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Patent code US10799605

Compile Data Set for Download or QSAR
Found 13 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
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM466499
PNG
(US10799605, Example 4)
Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(cc1C(C)C)C(=O)N(C)CCCN(C)CCCN(C)C(=O)CCCC(O)=O)C(=O)NC1(C2CC3CC(C2)CC1C3)C(=O)OC(C)(C)C
Show InChI InChI=1S/C51H72N6O9/c1-32(2)38-30-35(48(62)56(8)24-14-22-54(6)21-13-23-55(7)44(58)17-12-18-45(59)60)19-20-40(38)57-41(46-42(64-9)15-11-16-43(46)65-10)31-39(53-57)47(61)52-51(49(63)66-50(3,4)5)36-26-33-25-34(28-36)29-37(51)27-33/h11,15-16,19-20,30-34,36-37H,12-14,17-18,21-29H2,1-10H3,(H,52,61)(H,59,60)
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n/an/a 0.870n/an/an/an/an/an/a



3B Pharmaceuticals GMBH

US Patent


Assay Description
In order to determine the binding affinity of compounds comprising a radiolabel for NTR1, a radioligand binding assay was carried out. A radioligand ...


US Patent US10799605 (2020)

More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM466500
PNG
(US10799605, Example 5)
Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(cc1C(C)C)C(=O)N(C)CCCN(C)CCCN(C)C(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(=O)NC1(C2CC3CC(C2)CC1C3)C(O)=O
Show InChI InChI=1S/C58H84N10O13/c1-38(2)44-32-41(13-14-46(44)68-47(54-48(80-6)11-8-12-49(54)81-7)33-45(60-68)55(76)59-58(57(78)79)42-28-39-27-40(30-42)31-43(58)29-39)56(77)63(5)18-10-16-61(3)15-9-17-62(4)50(69)34-64-19-21-65(35-51(70)71)23-25-67(37-53(74)75)26-24-66(22-20-64)36-52(72)73/h8,11-14,32-33,38-40,42-43H,9-10,15-31,34-37H2,1-7H3,(H,59,76)(H,70,71)(H,72,73)(H,74,75)(H,78,79)
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n/an/a 2.90n/an/an/an/an/an/a



3B Pharmaceuticals GMBH

US Patent


Assay Description
In order to determine the binding affinity of compounds comprising a radiolabel for NTR1, a radioligand binding assay was carried out. A radioligand ...


US Patent US10799605 (2020)

More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM466502
PNG
(US10799605, Example 13)
Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(cc1C(C)C)C(=O)N(C)CCCN(C)CCCN(C)C(=S)Nc1ccc(NC(=S)NCCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(C)=O)cc1)C(=O)NC1(C2CC3CC(C2)CC1C3)C(O)=O
Show InChI InChI=1S/C75H110N14O14S2/c1-50(2)59-48-54(23-28-61(59)89-62(69-63(102-7)21-18-22-64(69)103-8)49-60(82-89)70(95)81-75(72(97)98)55-44-52-43-53(46-55)47-56(75)45-52)71(96)84(5)38-19-36-83(4)37-20-39-85(6)74(105)80-58-26-24-57(25-27-58)79-73(104)78-35-14-11-17-42-88(101)68(94)32-30-66(92)77-34-13-10-16-41-87(100)67(93)31-29-65(91)76-33-12-9-15-40-86(99)51(3)90/h18,21-28,48-50,52-53,55-56,99-101H,9-17,19-20,29-47H2,1-8H3,(H,76,91)(H,77,92)(H,80,105)(H,81,95)(H,97,98)(H2,78,79,104)
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n/an/a 3n/an/an/an/an/an/a



3B Pharmaceuticals GMBH

US Patent


Assay Description
In order to determine the binding affinity of compounds comprising a radiolabel for NTR1, a radioligand binding assay was carried out. A radioligand ...


