H2,1H3,(H2,29,34,35)/t21-,24+/s2
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Assay Description
[125I]-7OH-PIPAT Binding Assay at rat native D3 receptor on membranes from rat ventral striatum. Homogenates from frozen rat brain ventral striatum (...


US Patent US10239870 (2019)

More data for this
Ligand-Target Pair
Dopamine receptor D2 and D3


(Rattus norvegicus (Rat))
BDBM371952
PNG
(US10239870, Example 189)
Show SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccc(cn1)C(N)=O
Show InChI InChI=1/C25H27F3N6OS/c1-33-22(20-8-5-17(14-30-20)21(29)35)31-32-23(33)36-12-2-10-34-11-9-24(15-34)13-19(24)16-3-6-18(7-4-16)25(26,27)28/h3-8,14,19H,2,9-13,15H2,1H3,(H2,29,35)/t19-,24+/s2
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Assay Description
[125I]-7OH-PIPAT Binding Assay at rat native D3 receptor on membranes from rat ventral striatum. Homogenates from frozen rat brain ventral striatum (...


US Patent US10239870 (2019)

More data for this
Ligand-Target Pair
Dopamine receptor D2 and D3


(Rattus norvegicus (Rat))
BDBM50192023
PNG
(CHEMBL3950254 | US10239870, Example 184)
Show SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccc(nc1)C(N)=O
Show InChI InChI=1/C25H27F3N6OS/c1-33-22(17-5-8-20(21(29)35)30-14-17)31-32-23(33)36-12-2-10-34-11-9-24(15-34)13-19(24)16-3-6-18(7-4-16)25(26,27)28/h3-8,14,19H,2,9-13,15H2,1H3,(H2,29,35)/t19-,24+/s2
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Assay Description
[125I]-7OH-PIPAT Binding Assay at rat native D3 receptor on membranes from rat ventral striatum. Homogenates from frozen rat brain ventral striatum (...


US Patent US10239870 (2019)

More data for this
Ligand-Target Pair
Dopamine receptor D2 and D3


(Rattus norvegicus (Rat))
BDBM371980
PNG
(US10239870, Example 228)
Show SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1cnc(cn1)C(N)=O
Show InChI InChI=1/C24H26F3N7OS/c1-33-21(19-13-29-18(12-30-19)20(28)35)31-32-22(33)36-10-2-8-34-9-7-23(14-34)11-17(23)15-3-5-16(6-4-15)24(25,26)27/h3-6,12-13,17H,2,7-11,14H2,1H3,(H2,28,35)/t17-,23+/s2
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Assay Description
[125I]-7OH-PIPAT Binding Assay at rat native D3 receptor on membranes from rat ventral striatum. Homogenates from frozen rat brain ventral striatum (...


US Patent US10239870 (2019)

More data for this
Ligand-Target Pair
Dopamine receptor D2 and D3


(Rattus norvegicus (Rat))
BDBM372016
PNG
(US10239870, Example 276)
Show SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccc(cc1)-n1cnnc1
Show InChI InChI=1/C27H28F3N7S/c1-35-24(20-5-9-22(10-6-20)37-17-31-32-18-37)33-34-25(35)38-14-2-12-36-13-11-26(16-36)15-23(26)19-3-7-21(8-4-19)27(28,29)30/h3-10,17-18,23H,2,11-16H2,1H3/t23-,26+/s2
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Assay Description
[125I]-7OH-PIPAT Binding Assay at rat native D3 receptor on membranes from rat ventral striatum. Homogenates from frozen rat brain ventral striatum (...


US Patent US10239870 (2019)

More data for this
Ligand-Target Pair
Dopamine receptor D2 and D3


(Rattus norvegicus (Rat))
BDBM372000
PNG
(US10239870, Example 258)
Show SMILES Cn1cccc1-c1nnc(SCCCN2CC[C@]3(CC3c3ccc(cc3)C(F)(F)F)C2)n1C
Show InChI InChI=1/C24H28F3N5S/c1-30-11-3-5-20(30)21-28-29-22(31(21)2)33-14-4-12-32-13-10-23(16-32)15-19(23)17-6-8-18(9-7-17)24(25,26)27/h3,5-9,11,19H,4,10,12-16H2,1-2H3/t19?,23-/s2
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Assay Description
[125I]-7OH-PIPAT Binding Assay at rat native D3 receptor on membranes from rat ventral striatum. Homogenates from frozen rat brain ventral striatum (...


