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Patent code US10874669

Compile Data Set for Download or QSAR
Found 32 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM476248
PNG
(US10874669, Compound 23 (D-548))
Show SMILES COc1cc(CCCCCNCCC[C@H]2CCc3nc(N)sc3C2)ccc1O
Show InChI InChI=1S/C22H33N3O2S/c1-27-20-14-16(9-11-19(20)26)6-3-2-4-12-24-13-5-7-17-8-10-18-21(15-17)28-22(23)25-18/h9,11,14,17,24,26H,2-8,10,12-13,15H2,1H3,(H2,23,25)/t17-/m0/s1
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0n/an/an/an/an/an/an/an/a



WAYNE STATE UNIVERSITY

US Patent


Assay Description
A well established radioligand competition assay was carried out to evaluate binding affinity of the test compounds and were compared with that of th...


US Patent US10874669 (2020)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM476253
PNG
( (Z)-ethyl 5-(4-((tert-butyldimethylsilyl)oxy)-3-m...)
Show SMILES CCOC(=O)CCC(=C)Cc1ccc(O[Si](C)(C)C(C)(C)C)c(OC)c1
Show InChI InChI=1S/C21H34O4Si/c1-9-24-20(22)13-10-16(2)14-17-11-12-18(19(15-17)23-6)25-26(7,8)21(3,4)5/h11-12,15H,2,9-10,13-14H2,1,3-8H3
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0.780n/an/an/an/an/an/an/an/a



WAYNE STATE UNIVERSITY

US Patent


Assay Description
A well established radioligand competition assay was carried out to evaluate binding affinity of the test compounds and were compared with that of th...


US Patent US10874669 (2020)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM476252
PNG
(2-(5-((2-Amino-4,5,6,7-tetrahydrobenzo[d]thiazol-6...)
Show SMILES Nc1nc2CCC(CCCNCCCCCc3cc(O)ccc3O)Cc2s1
Show InChI InChI=1S/C21H31N3O2S/c22-21-24-18-9-7-15(13-20(18)27-21)5-4-12-23-11-3-1-2-6-16-14-17(25)8-10-19(16)26/h8,10,14-15,23,25-26H,1-7,9,11-13H2,(H2,22,24)
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1.01n/an/an/an/an/an/an/an/a



WAYNE STATE UNIVERSITY

US Patent


Assay Description
A well established radioligand competition assay was carried out to evaluate binding affinity of the test compounds and were compared with that of th...


US Patent US10874669 (2020)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM476251
PNG
((R)-4-(5-((2-Amino-4,5,6,7-tetrahydrobenzo[d]thiaz...)
Show SMILES Nc1nc2CC[C@@H](CCCNCCCCCc3ccc(O)c(O)c3)Cc2s1
Show InChI InChI=1S/C21H31N3O2S/c22-21-24-17-9-7-16(14-20(17)27-21)6-4-12-23-11-3-1-2-5-15-8-10-18(25)19(26)13-15/h8,10,13,16,23,25-26H,1-7,9,11-12,14H2,(H2,22,24)/t16-/m1/s1
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1.42n/an/an/an/an/an/an/an/a



WAYNE STATE UNIVERSITY

US Patent


Assay Description
A well established radioligand competition assay was carried out to evaluate binding affinity of the test compounds and were compared with that of th...


US Patent US10874669 (2020)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM476249
PNG
(4-(5-((2-Amino-4,5,6,7-tetrahydrobenzo[d]thiazol-6...)
Show SMILES COc1cc(CCCCCNCCC[C@@H]2CCc3nc(N)sc3C2)ccc1O
Show InChI InChI=1S/C22H33N3O2S/c1-27-20-14-16(9-11-19(20)26)6-3-2-4-12-24-13-5-7-17-8-10-18-21(15-17)28-22(23)25-18/h9,11,14,17,24,26H,2-8,10,12-13,15H2,1H3,(H2,23,25)/t17-/m1/s1
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1.57n/an/an/an/an/an/an/an/a



WAYNE STATE UNIVERSITY

US Patent


Assay Description
A well established radioligand competition assay was carried out to evaluate binding affinity of the test compounds and were compared with that of th...