US Patent US10799605 (2020)

More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM466505
PNG
(US10799605, Example 19)
Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(cc1C(C)C)C(=O)N(CCCNC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)CCCN(C)C)C(=O)NC1(C2CC3CC(C2)CC1C3)C(O)=O
Show InChI InChI=1S/C57H82N10O13/c1-37(2)43-31-40(12-13-45(43)67-46(53-47(79-5)10-7-11-48(53)80-6)32-44(60-67)54(75)59-57(56(77)78)41-27-38-26-39(29-41)30-42(57)28-38)55(76)66(17-9-15-61(3)4)16-8-14-58-49(68)33-62-18-20-63(34-50(69)70)22-24-65(36-52(73)74)25-23-64(21-19-62)35-51(71)72/h7,10-13,31-32,37-39,41-42H,8-9,14-30,33-36H2,1-6H3,(H,58,68)(H,59,75)(H,69,70)(H,71,72)(H,73,74)(H,77,78)
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n/an/a 3.40n/an/an/an/an/an/a



3B Pharmaceuticals GMBH

US Patent


Assay Description
In order to determine the binding affinity of compounds comprising a radiolabel for NTR1, a radioligand binding assay was carried out. A radioligand ...


US Patent US10799605 (2020)

More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM466501
PNG
(US10799605, Example 12)
Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(cc1C(C)C)C(=O)N(C)CCCN(C)CCCN(C)C(=O)CCC(=O)NCCCOCCOCCOCCCNC(=O)CCC(N1CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(O)=O)C(=O)NC1(C2CC3CC(C2)CC1C3)C(O)=O
Show InChI InChI=1S/C71H107N11O18/c1-48(2)54-44-51(15-16-56(54)82-58(66-59(96-6)13-8-14-60(66)97-7)45-55(75-82)67(90)74-71(70(94)95)52-40-49-39-50(42-52)43-53(71)41-49)68(91)78(5)26-12-24-76(3)23-11-25-77(4)63(85)20-19-62(84)73-22-10-34-99-36-38-100-37-35-98-33-9-21-72-61(83)18-17-57(69(92)93)81-31-29-79(46-64(86)87)27-28-80(30-32-81)47-65(88)89/h8,13-16,44-45,48-50,52-53,57H,9-12,17-43,46-47H2,1-7H3,(H,72,83)(H,73,84)(H,74,90)(H,86,87)(H,88,89)(H,92,93)(H,94,95)
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n/an/a 4.90n/an/an/an/an/an/a



3B Pharmaceuticals GMBH

US Patent


Assay Description
In order to determine the binding affinity of compounds comprising a radiolabel for NTR1, a radioligand binding assay was carried out. A radioligand ...


US Patent US10799605 (2020)

More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM466504
PNG
(US10799605, Example 18)
Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(cc1C(C)C)C(=O)N(CCCN)CCCN(C)C)C(=O)NC1(C2CC3CC(C2)CC1C3)C(O)=O
Show InChI InChI=1S/C41H56N6O6/c1-25(2)31-23-28(39(49)46(16-8-14-42)17-9-15-45(3)4)12-13-33(31)47-34(37-35(52-5)10-7-11-36(37)53-6)24-32(44-47)38(48)43-41(40(50)51)29-19-26-18-27(21-29)22-30(41)20-26/h7,10-13,23-27,29-30H,8-9,14-22,42H2,1-6H3,(H,43,48)(H,50,51)
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n/an/a 5.30n/an/an/an/an/an/a



3B Pharmaceuticals GMBH

US Patent


Assay Description
In order to determine the binding affinity of compounds comprising a radiolabel for NTR1, a radioligand binding assay was carried out. A radioligand ...


US Patent US10799605 (2020)

More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM466499
PNG
(US10799605, Example 4)
Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(cc1C(C)C)C(=O)N(C)CCCN(C)CCCN(C)C(=O)CCCC(O)=O)C(=O)NC1(C2CC3CC(C2)CC1C3)C(=O)OC(C)(C)C
Show InChI InChI=1S/C51H72N6O9/c1-32(2)38-30-35(48(62)56(8)24-14-22-54(6)21-13-23-55(7)44(58)17-12-18-45(59)60)19-20-40(38)57-41(46-42(64-9)15-11-16-43(46)65-10)31-39(53-57)47(61)52-51(49(63)66-50(3,4)5)36-26-33-25-34(28-36)29-37(51)27-33/h11,15-16,19-20,30-34,36-37H,12-14,17-18,21-29H2,1-10H3,(H,52,61)(H,59,60)
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n/an/a 7.54n/an/an/an/an/an/a



3B Pharmaceuticals GMBH

US Patent


Assay Description
Ca2+ ions are usually kept at nanomolar levels in the cytosol of cells, and act in a number of signal transduction pathways as second messengers. Man...