US Patent US10239870 (2019)

More data for this
Ligand-Target Pair
Dopamine receptor D2 and D3


(Rattus norvegicus (Rat))
BDBM50192248
PNG
(CHEMBL3927895 | US10239870, Example 30)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3F)C(F)(F)F)C2)n1C
Show InChI InChI=1/C23H25F4N5OS/c1-14-19(33-13-28-14)20-29-30-21(31(20)2)34-9-3-7-32-8-6-22(12-32)11-17(22)16-5-4-15(10-18(16)24)23(25,26)27/h4-5,10,13,17H,3,6-9,11-12H2,1-2H3/t17-,22+/s2
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0.417n/an/an/an/an/an/an/an/a



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Assay Description
[125I]-7OH-PIPAT Binding Assay at rat native D3 receptor on membranes from rat ventral striatum. Homogenates from frozen rat brain ventral striatum (...


US Patent US10239870 (2019)

More data for this
Ligand-Target Pair
Dopamine receptor D2 and D3


(Rattus norvegicus (Rat))
BDBM371948
PNG
(US10239870, Example 185)
Show SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3F)C(F)(F)F)C2)nnc1-c1ccc(nc1)C(N)=O
Show InChI InChI=1/C25H26F4N6OS/c1-34-22(15-3-6-20(21(30)36)31-13-15)32-33-23(34)37-10-2-8-35-9-7-24(14-35)12-18(24)17-5-4-16(11-19(17)26)25(27,28)29/h3-6,11,13,18H,2,7-10,12,14H2,1H3,(H2,30,36)/t18-,24+/s2
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0.417n/an/an/an/an/an/an/an/a



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US Patent


Assay Description
[125I]-7OH-PIPAT Binding Assay at rat native D3 receptor on membranes from rat ventral striatum. Homogenates from frozen rat brain ventral striatum (...


US Patent US10239870 (2019)

More data for this
Ligand-Target Pair
Dopamine receptor D2 and D3


(Rattus norvegicus (Rat))
BDBM371858
PNG
(US10239870, Example 59 | US10239870, Example 60)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC[C@]3(CC3c3cc(Cl)cc(Cl)c3)C2)n1C
Show InChI InChI=1/C22H25Cl2N5OS/c1-14-19(30-13-25-14)20-26-27-21(28(20)2)31-7-3-5-29-6-4-22(12-29)11-18(22)15-8-16(23)10-17(24)9-15/h8-10,13,18H,3-7,11-12H2,1-2H3/t18?,22-/s2
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0.417n/an/an/an/an/an/an/an/a



Indivior UK Limited

US Patent


Assay Description
[125I]-7OH-PIPAT Binding Assay at rat native D3 receptor on membranes from rat ventral striatum. Homogenates from frozen rat brain ventral striatum (...


US Patent US10239870 (2019)

More data for this
Ligand-Target Pair
Dopamine receptor D2 and D3


(Rattus norvegicus (Rat))
BDBM50192030
PNG
(CHEMBL3970323 | US10239870, Example 289)
Show SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1cccc(c1)C(N)=O
Show InChI InChI=1/C26H28F3N5OS/c1-33-23(19-5-2-4-18(14-19)22(30)35)31-32-24(33)36-13-3-11-34-12-10-25(16-34)15-21(25)17-6-8-20(9-7-17)26(27,28)29/h2,4-9,14,21H,3,10-13,15-16H2,1H3,(H2,30,35)/t21-,25+/s2
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Assay Description
[125I]-7OH-PIPAT Binding Assay at rat native D3 receptor on membranes from rat ventral striatum. Homogenates from frozen rat brain ventral striatum (...