US Patent US10874669 (2020)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50392121
PNG
(CHEMBL2152632 | US10874669, Compound (+-)-10)
Show SMILES CCCN(CCN1CCN(CC1)c1ccc2[nH]ccc2c1)C1CCc2nc(N)sc2C1
Show InChI InChI=1S/C24H34N6S/c1-2-9-29(20-4-6-22-23(17-20)31-24(25)27-22)13-10-28-11-14-30(15-12-28)19-3-5-21-18(16-19)7-8-26-21/h3,5,7-8,16,20,26H,2,4,6,9-15,17H2,1H3,(H2,25,27)
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1.92n/an/an/an/an/an/an/an/a



WAYNE STATE UNIVERSITY

US Patent


Assay Description
A well established radioligand competition assay was carried out to evaluate binding affinity of the test compounds and were compared with that of th...


US Patent US10874669 (2020)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50392123
PNG
(CHEMBL2152634 | US10874669, Compound (-)-10)
Show SMILES CCCN(CCN1CCN(CC1)c1ccc2[nH]ccc2c1)[C@@H]1CCc2nc(N)sc2C1
Show InChI InChI=1S/C24H34N6S/c1-2-9-29(20-4-6-22-23(17-20)31-24(25)27-22)13-10-28-11-14-30(15-12-28)19-3-5-21-18(16-19)7-8-26-21/h3,5,7-8,16,20,26H,2,4,6,9-15,17H2,1H3,(H2,25,27)/t20-/m1/s1
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2.19n/an/an/an/an/an/an/an/a



WAYNE STATE UNIVERSITY

US Patent


Assay Description
A well established radioligand competition assay was carried out to evaluate binding affinity of the test compounds and were compared with that of th...


US Patent US10874669 (2020)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM476250
PNG
(US10874669, Compound 34 (D-575))
Show SMILES Nc1nc2CC[C@H](CCCNCCCCCc3ccc(O)c(O)c3)Cc2s1
Show InChI InChI=1S/C21H31N3O2S/c22-21-24-17-9-7-16(14-20(17)27-21)6-4-12-23-11-3-1-2-5-15-8-10-18(25)19(26)13-15/h8,10,13,16,23,25-26H,1-7,9,11-12,14H2,(H2,22,24)/t16-/m0/s1
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2.59n/an/an/an/an/an/an/an/a



WAYNE STATE UNIVERSITY

US Patent


Assay Description
A well established radioligand competition assay was carried out to evaluate binding affinity of the test compounds and were compared with that of th...


US Patent US10874669 (2020)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM476245
PNG
(6-((2-(4-(4-chloro-1H-indol-5-yl)piperazin-1-yl)et...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccc2[nH]ccc2c1Cl)C1CCc2c(O)cccc2C1
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10.4n/an/an/an/an/an/an/an/a



WAYNE STATE UNIVERSITY

US Patent


Assay Description
A well established radioligand competition assay was carried out to evaluate binding affinity of the test compounds and were compared with that of th...


US Patent US10874669 (2020)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM476256
PNG
(4-(3-((2-Amino-4,5,6,7-tetrahydrobenzo[d]thiazol-6...)
Show SMILES Nc1nc2CCC(CCCNCCCc3ccc(O)c(O)c3)Cc2s1
Show InChI InChI=1S/C19H27N3O2S/c20-19-22-15-7-5-14(12-18(15)25-19)4-2-10-21-9-1-3-13-6-8-16(23)17(24)11-13/h6,8,11,14,21,23-24H,1-5,7,9-10,12H2,(H2,20,22)
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11.9n/an/an/an/an/an/an/an/a



WAYNE STATE UNIVERSITY

US Patent


Assay Description
A well established radioligand competition assay was carried out to evaluate binding affinity of the test compounds and were compared with that of th...


US Patent US10874669 (2020)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM476260
PNG
((S)-5-(4-(4-(2-((2-amino-4,5,6,7-tetrahydrobenzo[d...)
Show SMILES Nc1nc2CCC(CCCNCCN3CCN(CC3)c3ccc(cc3)-c3ccc4NC(=O)C(=O)c4c3)Cc2s1
Show InChI InChI=1S/C30H36N6O2S/c31-30-34-26-9-3-20(18-27(26)39-30)2-1-11-32-12-13-35-14-16-36(17-15-35)23-7-4-21(5-8-23)22-6-10-25-24(19-22)28(37)29(38)33-25/h4-8,10,19-20,32H,1-3,9,11-18H2,(H2,31,34)(H,33,37,38)
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14.2n/an/an/an/an/an/an/an/a



WAYNE STATE UNIVERSITY

US Patent


Assay Description
A well established radioligand competition assay was carried out to evaluate binding affinity of the test compounds and were compared with that of th...


