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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=1S/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+/m1/s1
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0.0630n/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)


BindingDB Entry DOI: 10.7270/Q2HT2RNX
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=1S/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+/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2HT2RNX
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=1S/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+/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2HT2RNX
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=1S/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+/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2HT2RNX
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=1S/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+/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2HT2RNX
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=1S/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-/m0/s1
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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)


BindingDB Entry DOI: 10.7270/Q2HT2RNX
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
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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)


BindingDB Entry DOI: 10.7270/Q2HT2RNX
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=1S/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+/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2HT2RNX
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=1S/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+/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2HT2RNX
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=1S/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+/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2HT2RNX
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=1S/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+/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2HT2RNX
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=1S/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+/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2HT2RNX
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=1S/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+/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2HT2RNX
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=1S/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+/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2HT2RNX
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=1S/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+/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2HT2RNX
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=1S/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+/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2HT2RNX
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=1S/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-/m0/s1
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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)


BindingDB Entry DOI: 10.7270/Q2HT2RNX
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=1S/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+/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2HT2RNX
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=1S/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+/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2HT2RNX
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=1S/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-/m0/s1
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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)


BindingDB Entry DOI: 10.7270/Q2HT2RNX
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=1S/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+/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2HT2RNX
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=1S/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+/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2HT2RNX
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=1S/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+/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2HT2RNX
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=1S/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-/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2HT2RNX
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=1S/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-/m0/s1
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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)


BindingDB Entry DOI: 10.7270/Q2HT2RNX
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=1S/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+/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2HT2RNX
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=1S/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-/m0/s1
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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)


BindingDB Entry DOI: 10.7270/Q2HT2RNX
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=1S/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+/m0/s1
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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)


BindingDB Entry DOI: 10.7270/Q2HT2RNX
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=1S/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+/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2HT2RNX
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=1S/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+/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2HT2RNX
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=1S/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-/m0/s1
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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)


BindingDB Entry DOI: 10.7270/Q2HT2RNX
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=1S/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+/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2HT2RNX
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=1S/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-/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2HT2RNX
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
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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)


BindingDB Entry DOI: 10.7270/Q2HT2RNX
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=1S/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-/m0/s1
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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)


BindingDB Entry DOI: 10.7270/Q2HT2RNX
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=1S/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+/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2HT2RNX
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=1S/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-/m0/s1
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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)


BindingDB Entry DOI: 10.7270/Q2HT2RNX
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=1S/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-/m0/s1
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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)


BindingDB Entry DOI: 10.7270/Q2HT2RNX
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=1S/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+/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2HT2RNX
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=1S/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+/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2HT2RNX
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=1S/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+/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2HT2RNX
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=1S/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-/m0/s1
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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)


BindingDB Entry DOI: 10.7270/Q2HT2RNX
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=1S/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+/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2HT2RNX
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=1S/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+/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2HT2RNX
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=1S/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-/m0/s1
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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)


BindingDB Entry DOI: 10.7270/Q2HT2RNX
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=1S/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+/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2HT2RNX
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=1S/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-/m0/s1
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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)


BindingDB Entry DOI: 10.7270/Q2HT2RNX
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=1S/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-/m0/s1
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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)


BindingDB Entry DOI: 10.7270/Q2HT2RNX
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=1S/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-/m0/s1
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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)


BindingDB Entry DOI: 10.7270/Q2HT2RNX
More data for this
Ligand-Target Pair
Dopamine receptor D2 and D3


(Rattus norvegicus (Rat))
BDBM371969
PNG
(US10239870, Example 213)
Show SMILES Cn1c(SCCCN2CC[C@]3(CC3c3ccc(cc3F)C(F)(F)F)C2)nnc1-c1ccncn1
Show InChI InChI=1S/C23H24F4N6S/c1-32-20(19-5-7-28-14-29-19)30-31-21(32)34-10-2-8-33-9-6-22(13-33)12-17(22)16-4-3-15(11-18(16)24)23(25,26)27/h3-5,7,11,14,17H,2,6,8-10,12-13H2,1H3/t17?,22-/m0/s1
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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)


BindingDB Entry DOI: 10.7270/Q2HT2RNX
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%