US Patent US10239870 (2019)

More data for this
Ligand-Target Pair
Dopamine receptor D2 and D3


(Rattus norvegicus (Rat))
BDBM372023
PNG
(US10239870, Example 286)
Show SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccc(CC#N)cc1
Show InChI InChI=1/C27H28F3N5S/c1-34-24(21-5-3-19(4-6-21)11-13-31)32-33-25(34)36-16-2-14-35-15-12-26(18-35)17-23(26)20-7-9-22(10-8-20)27(28,29)30/h3-10,23H,2,11-12,14-18H2,1H3/t23-,26+/s2
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Assay Description
[125I]-7OH-PIPAT Binding Assay at rat native D3 receptor on membranes from rat ventral striatum. Homogenates from frozen rat brain ventral striatum (...


US Patent US10239870 (2019)

More data for this
Ligand-Target Pair
Dopamine receptor D2 and D3


(Rattus norvegicus (Rat))
BDBM372005
PNG
(US10239870, Example 263)
Show SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1cnc(o1)-c1cccnc1
Show InChI InChI=1/C27H27F3N6OS/c1-35-23(22-16-32-24(37-22)19-4-2-10-31-15-19)33-34-25(35)38-13-3-11-36-12-9-26(17-36)14-21(26)18-5-7-20(8-6-18)27(28,29)30/h2,4-8,10,15-16,21H,3,9,11-14,17H2,1H3/t21-,26+/s2
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Assay Description
[125I]-7OH-PIPAT Binding Assay at rat native D3 receptor on membranes from rat ventral striatum. Homogenates from frozen rat brain ventral striatum (...


US Patent US10239870 (2019)

More data for this
Ligand-Target Pair
Dopamine receptor D2 and D3


(Rattus norvegicus (Rat))
BDBM50192447
PNG
(CHEMBL3975989 | US10239870, Example 53)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC[C@@]3(C[C@@H]3c3ccccc3C(F)(F)F)C2)n1C
Show InChI InChI=1/C23H26F3N5OS/c1-15-19(32-14-27-15)20-28-29-21(30(20)2)33-11-5-9-31-10-8-22(13-31)12-18(22)16-6-3-4-7-17(16)23(24,25)26/h3-4,6-7,14,18H,5,8-13H2,1-2H3/t18-,22-/s2
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Assay Description
[125I]-7OH-PIPAT Binding Assay at rat native D3 receptor on membranes from rat ventral striatum. Homogenates from frozen rat brain ventral striatum (...


US Patent US10239870 (2019)

More data for this
Ligand-Target Pair
Dopamine receptor D2 and D3


(Rattus norvegicus (Rat))
BDBM371999
PNG
(US10239870, Example 257)
Show SMILES Cn1c(SCCCN2CC[C@]3(CC3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccsc1
Show InChI InChI=1/C23H25F3N4S2/c1-29-20(17-7-12-31-14-17)27-28-21(29)32-11-2-9-30-10-8-22(15-30)13-19(22)16-3-5-18(6-4-16)23(24,25)26/h3-7,12,14,19H,2,8-11,13,15H2,1H3/t19?,22-/s2
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Assay Description
[125I]-7OH-PIPAT Binding Assay at rat native D3 receptor on membranes from rat ventral striatum. Homogenates from frozen rat brain ventral striatum (...


US Patent US10239870 (2019)

More data for this
Ligand-Target Pair
Dopamine receptor D2 and D3


(Rattus norvegicus (Rat))
BDBM50192326
PNG
(CHEMBL3955608 | US10239870, Example 220)
Show SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1cnccn1
Show InChI InChI=1/C23H25F3N6S/c1-31-20(19-14-27-8-9-28-19)29-30-21(31)33-12-2-10-32-11-7-22(15-32)13-18(22)16-3-5-17(6-4-16)23(24,25)26/h3-6,8-9,14,18H,2,7,10-13,15H2,1H3/t18-,22+/s2
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Assay Description
[125I]-7OH-PIPAT Binding Assay at rat native D3 receptor on membranes from rat ventral striatum. Homogenates from frozen rat brain ventral striatum (...


