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Patent code US10894807

Compile Data Set for Download or QSAR
Found 103 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
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479434
PNG
(US10894807, ID P242)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNc1cc(OCc2cn(CCF)nn2)ccc1[N+]([O-])=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C23H30FN7O10/c24-8-10-30-12-14(28-29-30)13-41-15-4-6-19(31(39)40)18(11-15)25-9-2-1-3-16(21(34)35)26-23(38)27-17(22(36)37)5-7-20(32)33/h4,6,11-12,16-17,25H,1-3,5,7-10,13H2,(H,32,33)(H,34,35)(H,36,37)(H2,26,27,38)/t16-,17-/m0/s1
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0.0700n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479437
PNG
(US10894807, ID P246)
Show SMILES OC(=O)CCC(NC(=O)N[C@@H](CCCCNC(=O)c1cc(cc(c1)-n1cc(CCCF)nn1)C(=O)NCCCC[C@H](NC(=O)NC(CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C37H50FN9O16/c38-13-5-6-22-19-47(46-45-22)23-17-20(30(52)39-14-3-1-7-24(32(54)55)41-36(62)43-26(34(58)59)9-11-28(48)49)16-21(18-23)31(53)40-15-4-2-8-25(33(56)57)42-37(63)44-27(35(60)61)10-12-29(50)51/h16-19,24-27H,1-15H2,(H,39,52)(H,40,53)(H,48,49)(H,50,51)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H2,41,43,62)(H2,42,44,63)/t24-,25-,26?,27?/m0/s1
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0.160n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479450
PNG
(US10894807, ID P270)
Show SMILES OC(=O)CCC(NC(=O)N[C@@H](CCCCNc1nc(NCCN(CCNc2ccc(c(NCCCCC(NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)n2)[N+]([O-])=O)CCNc2ccc(c(NCCCC[C@H](NC(=O)NC(CCC(O)=O)C(O)=O)C(O)=O)n2)[N+]([O-])=O)ccc1[N+]([O-])=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C57H81N19O27/c77-43(78)19-10-34(52(89)90)67-55(95)64-31(49(83)84)7-1-4-22-61-46-37(74(98)99)13-16-40(70-46)58-25-28-73(29-26-59-41-17-14-38(75(100)101)47(71-41)62-23-5-2-8-32(50(85)86)65-56(96)68-35(53(91)92)11-20-44(79)80)30-27-60-42-18-15-39(76(102)103)48(72-42)63-24-6-3-9-33(51(87)88)66-57(97)69-36(54(93)94)12-21-45(81)82/h13-18,31-36H,1-12,19-30H2,(H,77,78)(H,79,80)(H,81,82)(H,83,84)(H,85,86)(H,87,88)(H,89,90)(H,91,92)(H,93,94)(H2,58,61,70)(H2,59,62,71)(H2,60,63,72)(H2,64,67,95)(H2,65,68,96)(H2,66,69,97)/t31-,32-,33?,34?,35?,36-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479458
PNG
(US10894807, ID P278)
Show SMILES OC(=O)CCC(NC(=O)NC(CCCCNC(=O)CC(CC(=O)NCCCC[C@@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)NC(=O)c1ccc(cc1)-n1cc(CCCF)nn1)C(O)=O)C(O)=O
Show InChI InChI=1S/C41H57FN10O17/c42-17-5-6-24-22-52(51-50-24)26-11-9-23(10-12-26)35(59)45-25(20-31(53)43-18-3-1-7-27(36(60)61)46-40(68)48-29(38(64)65)13-15-33(55)56)21-32(54)44-19-4-2-8-28(37(62)63)47-41(69)49-30(39(66)67)14-16-34(57)58/h9-12,22,25,27-30H,1-8,13-21H2,(H,43,53)(H,44,54)(H,45,59)(H,55,56)(H,57,58)(H,60,61)(H,62,63)(H,64,65)(H,66,67)(H2,46,48,68)(H2,47,49,69)/t25?,27-,28?,29+,30?/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479453
PNG
(US10894807, ID P273)