US Patent US10799605 (2020)

More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM466504
PNG
(US10799605, Example 18)
Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(cc1C(C)C)C(=O)N(CCCN)CCCN(C)C)C(=O)NC1(C2CC3CC(C2)CC1C3)C(O)=O
Show InChI InChI=1S/C41H56N6O6/c1-25(2)31-23-28(39(49)46(16-8-14-42)17-9-15-45(3)4)12-13-33(31)47-34(37-35(52-5)10-7-11-36(37)53-6)24-32(44-47)38(48)43-41(40(50)51)29-19-26-18-27(21-29)22-30(41)20-26/h7,10-13,23-27,29-30H,8-9,14-22,42H2,1-6H3,(H,43,48)(H,50,51)
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n/an/a 8.95n/an/an/an/an/an/a



3B Pharmaceuticals GMBH

US Patent


Assay Description
Ca2+ ions are usually kept at nanomolar levels in the cytosol of cells, and act in a number of signal transduction pathways as second messengers. Man...


US Patent US10799605 (2020)

More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM466505
PNG
(US10799605, Example 19)
Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(cc1C(C)C)C(=O)N(CCCNC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)CCCN(C)C)C(=O)NC1(C2CC3CC(C2)CC1C3)C(O)=O
Show InChI InChI=1S/C57H82N10O13/c1-37(2)43-31-40(12-13-45(43)67-46(53-47(79-5)10-7-11-48(53)80-6)32-44(60-67)54(75)59-57(56(77)78)41-27-38-26-39(29-41)30-42(57)28-38)55(76)66(17-9-15-61(3)4)16-8-14-58-49(68)33-62-18-20-63(34-50(69)70)22-24-65(36-52(73)74)25-23-64(21-19-62)35-51(71)72/h7,10-13,31-32,37-39,41-42H,8-9,14-30,33-36H2,1-6H3,(H,58,68)(H,59,75)(H,69,70)(H,71,72)(H,73,74)(H,77,78)
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n/an/a 12.6n/an/an/an/an/an/a



3B Pharmaceuticals GMBH

US Patent


Assay Description
Ca2+ ions are usually kept at nanomolar levels in the cytosol of cells, and act in a number of signal transduction pathways as second messengers. Man...


US Patent US10799605 (2020)

More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM466502
PNG
(US10799605, Example 13)
Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(cc1C(C)C)C(=O)N(C)CCCN(C)CCCN(C)C(=S)Nc1ccc(NC(=S)NCCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(C)=O)cc1)C(=O)NC1(C2CC3CC(C2)CC1C3)C(O)=O
Show InChI InChI=1S/C75H110N14O14S2/c1-50(2)59-48-54(23-28-61(59)89-62(69-63(102-7)21-18-22-64(69)103-8)49-60(82-89)70(95)81-75(72(97)98)55-44-52-43-53(46-55)47-56(75)45-52)71(96)84(5)38-19-36-83(4)37-20-39-85(6)74(105)80-58-26-24-57(25-27-58)79-73(104)78-35-14-11-17-42-88(101)68(94)32-30-66(92)77-34-13-10-16-41-87(100)67(93)31-29-65(91)76-33-12-9-15-40-86(99)51(3)90/h18,21-28,48-50,52-53,55-56,99-101H,9-17,19-20,29-47H2,1-8H3,(H,76,91)(H,77,92)(H,80,105)(H,81,95)(H,97,98)(H2,78,79,104)
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n/an/a 17.5n/an/an/an/an/an/a



3B Pharmaceuticals GMBH

US Patent


Assay Description
Ca2+ ions are usually kept at nanomolar levels in the cytosol of cells, and act in a number of signal transduction pathways as second messengers. Man...