US Patent US10874669 (2020)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM476247
PNG
(4-(3-((2-Amino-4,5,6,7-tetrahydrobenzo[d]thiazol-6...)
Show SMILES COc1cc(CCCNCCCC2CCc3nc(N)sc3C2)ccc1O
Show InChI InChI=1S/C20H29N3O2S/c1-25-18-12-14(7-9-17(18)24)4-2-10-22-11-3-5-15-6-8-16-19(13-15)26-20(21)23-16/h7,9,12,15,22,24H,2-6,8,10-11,13H2,1H3,(H2,21,23)
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15.8n/an/an/an/an/an/an/an/a



WAYNE STATE UNIVERSITY

US Patent


Assay Description
A well established radioligand competition assay was carried out to evaluate binding affinity of the test compounds and were compared with that of th...


US Patent US10874669 (2020)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50392122
PNG
(CHEMBL2152633 | US10874669, Compound (+)-10)
Show SMILES CCCN(CCN1CCN(CC1)c1ccc2[nH]ccc2c1)[C@H]1CCc2nc(N)sc2C1
Show InChI InChI=1S/C24H34N6S/c1-2-9-29(20-4-6-22-23(17-20)31-24(25)27-22)13-10-28-11-14-30(15-12-28)19-3-5-21-18(16-19)7-8-26-21/h3,5,7-8,16,20,26H,2,4,6,9-15,17H2,1H3,(H2,25,27)/t20-/m0/s1
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15.9n/an/an/an/an/an/an/an/a



WAYNE STATE UNIVERSITY

US Patent


Assay Description
A well established radioligand competition assay was carried out to evaluate binding affinity of the test compounds and were compared with that of th...


US Patent US10874669 (2020)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM476254
PNG
((Z)-4-(5-((2-amino-4,5,6,7-tetrahydrobenzo[d]thiaz...)
Show SMILES COc1cc(\C=C\CCCNCCCC2CCc3nc(N)sc3C2)ccc1O
Show InChI InChI=1S/C22H31N3O2S/c1-27-20-14-16(9-11-19(20)26)6-3-2-4-12-24-13-5-7-17-8-10-18-21(15-17)28-22(23)25-18/h3,6,9,11,14,17,24,26H,2,4-5,7-8,10,12-13,15H2,1H3,(H2,23,25)/b6-3+
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23.3n/an/an/an/an/an/an/an/a



WAYNE STATE UNIVERSITY

US Patent


Assay Description
A well established radioligand competition assay was carried out to evaluate binding affinity of the test compounds and were compared with that of th...


US Patent US10874669 (2020)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM476255
PNG
((Z)-4-(5-((2-amino-4,5,6,7-tetrahydrobenzo[d]thiaz...)
Show SMILES Nc1nc2CCC(CCCNCCC\C=C\c3ccc(O)c(O)c3)Cc2s1
Show InChI InChI=1S/C21H29N3O2S/c22-21-24-17-9-7-16(14-20(17)27-21)6-4-12-23-11-3-1-2-5-15-8-10-18(25)19(26)13-15/h2,5,8,10,13,16,23,25-26H,1,3-4,6-7,9,11-12,14H2,(H2,22,24)/b5-2+
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25n/an/an/an/an/an/an/an/a



WAYNE STATE UNIVERSITY

US Patent


Assay Description
A well established radioligand competition assay was carried out to evaluate binding affinity of the test compounds and were compared with that of th...


US Patent US10874669 (2020)

More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50392123
PNG
(CHEMBL2152634 | US10874669, Compound (-)-10)
Show SMILES CCCN(CCN1CCN(CC1)c1ccc2[nH]ccc2c1)[C@@H]1CCc2nc(N)sc2C1
Show InChI InChI=1S/C24H34N6S/c1-2-9-29(20-4-6-22-23(17-20)31-24(25)27-22)13-10-28-11-14-30(15-12-28)19-3-5-21-18(16-19)7-8-26-21/h3,5,7-8,16,20,26H,2,4,6,9-15,17H2,1H3,(H2,25,27)/t20-/m1/s1
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39n/an/an/an/an/an/an/an/a



WAYNE STATE UNIVERSITY

US Patent


Assay Description
A well established radioligand competition assay was carried out to evaluate binding affinity of the test compounds and were compared with that of th...