Show SMILES OC(=O)CCC(NC(=O)N[C@@H](CCCCNc1cc(NCCN(CCNC(=O)Cn2cc(CCCF)nn2)CCNc2ccc(c(NCCCC[C@H](NC(=O)NC(CCC(O)=O)C(O)=O)C(O)=O)n2)[N+]([O-])=O)ccc1[N+]([O-])=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C48H69FN16O19/c49-17-5-6-30-27-63(61-60-30)28-39(66)53-22-25-62(23-20-50-29-9-12-36(64(81)82)35(26-29)51-18-3-1-7-31(43(71)72)55-47(79)57-33(45(75)76)10-15-40(67)68)24-21-52-38-14-13-37(65(83)84)42(59-38)54-19-4-2-8-32(44(73)74)56-48(80)58-34(46(77)78)11-16-41(69)70/h9,12-14,26-27,31-34,50-51H,1-8,10-11,15-25,28H2,(H,53,66)(H,67,68)(H,69,70)(H,71,72)(H,73,74)(H,75,76)(H,77,78)(H2,52,54,59)(H2,55,57,79)(H2,56,58,80)/t31-,32-,33?,34?/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479444
PNG
(US10894807, ID P253)
Show SMILES OC(=O)CC[C@H](NC(=O)NC(Cc1ccc(NC(=O)c2cc(cc(c2)-n2cc(CCCF)nn2)C(O)=O)cc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C28H29FN6O10/c29-9-1-2-19-14-35(34-33-19)20-12-16(11-17(13-20)25(39)40)24(38)30-18-5-3-15(4-6-18)10-22(27(43)44)32-28(45)31-21(26(41)42)7-8-23(36)37/h3-6,11-14,21-22H,1-2,7-10H2,(H,30,38)(H,36,37)(H,39,40)(H,41,42)(H,43,44)(H2,31,32,45)/t21-,22?/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479415
PNG
(US10894807, ID P200)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=S)Nc1ccc(cc1)-n1cc(CCCF)nn1)C(O)=O)C(O)=O
Show InChI InChI=1S/C24H32FN7O7S/c25-12-3-4-16-14-32(31-30-16)17-8-6-15(7-9-17)27-24(40)26-13-2-1-5-18(21(35)36)28-23(39)29-19(22(37)38)10-11-20(33)34/h6-9,14,18-19H,1-5,10-13H2,(H,33,34)(H,35,36)(H,37,38)(H2,26,27,40)(H2,28,29,39)/t18-,19-/m0/s1
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<0.300n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479429
PNG
(US10894807, ID P235)
Show SMILES OC(=O)CC[C@H](NC(=O)NCCCCCNc1nc(cs1)-c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C21H26N4O7S/c26-18(27)7-5-14(19(28)29)24-20(30)22-8-2-1-3-9-23-21-25-15(11-33-21)13-4-6-16-17(10-13)32-12-31-16/h4,6,10-11,14H,1-3,5,7-9,12H2,(H,23,25)(H,26,27)(H,28,29)(H2,22,24,30)/t14-/m0/s1
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<0.300n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479431
PNG
(US10894807, ID P238)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](Cc1ccc(NC(=O)c2cc(cc(c2)-n2cc(CCCF)nn2)C(=O)Nc2ccc(C[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)cc2)cc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C43H46FN9O16/c44-15-1-2-28-21-53(52-51-28)29-19-24(36(58)45-26-7-3-22(4-8-26)16-32(40(64)65)49-42(68)47-30(38(60)61)11-13-34(54)55)18-25(20-29)37(59)46-27-9-5-23(6-10-27)17-33(41(66)67)50-43(69)48-31(39(62)63)12-14-35(56)57/h3-10,18-21,30-33H,1-2,11-17H2,(H,45,58)(H,46,59)(H,54,55)(H,56,57)(H,60,61)(H,62,63)(H,64,65)(H,66,67)(H2,47,49,68)(H2,48,50,69)/t30-,31-,32-,33-/m0/s1
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<0.300n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479449
PNG
(US10894807, ID P266)
Show SMILES OC(=O)CC[C@@H](NC(=O)N[C@H](CCCCNc1cc(OCC(COc2ccc(c(NCCCC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)c2)[N+]([O-])=O)n2cc(CCCF)nn2)ccc1[N+]([O-])=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C44H58FN11O20/c45-17-5-6-25-22-54(53-52-25)26(23-75-27-9-13-35(55(71)72)33(20-27)46-18-3-1-7-29(39(61)62)48-43(69)50-31(41(65)66)11-15-37(57)58)24-76-28-10-14-36(56(73)74)34(21-28)47-19-4-2-8-30(40(63)64)49-44(70)51-32(42(67)68)12-16-38(59)60/h9-10,13-14,20-22,26,29-32,46-47H,1-8,11-12,15-19,23-24H2,(H,57,58)(H,59,60)(H,61,62)(H,63,64)(H,65,66)(H,67,68)(H2,48,50,69)(H2,49,51,70)/t26?,29-,30+,31-,32+