US Patent US10239870 (2019)

More data for this
Ligand-Target Pair
Dopamine receptor D2 and D3


(Rattus norvegicus (Rat))
BDBM371998
PNG
(US10239870, Example 256)
Show SMILES Cn1c(SCCCN2CC[C@]3(CC3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1cccs1
Show InChI InChI=1/C23H25F3N4S2/c1-29-20(19-4-2-12-31-19)27-28-21(29)32-13-3-10-30-11-9-22(15-30)14-18(22)16-5-7-17(8-6-16)23(24,25)26/h2,4-8,12,18H,3,9-11,13-15H2,1H3/t18?,22-/s2
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Assay Description
[125I]-7OH-PIPAT Binding Assay at rat native D3 receptor on membranes from rat ventral striatum. Homogenates from frozen rat brain ventral striatum (...


US Patent US10239870 (2019)

More data for this
Ligand-Target Pair
Dopamine receptor D2 and D3


(Rattus norvegicus (Rat))
BDBM50192454
PNG
(CHEMBL3911264 | US10239870, Example 12)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC[C@@]3(C[C@H]3c3ccc(cc3)C(F)(F)F)C2)n1C
Show InChI InChI=1/C23H26F3N5OS/c1-15-19(32-14-27-15)20-28-29-21(30(20)2)33-11-3-9-31-10-8-22(13-31)12-18(22)16-4-6-17(7-5-16)23(24,25)26/h4-7,14,18H,3,8-13H2,1-2H3/t18-,22+/s2
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Assay Description
[125I]-7OH-PIPAT Binding Assay at rat native D3 receptor on membranes from rat ventral striatum. Homogenates from frozen rat brain ventral striatum (...


US Patent US10239870 (2019)

More data for this
Ligand-Target Pair
Dopamine receptor D2 and D3


(Rattus norvegicus (Rat))
BDBM50192230
PNG
(CHEMBL3908174 | US10239870, Example 253)
Show SMILES Cn1nccc1-c1nnc(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)n1C
Show InChI InChI=1/C23H27F3N6S/c1-30-20(19-8-10-27-31(19)2)28-29-21(30)33-13-3-11-32-12-9-22(15-32)14-18(22)16-4-6-17(7-5-16)23(24,25)26/h4-8,10,18H,3,9,11-15H2,1-2H3/t18-,22+/s2
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Assay Description
[125I]-7OH-PIPAT Binding Assay at rat native D3 receptor on membranes from rat ventral striatum. Homogenates from frozen rat brain ventral striatum (...


US Patent US10239870 (2019)

More data for this
Ligand-Target Pair
Dopamine receptor D2 and D3


(Rattus norvegicus (Rat))
BDBM371954
PNG
(US10239870, Example 191)
Show SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccnc(c1)C(N)=O
Show InChI InChI=1/C25H27F3N6OS/c1-33-22(17-7-9-30-20(13-17)21(29)35)31-32-23(33)36-12-2-10-34-11-8-24(15-34)14-19(24)16-3-5-18(6-4-16)25(26,27)28/h3-7,9,13,19H,2,8,10-12,14-15H2,1H3,(H2,29,35)/t19-,24+/s2
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Assay Description
[125I]-7OH-PIPAT Binding Assay at rat native D3 receptor on membranes from rat ventral striatum. Homogenates from frozen rat brain ventral striatum (...


US Patent US10239870 (2019)

More data for this
Ligand-Target Pair
Dopamine receptor D2 and D3


(Rattus norvegicus (Rat))
BDBM371943
PNG
(US10239870, Example 179 | US10239870, Example 182)
Show SMILES Cn1c(SCCCN2CC[C@]3(CC3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccc(nc1)C(N)=O
Show InChI InChI=1/C25H27F3N6OS/c1-33-22(17-5-8-20(21(29)35)30-14-17)31-32-23(33)36-12-2-10-34-11-9-24(15-34)13-19(24)16-3-6-18(7-4-16)25(26,27)28/h3-8,14,19H,2,9-13,15H2,1H3,(H2,29,35)/t19?,24-/s2
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Assay Description
[125I]-7OH-PIPAT Binding Assay at rat native D3 receptor on membranes from rat ventral striatum. Homogenates from frozen rat brain ventral striatum (...