US Patent US10874669 (2020)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM476257
PNG
((E)-4-(3-((2-amino-4,5,6,7-tetrahydrobenzo[d]thiaz...)
Show SMILES COc1cc(\C=C\CNCCCC2CCc3nc(N)sc3C2)ccc1O
Show InChI InChI=1S/C20H27N3O2S/c1-25-18-12-14(7-9-17(18)24)4-2-10-22-11-3-5-15-6-8-16-19(13-15)26-20(21)23-16/h2,4,7,9,12,15,22,24H,3,5-6,8,10-11,13H2,1H3,(H2,21,23)/b4-2+
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39.1n/an/an/an/an/an/an/an/a



WAYNE STATE UNIVERSITY

US Patent


Assay Description
A well established radioligand competition assay was carried out to evaluate binding affinity of the test compounds and were compared with that of th...


US Patent US10874669 (2020)

More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50392121
PNG
(CHEMBL2152632 | US10874669, Compound (+-)-10)
Show SMILES CCCN(CCN1CCN(CC1)c1ccc2[nH]ccc2c1)C1CCc2nc(N)sc2C1
Show InChI InChI=1S/C24H34N6S/c1-2-9-29(20-4-6-22-23(17-20)31-24(25)27-22)13-10-28-11-14-30(15-12-28)19-3-5-21-18(16-19)7-8-26-21/h3,5,7-8,16,20,26H,2,4,6,9-15,17H2,1H3,(H2,25,27)
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46.7n/an/an/an/an/an/an/an/a



WAYNE STATE UNIVERSITY

US Patent


Assay Description
A well established radioligand competition assay was carried out to evaluate binding affinity of the test compounds and were compared with that of th...


US Patent US10874669 (2020)

More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM476251
PNG
((R)-4-(5-((2-Amino-4,5,6,7-tetrahydrobenzo[d]thiaz...)
Show SMILES Nc1nc2CC[C@@H](CCCNCCCCCc3ccc(O)c(O)c3)Cc2s1
Show InChI InChI=1S/C21H31N3O2S/c22-21-24-17-9-7-16(14-20(17)27-21)6-4-12-23-11-3-1-2-5-15-8-10-18(25)19(26)13-15/h8,10,13,16,23,25-26H,1-7,9,11-12,14H2,(H2,22,24)/t16-/m1/s1
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65.7n/an/an/an/an/an/an/an/a



WAYNE STATE UNIVERSITY

US Patent


Assay Description
A well established radioligand competition assay was carried out to evaluate binding affinity of the test compounds and were compared with that of th...


US Patent US10874669 (2020)

More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM476249
PNG
(4-(5-((2-Amino-4,5,6,7-tetrahydrobenzo[d]thiazol-6...)
Show SMILES COc1cc(CCCCCNCCC[C@@H]2CCc3nc(N)sc3C2)ccc1O
Show InChI InChI=1S/C22H33N3O2S/c1-27-20-14-16(9-11-19(20)26)6-3-2-4-12-24-13-5-7-17-8-10-18-21(15-17)28-22(23)25-18/h9,11,14,17,24,26H,2-8,10,12-13,15H2,1H3,(H2,23,25)/t17-/m1/s1
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68.3n/an/an/an/an/an/an/an/a



WAYNE STATE UNIVERSITY

US Patent


Assay Description
A well established radioligand competition assay was carried out to evaluate binding affinity of the test compounds and were compared with that of th...


US Patent US10874669 (2020)

More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM476245
PNG
(6-((2-(4-(4-chloro-1H-indol-5-yl)piperazin-1-yl)et...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccc2[nH]ccc2c1Cl)C1CCc2c(O)cccc2C1
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76.4n/an/an/an/an/an/an/an/a



WAYNE STATE UNIVERSITY

US Patent


Assay Description
A well established radioligand competition assay was carried out to evaluate binding affinity of the test compounds and were compared with that of th...


US Patent US10874669 (2020)

More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM476253
PNG
( (Z)-ethyl 5-(4-((tert-butyldimethylsilyl)oxy)-3-m...)
Show SMILES CCOC(=O)CCC(=C)Cc1ccc(O[Si](C)(C)C(C)(C)C)c(OC)c1
Show InChI InChI=1S/C21H34O4Si/c1-9-24-20(22)13-10-16(2)14-17-11-12-18(19(15-17)23-6)25-26(7,8)21(3,4)5/h11-12,15H,2,9-10,13-14H2,1,3-8H3
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112n/an/an/an/an/an/an/an/a



WAYNE STATE UNIVERSITY

US Patent


Assay Description
A well established radioligand competition assay was carried out to evaluate binding affinity of the test compounds and were compared with that of th...