US Patent US10799605 (2020)

More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM466500
PNG
(US10799605, Example 5)
Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(cc1C(C)C)C(=O)N(C)CCCN(C)CCCN(C)C(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(=O)NC1(C2CC3CC(C2)CC1C3)C(O)=O
Show InChI InChI=1S/C58H84N10O13/c1-38(2)44-32-41(13-14-46(44)68-47(54-48(80-6)11-8-12-49(54)81-7)33-45(60-68)55(76)59-58(57(78)79)42-28-39-27-40(30-42)31-43(58)29-39)56(77)63(5)18-10-16-61(3)15-9-17-62(4)50(69)34-64-19-21-65(35-51(70)71)23-25-67(37-53(74)75)26-24-66(22-20-64)36-52(72)73/h8,11-14,32-33,38-40,42-43H,9-10,15-31,34-37H2,1-7H3,(H,59,76)(H,70,71)(H,72,73)(H,74,75)(H,78,79)
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n/an/a 20n/an/an/an/an/an/a



3B Pharmaceuticals GMBH

US Patent


Assay Description
Ca2+ ions are usually kept at nanomolar levels in the cytosol of cells, and act in a number of signal transduction pathways as second messengers. Man...


US Patent US10799605 (2020)

More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM466501
PNG
(US10799605, Example 12)
Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(cc1C(C)C)C(=O)N(C)CCCN(C)CCCN(C)C(=O)CCC(=O)NCCCOCCOCCOCCCNC(=O)CCC(N1CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(O)=O)C(=O)NC1(C2CC3CC(C2)CC1C3)C(O)=O
Show InChI InChI=1S/C71H107N11O18/c1-48(2)54-44-51(15-16-56(54)82-58(66-59(96-6)13-8-14-60(66)97-7)45-55(75-82)67(90)74-71(70(94)95)52-40-49-39-50(42-52)43-53(71)41-49)68(91)78(5)26-12-24-76(3)23-11-25-77(4)63(85)20-19-62(84)73-22-10-34-99-36-38-100-37-35-98-33-9-21-72-61(83)18-17-57(69(92)93)81-31-29-79(46-64(86)87)27-28-80(30-32-81)47-65(88)89/h8,13-16,44-45,48-50,52-53,57H,9-12,17-43,46-47H2,1-7H3,(H,72,83)(H,73,84)(H,74,90)(H,86,87)(H,88,89)(H,92,93)(H,94,95)
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n/an/a 21.4n/an/an/an/an/an/a



3B Pharmaceuticals GMBH

US Patent


Assay Description
Ca2+ ions are usually kept at nanomolar levels in the cytosol of cells, and act in a number of signal transduction pathways as second messengers. Man...


US Patent US10799605 (2020)

More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM466506
PNG
(US10799605, Example 22)
Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(cc1C(C)C)C(=O)N(C)CCCN(C)CCCN(C)C(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(=O)N[C@@H](C1CCCCC1)C(O)=O
Show InChI InChI=1S/C55H82N10O13/c1-38(2)41-32-40(18-19-43(41)65-44(51-45(77-6)16-11-17-46(51)78-7)33-42(57-65)53(73)56-52(55(75)76)39-14-9-8-10-15-39)54(74)60(5)23-13-21-58(3)20-12-22-59(4)47(66)34-61-24-26-62(35-48(67)68)28-30-64(37-50(71)72)31-29-63(27-25-61)36-49(69)70/h11,16-19,32-33,38-39,52H,8-10,12-15,20-31,34-37H2,1-7H3,(H,56,73)(H,67,68)(H,69,70)(H,71,72)(H,75,76)/t52-/m0/s1
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n/an/a 125n/an/an/an/an/an/a



3B Pharmaceuticals GMBH

US Patent


Assay Description
Ca2+ ions are usually kept at nanomolar levels in the cytosol of cells, and act in a number of signal transduction pathways as second messengers. Man...


US Patent US10799605 (2020)

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