US Patent US10239870 (2019)

More data for this
Ligand-Target Pair
Dopamine receptor D2 and D3


(Rattus norvegicus (Rat))
BDBM372004
PNG
(US10239870, Example 262)
Show SMILES Cc1nnsc1-c1nnc(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)n1C
Show InChI InChI=1/C22H25F3N6S2/c1-14-18(33-29-26-14)19-27-28-20(30(19)2)32-11-3-9-31-10-8-21(13-31)12-17(21)15-4-6-16(7-5-15)22(23,24)25/h4-7,17H,3,8-13H2,1-2H3/t17-,21+/s2
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Assay Description
[125I]-7OH-PIPAT Binding Assay at rat native D3 receptor on membranes from rat ventral striatum. Homogenates from frozen rat brain ventral striatum (...


US Patent US10239870 (2019)

More data for this
Ligand-Target Pair
Dopamine receptor D2 and D3


(Rattus norvegicus (Rat))
BDBM371877
PNG
(US10239870, Example 92)
Show SMILES Cn1c(SCCCN2CC[C@@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1C1CCCCC1
Show InChI InChI=1/C25H33F3N4S/c1-31-22(19-6-3-2-4-7-19)29-30-23(31)33-15-5-13-32-14-12-24(17-32)16-21(24)18-8-10-20(11-9-18)25(26,27)28/h8-11,19,21H,2-7,12-17H2,1H3/t21-,24-/s2
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Assay Description
[125I]-7OH-PIPAT Binding Assay at rat native D3 receptor on membranes from rat ventral striatum. Homogenates from frozen rat brain ventral striatum (...


US Patent US10239870 (2019)

More data for this
Ligand-Target Pair
Dopamine receptor D2 and D3


(Rattus norvegicus (Rat))
BDBM372013
PNG
(US10239870, Example 273)
Show SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccc(cc1)-c1nnn[nH]1
Show InChI InChI=1/C26H27F3N8S/c1-36-23(19-5-3-18(4-6-19)22-30-34-35-31-22)32-33-24(36)38-14-2-12-37-13-11-25(16-37)15-21(25)17-7-9-20(10-8-17)26(27,28)29/h3-10,21H,2,11-16H2,1H3,(H,30,31,34,35)/t21-,25+/s2
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Assay Description
[125I]-7OH-PIPAT Binding Assay at rat native D3 receptor on membranes from rat ventral striatum. Homogenates from frozen rat brain ventral striatum (...


US Patent US10239870 (2019)

More data for this
Ligand-Target Pair
Dopamine receptor D2 and D3


(Rattus norvegicus (Rat))
BDBM371914
PNG
(US10239870, Example 140 | US10239870, Example 141)
Show SMILES Cn1c(SCCCN2CC[C@]3(CC3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccccn1
Show InChI InChI=1/C24H26F3N5S/c1-31-21(20-5-2-3-11-28-20)29-30-22(31)33-14-4-12-32-13-10-23(16-32)15-19(23)17-6-8-18(9-7-17)24(25,26)27/h2-3,5-9,11,19H,4,10,12-16H2,1H3/t19?,23-/s2
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Assay Description
[125I]-7OH-PIPAT Binding Assay at rat native D3 receptor on membranes from rat ventral striatum. Homogenates from frozen rat brain ventral striatum (...


US Patent US10239870 (2019)

More data for this
Ligand-Target Pair
Dopamine receptor D2 and D3


(Rattus norvegicus (Rat))
BDBM50192029
PNG
(CHEMBL3917887 | US10239870, Example 39)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC[C@]3(C[C@@H]3c3ccc(F)cc3F)C2)n1C
Show InChI InChI=1/C22H25F2N5OS/c1-14-19(30-13-25-14)20-26-27-21(28(20)2)31-9-3-7-29-8-6-22(12-29)11-17(22)16-5-4-15(23)10-18(16)24/h4-5,10,13,17H,3,6-9,11-12H2,1-2H3/t17-,22+/s2
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Assay Description
[125I]-7OH-PIPAT Binding Assay at rat native D3 receptor on membranes from rat ventral striatum. Homogenates from frozen rat brain ventral striatum (...