US Patent US10874669 (2020)

More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM476250
PNG
(US10874669, Compound 34 (D-575))
Show SMILES Nc1nc2CC[C@H](CCCNCCCCCc3ccc(O)c(O)c3)Cc2s1
Show InChI InChI=1S/C21H31N3O2S/c22-21-24-17-9-7-16(14-20(17)27-21)6-4-12-23-11-3-1-2-5-15-8-10-18(25)19(26)13-15/h8,10,13,16,23,25-26H,1-7,9,11-12,14H2,(H2,22,24)/t16-/m0/s1
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116n/an/an/an/an/an/an/an/a



WAYNE STATE UNIVERSITY

US Patent


Assay Description
A well established radioligand competition assay was carried out to evaluate binding affinity of the test compounds and were compared with that of th...


US Patent US10874669 (2020)

More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM476252
PNG
(2-(5-((2-Amino-4,5,6,7-tetrahydrobenzo[d]thiazol-6...)
Show SMILES Nc1nc2CCC(CCCNCCCCCc3cc(O)ccc3O)Cc2s1
Show InChI InChI=1S/C21H31N3O2S/c22-21-24-18-9-7-15(13-20(18)27-21)5-4-12-23-11-3-1-2-6-16-14-17(25)8-10-19(16)26/h8,10,14-15,23,25-26H,1-7,9,11-13H2,(H2,22,24)
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117n/an/an/an/an/an/an/an/a



WAYNE STATE UNIVERSITY

US Patent


Assay Description
A well established radioligand competition assay was carried out to evaluate binding affinity of the test compounds and were compared with that of th...


US Patent US10874669 (2020)

More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM476255
PNG
((Z)-4-(5-((2-amino-4,5,6,7-tetrahydrobenzo[d]thiaz...)
Show SMILES Nc1nc2CCC(CCCNCCC\C=C\c3ccc(O)c(O)c3)Cc2s1
Show InChI InChI=1S/C21H29N3O2S/c22-21-24-17-9-7-16(14-20(17)27-21)6-4-12-23-11-3-1-2-5-15-8-10-18(25)19(26)13-15/h2,5,8,10,13,16,23,25-26H,1,3-4,6-7,9,11-12,14H2,(H2,22,24)/b5-2+
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121n/an/an/an/an/an/an/an/a



WAYNE STATE UNIVERSITY

US Patent


Assay Description
A well established radioligand competition assay was carried out to evaluate binding affinity of the test compounds and were compared with that of th...


US Patent US10874669 (2020)

More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50392122
PNG
(CHEMBL2152633 | US10874669, Compound (+)-10)
Show SMILES CCCN(CCN1CCN(CC1)c1ccc2[nH]ccc2c1)[C@H]1CCc2nc(N)sc2C1
Show InChI InChI=1S/C24H34N6S/c1-2-9-29(20-4-6-22-23(17-20)31-24(25)27-22)13-10-28-11-14-30(15-12-28)19-3-5-21-18(16-19)7-8-26-21/h3,5,7-8,16,20,26H,2,4,6,9-15,17H2,1H3,(H2,25,27)/t20-/m0/s1
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US Patent
134n/an/an/an/an/an/an/an/a



WAYNE STATE UNIVERSITY

US Patent


Assay Description
A well established radioligand competition assay was carried out to evaluate binding affinity of the test compounds and were compared with that of th...


US Patent US10874669 (2020)

More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM476260
PNG
((S)-5-(4-(4-(2-((2-amino-4,5,6,7-tetrahydrobenzo[d...)
Show SMILES Nc1nc2CCC(CCCNCCN3CCN(CC3)c3ccc(cc3)-c3ccc4NC(=O)C(=O)c4c3)Cc2s1
Show InChI InChI=1S/C30H36N6O2S/c31-30-34-26-9-3-20(18-27(26)39-30)2-1-11-32-12-13-35-14-16-36(17-15-35)23-7-4-21(5-8-23)22-6-10-25-24(19-22)28(37)29(38)33-25/h4-8,10,19-20,32H,1-3,9,11-18H2,(H2,31,34)(H,33,37,38)
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162n/an/an/an/an/an/an/an/a



WAYNE STATE UNIVERSITY

US Patent


Assay Description
A well established radioligand competition assay was carried out to evaluate binding affinity of the test compounds and were compared with that of th...