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0.300n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479442
PNG
(US10894807, ID P251)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNc1cc(OCCOCCOCCn2cc(CCCF)nn2)ccc1[N+]([O-])=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C29H42FN7O12/c30-10-3-4-20-19-36(35-34-20)12-13-47-14-15-48-16-17-49-21-6-8-25(37(45)46)24(18-21)31-11-2-1-5-22(27(40)41)32-29(44)33-23(28(42)43)7-9-26(38)39/h6,8,18-19,22-23,31H,1-5,7,9-17H2,(H,38,39)(H,40,41)(H,42,43)(H2,32,33,44)/t22-,23-/m0/s1
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0.340n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479433
PNG
(US10894807, ID P241)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](Cc1ccc(NC(=O)c2ccc(F)cc2)cc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C22H22FN3O8/c23-14-5-3-13(4-6-14)19(29)24-15-7-1-12(2-8-15)11-17(21(32)33)26-22(34)25-16(20(30)31)9-10-18(27)28/h1-8,16-17H,9-11H2,(H,24,29)(H,27,28)(H,30,31)(H,32,33)(H2,25,26,34)/t16-,17-/m0/s1
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0.380n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479435
PNG
(US10894807, ID P244)
Show SMILES OC(=O)CC[C@H](NC(=O)NCCCCCNc1nc(cs1)-c1cccc(NC(=O)Cn2cc(CCCF)nn2)c1)C(O)=O
Show InChI InChI=1S/C27H35FN8O6S/c28-11-5-8-20-15-36(35-34-20)16-23(37)31-19-7-4-6-18(14-19)22-17-43-27(33-22)30-13-3-1-2-12-29-26(42)32-21(25(40)41)9-10-24(38)39/h4,6-7,14-15,17,21H,1-3,5,8-13,16H2,(H,30,33)(H,31,37)(H,38,39)(H,40,41)(H2,29,32,42)/t21-/m0/s1
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0.380n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479457
PNG
(US10894807, ID P277)
Show SMILES OC(=O)CC[C@@H](NC(=O)N[C@@H](CCCCNc1cc(OCC(COc2ccc(c(NCCCC[C@@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)c2)[N+]([O-])=O)OCc2cn(CCF)nn2)ccc1[N+]([O-])=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C44H58FN11O21/c45-15-18-54-21-25(52-53-54)22-75-28(23-76-26-7-11-35(55(71)72)33(19-26)46-16-3-1-5-29(39(61)62)48-43(69)50-31(41(65)66)9-13-37(57)58)24-77-27-8-12-36(56(73)74)34(20-27)47-17-4-2-6-30(40(63)64)49-44(70)51-32(42(67)68)10-14-38(59)60/h7-8,11-12,19-21,28-32,46-47H,1-6,9-10,13-18,22-24H2,(H,57,58)(H,59,60)(H,61,62)(H,63,64)(H,65,66)(H,67,68)(H2,48,50,69)(H2,49,51,70)/t28?,29-,30+,31+,32-
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0.400n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479445
PNG
(US10894807, ID P254)
Show SMILES OC(=O)CC[C@H](NC(=O)NCCCCCNc1nc(cs1)-c1cccc(NC(=O)CCOCCOCCOCCOCCNC(=O)Cn2cc(CCCF)nn2)c1)C(O)=O
Show InChI InChI=1S/C38H56FN9O11S/c39-12-5-8-30-25-48(47-46-30)26-34(50)40-15-17-57-19-21-59-23-22-58-20-18-56-16-11-33(49)43-29-7-4-6-28(24-29)32-27-60-38(45-32)42-14-3-1-2-13-41-37(55)44-31(36(53)54)9-10-35(51)52/h4,6-7,24-25,27,31H,1-3,5,8-23,26H2,(H,40,50)(H,42,45)(H,43,49)(H,51,52)(H,53,54)(H2,41,44,55)/t31-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479464
PNG
(US10894807, ID P285)