US Patent US10239870 (2019)

More data for this
Ligand-Target Pair
Dopamine receptor D2 and D3


(Rattus norvegicus (Rat))
BDBM371975
PNG
(US10239870, Example 221)
Show SMILES Cn1c(SCCCN2CC[C@]3(CC3c3ccc(cc3F)C(F)(F)F)C2)nnc1-c1cnccn1
Show InChI InChI=1/C23H24F4N6S/c1-32-20(19-13-28-6-7-29-19)30-31-21(32)34-10-2-8-33-9-5-22(14-33)12-17(22)16-4-3-15(11-18(16)24)23(25,26)27/h3-4,6-7,11,13,17H,2,5,8-10,12,14H2,1H3/t17?,22-/s2
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Assay Description
[125I]-7OH-PIPAT Binding Assay at rat native D3 receptor on membranes from rat ventral striatum. Homogenates from frozen rat brain ventral striatum (...


US Patent US10239870 (2019)

More data for this
Ligand-Target Pair
Dopamine receptor D2 and D3


(Rattus norvegicus (Rat))
BDBM371876
PNG
(US10239870, Example 89 | US10239870, Example 94)
Show SMILES Cn1c(SCCCN2CC[C@]3(CC3c3ccc(cc3)C(F)(F)F)C2)nnc1C1CCCCC1
Show InChI InChI=1/C25H33F3N4S/c1-31-22(19-6-3-2-4-7-19)29-30-23(31)33-15-5-13-32-14-12-24(17-32)16-21(24)18-8-10-20(11-9-18)25(26,27)28/h8-11,19,21H,2-7,12-17H2,1H3/t21?,24-/s2
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Assay Description
[125I]-7OH-PIPAT Binding Assay at rat native D3 receptor on membranes from rat ventral striatum. Homogenates from frozen rat brain ventral striatum (...


US Patent US10239870 (2019)

More data for this
Ligand-Target Pair
Dopamine receptor D2 and D3


(Rattus norvegicus (Rat))
BDBM371978
PNG
(US10239870, Example 224 | US10239870, Example 227)
Show SMILES Cc1nccnc1-c1nnc(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)n1C
Show InChI InChI=1/C24H27F3N6S/c1-16-20(29-10-9-28-16)21-30-31-22(32(21)2)34-13-3-11-33-12-8-23(15-33)14-19(23)17-4-6-18(7-5-17)24(25,26)27/h4-7,9-10,19H,3,8,11-15H2,1-2H3/t19-,23+/s2
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Assay Description
[125I]-7OH-PIPAT Binding Assay at rat native D3 receptor on membranes from rat ventral striatum. Homogenates from frozen rat brain ventral striatum (...


US Patent US10239870 (2019)

More data for this
Ligand-Target Pair
Dopamine receptor D2 and D3


(Rattus norvegicus (Rat))
BDBM371894
PNG
(US10239870, Example 118)
Show SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1N1CCOCC1
Show InChI InChI=1/C23H30F3N5OS/c1-29-20(31-10-12-32-13-11-31)27-28-21(29)33-14-2-8-30-9-7-22(16-30)15-19(22)17-3-5-18(6-4-17)23(24,25)26/h3-6,19H,2,7-16H2,1H3/t19-,22+/s2
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Assay Description
[125I]-7OH-PIPAT Binding Assay at rat native D3 receptor on membranes from rat ventral striatum. Homogenates from frozen rat brain ventral striatum (...