US Patent US10874669 (2020)

More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM476248
PNG
(US10874669, Compound 23 (D-548))
Show SMILES COc1cc(CCCCCNCCC[C@H]2CCc3nc(N)sc3C2)ccc1O
Show InChI InChI=1S/C22H33N3O2S/c1-27-20-14-16(9-11-19(20)26)6-3-2-4-12-24-13-5-7-17-8-10-18-21(15-17)28-22(23)25-18/h9,11,14,17,24,26H,2-8,10,12-13,15H2,1H3,(H2,23,25)/t17-/m0/s1
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175n/an/an/an/an/an/an/an/a



WAYNE STATE UNIVERSITY

US Patent


Assay Description
A well established radioligand competition assay was carried out to evaluate binding affinity of the test compounds and were compared with that of th...


US Patent US10874669 (2020)

More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM476254
PNG
((Z)-4-(5-((2-amino-4,5,6,7-tetrahydrobenzo[d]thiaz...)
Show SMILES COc1cc(\C=C\CCCNCCCC2CCc3nc(N)sc3C2)ccc1O
Show InChI InChI=1S/C22H31N3O2S/c1-27-20-14-16(9-11-19(20)26)6-3-2-4-12-24-13-5-7-17-8-10-18-21(15-17)28-22(23)25-18/h3,6,9,11,14,17,24,26H,2,4-5,7-8,10,12-13,15H2,1H3,(H2,23,25)/b6-3+
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233n/an/an/an/an/an/an/an/a



WAYNE STATE UNIVERSITY

US Patent


Assay Description
A well established radioligand competition assay was carried out to evaluate binding affinity of the test compounds and were compared with that of th...


US Patent US10874669 (2020)

More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM476256
PNG
(4-(3-((2-Amino-4,5,6,7-tetrahydrobenzo[d]thiazol-6...)
Show SMILES Nc1nc2CCC(CCCNCCCc3ccc(O)c(O)c3)Cc2s1
Show InChI InChI=1S/C19H27N3O2S/c20-19-22-15-7-5-14(12-18(15)25-19)4-2-10-21-9-1-3-13-6-8-16(23)17(24)11-13/h6,8,11,14,21,23-24H,1-5,7,9-10,12H2,(H2,20,22)
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499n/an/an/an/an/an/an/an/a



WAYNE STATE UNIVERSITY

US Patent


Assay Description
A well established radioligand competition assay was carried out to evaluate binding affinity of the test compounds and were compared with that of th...


US Patent US10874669 (2020)

More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM476247
PNG
(4-(3-((2-Amino-4,5,6,7-tetrahydrobenzo[d]thiazol-6...)
Show SMILES COc1cc(CCCNCCCC2CCc3nc(N)sc3C2)ccc1O
Show InChI InChI=1S/C20H29N3O2S/c1-25-18-12-14(7-9-17(18)24)4-2-10-22-11-3-5-15-6-8-16-19(13-15)26-20(21)23-16/h7,9,12,15,22,24H,2-6,8,10-11,13H2,1H3,(H2,21,23)
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2.40E+3n/an/an/an/an/an/an/an/a



WAYNE STATE UNIVERSITY

US Patent


Assay Description
A well established radioligand competition assay was carried out to evaluate binding affinity of the test compounds and were compared with that of th...


US Patent US10874669 (2020)

More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM476257
PNG
((E)-4-(3-((2-amino-4,5,6,7-tetrahydrobenzo[d]thiaz...)
Show SMILES COc1cc(\C=C\CNCCCC2CCc3nc(N)sc3C2)ccc1O
Show InChI InChI=1S/C20H27N3O2S/c1-25-18-12-14(7-9-17(18)24)4-2-10-22-11-3-5-15-6-8-16-19(13-15)26-20(21)23-16/h2,4,7,9,12,15,22,24H,3,5-6,8,10-11,13H2,1H3,(H2,21,23)/b4-2+
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4.63E+3n/an/an/an/an/an/an/an/a



WAYNE STATE UNIVERSITY

US Patent


Assay Description
A well established radioligand competition assay was carried out to evaluate binding affinity of the test compounds and were compared with that of th...


US Patent US10874669 (2020)

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