Show SMILES OC(=O)CCC(NC(=O)N[C@@H](Cc1ccc(NC(=O)CCC(CCC(=O)Nc2ccc(CC(NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)cc2)(CCC(=O)Nc2ccc(C[C@H](NC(=O)NC(CCC(O)=O)C(O)=O)C(O)=O)cc2)NC(=O)CCCCn2cc(CCCF)nn2)cc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C65H82FN13O25/c66-30-3-4-42-35-79(78-77-42)31-2-1-5-52(83)76-65(27-24-49(80)67-39-12-6-36(7-13-39)32-46(59(96)97)73-62(102)70-43(56(90)91)18-21-53(84)85,28-25-50(81)68-40-14-8-37(9-15-40)33-47(60(98)99)74-63(103)71-44(57(92)93)19-22-54(86)87)29-26-51(82)69-41-16-10-38(11-17-41)34-48(61(100)101)75-64(104)72-45(58(94)95)20-23-55(88)89/h6-17,35,43-48H,1-5,18-34H2,(H,67,80)(H,68,81)(H,69,82)(H,76,83)(H,84,85)(H,86,87)(H,88,89)(H,90,91)(H,92,93)(H,94,95)(H,96,97)(H,98,99)(H,100,101)(H2,70,73,102)(H2,71,74,103)(H2,72,75,104)/t43-,44?,45?,46?,47-,48-,65?/m0/s1
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0.5n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479426
PNG
(US10894807, ID P222)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](Cc1ccc(NC(=O)N2CCN(CC2)C(=O)OCc2ccccc2)cc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C28H33N5O10/c34-23(35)11-10-21(24(36)37)30-26(40)31-22(25(38)39)16-18-6-8-20(9-7-18)29-27(41)32-12-14-33(15-13-32)28(42)43-17-19-4-2-1-3-5-19/h1-9,21-22H,10-17H2,(H,29,41)(H,34,35)(H,36,37)(H,38,39)(H2,30,31,40)/t21-,22-/m0/s1
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0.560n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479425
PNG
(US10894807, ID P218)
Show SMILES OC(=O)CC[C@H](NC(=O)NC(CCCCNc1nc(cs1)-c1ccc(cc1)-n1cc(CCCF)nn1)C(O)=O)C(O)=O
Show InChI InChI=1S/C26H32FN7O7S/c27-12-3-4-17-14-34(33-32-17)18-8-6-16(7-9-18)21-15-42-26(31-21)28-13-2-1-5-19(23(37)38)29-25(41)30-20(24(39)40)10-11-22(35)36/h6-9,14-15,19-20H,1-5,10-13H2,(H,28,31)(H,35,36)(H,37,38)(H,39,40)(H2,29,30,41)/t19?,20-/m0/s1
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0.600n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479438
PNG
(US10894807, ID P247)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCn1c2cc(OCc3cn(CCF)nn3)ccc2[nH]c1=O)C(O)=O)C(O)=O
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0.630n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479469
PNG
(US10894807, ID P292)
Show SMILES OC(=O)CCC(NC(=O)N[C@H](CC1CCN(CC1)C(=O)CCC(CCC(=O)N1CCC(C[C@H](NC(=O)NC(CCC(O)=O)C(O)=O)C(O)=O)CC1)NC(=O)c1ccc(cc1)-n1cc(CCCF)nn1)C(O)=O)C(O)=O
Show InChI InChI=1S/C47H65FN10O17/c48-19-1-2-31-26-58(55-54-31)32-7-3-29(4-8-32)41(65)49-30(5-11-37(59)56-20-15-27(16-21-56)24-35(44(70)71)52-46(74)50-33(42(66)67)9-13-39(61)62)6-12-38(60)57-22-17-28(18-23-57)25-36(45(72)73)53-47(75)51-34(43(68)69)10-14-40(63)64/h3-4,7-8,26-28,30,33-36H,1-2,5-6,9-25H2,(H,49,65)(H,61,62)(H,63,64)(H,66,67)(H,68,69)(H,70,71)(H,72,73)(H2,50,52,74)(H2,51,53,75)/t30?,33?,34?,35-,36+
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0.700n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479375
PNG
(US10894807, ID P033)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C20H27N3O9/c24-16(25)10-9-15(18(28)29)23-19(30)22-14(17(26)27)8-4-5-11-21-20(31)32-12-13-6-2-1-3-7-13/h1-3,6-7,14-15H,4-5,8-12H2,(H,21,31)(H,24,25)(H,26,27)(H,28,29)(H2,22,23,30)/t14-,15-/m0/s1