US Patent US10239870 (2019)

More data for this
Ligand-Target Pair
Dopamine receptor D2 and D3


(Rattus norvegicus (Rat))
BDBM50192315
PNG
(CHEMBL3981856 | US10239870, Example 287)
Show SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccc(CC(N)=O)cc1
Show InChI InChI=1/C27H30F3N5OS/c1-34-24(20-5-3-18(4-6-20)15-23(31)36)32-33-25(34)37-14-2-12-35-13-11-26(17-35)16-22(26)19-7-9-21(10-8-19)27(28,29)30/h3-10,22H,2,11-17H2,1H3,(H2,31,36)/t22-,26+/s2
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Assay Description
[125I]-7OH-PIPAT Binding Assay at rat native D3 receptor on membranes from rat ventral striatum. Homogenates from frozen rat brain ventral striatum (...


US Patent US10239870 (2019)

More data for this
Ligand-Target Pair
Dopamine receptor D2 and D3


(Rattus norvegicus (Rat))
BDBM371878
PNG
(US10239870, Example 93)
Show SMILES Cn1c(SCCCN2CC[C@]3(C[C@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1C1CCCCC1
Show InChI InChI=1/C25H33F3N4S/c1-31-22(19-6-3-2-4-7-19)29-30-23(31)33-15-5-13-32-14-12-24(17-32)16-21(24)18-8-10-20(11-9-18)25(26,27)28/h8-11,19,21H,2-7,12-17H2,1H3/t21-,24-/s2
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Assay Description
[125I]-7OH-PIPAT Binding Assay at rat native D3 receptor on membranes from rat ventral striatum. Homogenates from frozen rat brain ventral striatum (...


US Patent US10239870 (2019)

More data for this
Ligand-Target Pair
Dopamine receptor D2 and D3


(Rattus norvegicus (Rat))
BDBM50192239
PNG
(CHEMBL3922143 | US10239870, Example 48)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC[C@]3(C[C@@H]3c3ccc(F)cc3)C2)n1C
Show InChI InChI=1/C22H26FN5OS/c1-15-19(29-14-24-15)20-25-26-21(27(20)2)30-11-3-9-28-10-8-22(13-28)12-18(22)16-4-6-17(23)7-5-16/h4-7,14,18H,3,8-13H2,1-2H3/t18-,22+/s2
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Assay Description
[125I]-7OH-PIPAT Binding Assay at rat native D3 receptor on membranes from rat ventral striatum. Homogenates from frozen rat brain ventral striatum (...


US Patent US10239870 (2019)

More data for this
Ligand-Target Pair
Dopamine receptor D2 and D3


(Rattus norvegicus (Rat))
BDBM371870
PNG
(US10239870, Example 79)
Show SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3F)C(F)(F)F)C2)nnc1C1CCOCC1
Show InChI InChI=1/C24H30F4N4OS/c1-31-21(16-5-10-33-11-6-16)29-30-22(31)34-12-2-8-32-9-7-23(15-32)14-19(23)18-4-3-17(13-20(18)25)24(26,27)28/h3-4,13,16,19H,2,5-12,14-15H2,1H3/t19-,23+/s2
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Assay Description
[125I]-7OH-PIPAT Binding Assay at rat native D3 receptor on membranes from rat ventral striatum. Homogenates from frozen rat brain ventral striatum (...


US Patent US10239870 (2019)

More data for this
Ligand-Target Pair
Dopamine receptor D2 and D3


(Rattus norvegicus (Rat))
BDBM371928
PNG
(US10239870, Example 162 | US10239870, Example 163)
Show SMILES Cn1c(SCCCN2CC[C@]3(CC3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccncc1
Show InChI InChI=1/C24H26F3N5S/c1-31-21(18-7-10-28-11-8-18)29-30-22(31)33-14-2-12-32-13-9-23(16-32)15-20(23)17-3-5-19(6-4-17)24(25,26)27/h3-8,10-11,20H,2,9,12-16H2,1H3/t20?,23-/s2
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Assay Description
[125I]-7OH-PIPAT Binding Assay at rat native D3 receptor on membranes from rat ventral striatum. Homogenates from frozen rat brain ventral striatum (...


US Patent US10239870 (2019)

More data for this
Ligand-Target Pair
Dopamine receptor D2 and D3


(Rattus norvegicus (Rat))
BDBM50192099
PNG
(CHEMBL3914556 | US10239870, Example 244)
Show SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1nccs1
Show InChI InChI=1/C22H24F3N5S2/c1-29-18(19-26-8-12-31-19)27-28-20(29)32-11-2-9-30-10-7-21(14-30)13-17(21)15-3-5-16(6-4-15)22(23,24)25/h3-6,8,12,17H,2,7,9-11,13-14H2,1H3/t17-,21+/s2
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Assay Description
[125I]-7OH-PIPAT Binding Assay at rat native D3 receptor on membranes from rat ventral striatum. Homogenates from frozen rat brain ventral striatum (...


US Patent US10239870 (2019)

More data for this
Ligand-Target Pair
Dopamine receptor D2 and D3


(Rattus norvegicus (Rat))
BDBM371858
PNG
(US10239870, Example 59 | US10239870, Example 60)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC[C@]3(CC3c3cc(Cl)cc(Cl)c3)C2)n1C
Show InChI InChI=1/C22H25Cl2N5OS/c1-14-19(30-13-25-14)20-26-27-21(28(20)2)31-7-3-5-29-6-4-22(12-29)11-18(22)15-8-16(23)10-17(24)9-15/h8-10,13,18H,3-7,11-12H2,1-2H3/t18?,22-/s2
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Assay Description
[125I]-7OH-PIPAT Binding Assay at rat native D3 receptor on membranes from rat ventral striatum. Homogenates from frozen rat brain ventral striatum (...


US Patent US10239870 (2019)

More data for this
Ligand-Target Pair
Dopamine receptor D2 and D3


(Rattus norvegicus (Rat))
BDBM371965
PNG
(US10239870, Example 207 | US10239870, Example 212)
Show SMILES Cn1c(SCCCN2CC[C@]3(CC3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccncn1
Show InChI InChI=1/C23H25F3N6S/c1-31-20(19-7-9-27-15-28-19)29-30-21(31)33-12-2-10-32-11-8-22(14-32)13-18(22)16-3-5-17(6-4-16)23(24,25)26/h3-7,9,15,18H,2,8,10-14H2,1H3/t18?,22-/s2
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Assay Description
[125I]-7OH-PIPAT Binding Assay at rat native D3 receptor on membranes from rat ventral striatum. Homogenates from frozen rat brain ventral striatum (...


US Patent US10239870 (2019)

More data for this
Ligand-Target Pair
Dopamine receptor D2 and D3


(Rattus norvegicus (Rat))
BDBM371834
PNG
(US10239870, Example 21 | US10239870, Example 26)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC[C@]3(CC3c3ccc(cc3F)C(F)(F)F)C2)n1C
Show InChI InChI=1/C23H25F4N5OS/c1-14-19(33-13-28-14)20-29-30-21(31(20)2)34-9-3-7-32-8-6-22(12-32)11-17(22)16-5-4-15(10-18(16)24)23(25,26)27/h4-5,10,13,17H,3,6-9,11-12H2,1-2H3/t17?,22-/s2
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Assay Description
[125I]-7OH-PIPAT Binding Assay at rat native D3 receptor on membranes from rat ventral striatum. Homogenates from frozen rat brain ventral striatum (...


US Patent US10239870 (2019)

More data for this
Ligand-Target Pair
Dopamine receptor D2 and D3


(Rattus norvegicus (Rat))
BDBM50192316
PNG
(CHEMBL3985877 | US10239870, Example 57)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC[C@]3(C[C@H]3c3ccc(F)cc3C(F)(F)F)C2)n1C
Show InChI InChI=1/C23H25F4N5OS/c1-14-19(33-13-28-14)20-29-30-21(31(20)2)34-9-3-7-32-8-6-22(12-32)11-18(22)16-5-4-15(24)10-17(16)23(25,26)27/h4-5,10,13,18H,3,6-9,11-12H2,1-2H3/t18-,22-/s2
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Assay Description
[125I]-7OH-PIPAT Binding Assay at rat native D3 receptor on membranes from rat ventral striatum. Homogenates from frozen rat brain ventral striatum (...


US Patent US10239870 (2019)

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