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0.780n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479451
PNG
(US10894807, ID P271)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNc1cc(NCCOCCn2cc(CCCF)nn2)ncn1)C(O)=O)C(O)=O
Show InChI InChI=1S/C25H38FN9O8/c26-8-3-4-17-15-35(34-33-17)11-13-43-12-10-28-21-14-20(29-16-30-21)27-9-2-1-5-18(23(38)39)31-25(42)32-19(24(40)41)6-7-22(36)37/h14-16,18-19H,1-13H2,(H,36,37)(H,38,39)(H,40,41)(H2,31,32,42)(H2,27,28,29,30)/t18-,19-/m0/s1
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0.800n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479463
PNG
(US10894807, ID P283)
Show SMILES OC(=O)CCC(NC(=O)N[C@@H](CCCCNC(=O)c1cc(NC(=O)Cn2cc(CCCF)nn2)cc(c1)C(=O)NCCCC[C@H](NC(=O)NC(CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C39H53FN10O17/c40-13-5-6-23-19-50(49-48-23)20-29(51)43-24-17-21(32(56)41-14-3-1-7-25(34(58)59)44-38(66)46-27(36(62)63)9-11-30(52)53)16-22(18-24)33(57)42-15-4-2-8-26(35(60)61)45-39(67)47-28(37(64)65)10-12-31(54)55/h16-19,25-28H,1-15,20H2,(H,41,56)(H,42,57)(H,43,51)(H,52,53)(H,54,55)(H,58,59)(H,60,61)(H,62,63)(H,64,65)(H2,44,46,66)(H2,45,47,67)/t25-,26-,27?,28?/m0/s1
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0.900n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479460
PNG
(US10894807, ID P280)
Show SMILES OC(=O)CCC(NC(=O)N[C@@H](Cc1ccc(NC(=O)CCC(CCC(=O)Nc2ccc(C[C@H](NC(=O)NC(CCC(O)=O)C(O)=O)C(O)=O)cc2)NC(=O)c2ccc(cc2)-n2cc(CCCF)nn2)cc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C49H57FN10O17/c50-23-1-2-33-26-60(59-58-33)34-15-7-29(8-16-34)43(67)53-32(13-19-39(61)51-30-9-3-27(4-10-30)24-37(46(72)73)56-48(76)54-35(44(68)69)17-21-41(63)64)14-20-40(62)52-31-11-5-28(6-12-31)25-38(47(74)75)57-49(77)55-36(45(70)71)18-22-42(65)66/h3-12,15-16,26,32,35-38H,1-2,13-14,17-25H2,(H,51,61)(H,52,62)(H,53,67)(H,63,64)(H,65,66)(H,68,69)(H,70,71)(H,72,73)(H,74,75)(H2,54,56,76)(H2,55,57,77)/t32?,35?,36?,37-,38-/m0/s1
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0.900n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479466
PNG
(US10894807, ID P287)
Show SMILES OC(=O)CCC(NC(=O)N[C@@H](CCCCNC(=O)CCC(CCC(=O)NCCCC[C@H](NC(=O)NC(CCC(O)=O)C(O)=O)C(O)=O)(CCC(=O)NCCCC[C@H](NC(=O)NC(CCC(O)=O)C(O)=O)C(O)=O)NC(=O)c1ccc(cc1)-n1cc(CCCF)nn1)C(O)=O)C(O)=O
Show InChI InChI=1S/C58H84FN13O25/c59-28-7-8-34-32-72(71-70-34)35-14-12-33(13-15-35)48(82)69-58(25-22-42(73)60-29-4-1-9-36(49(83)84)63-55(95)66-39(52(89)90)16-19-45(76)77,26-23-43(74)61-30-5-2-10-37(50(85)86)64-56(96)67-40(53(91)92)17-20-46(78)79)27-24-44(75)62-31-6-3-11-38(51(87)88)65-57(97)68-41(54(93)94)18-21-47(80)81/h12-15,32,36-41H,1-11,16-31H2,(H,60,73)(H,61,74)(H,62,75)(H,69,82)(H,76,77)(H,78,79)(H,80,81)(H,83,84)(H,85,86)(H,87,88)(H,89,90)(H,91,92)(H,93,94)(H2,63,66,95)(H2,64,67,96)(H2,65,68,97)/t36-,37-,38-,39?,40?,41?,58?/m0/s1
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1n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479447
PNG
(US10894807, ID P261)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)CC[C@H](NC(=O)Cn1cc(CCCF)nn1)C(=O)NCCCC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C36H55FN10O17/c37-15-5-6-20-18-47(46-45-20)19-27(49)40-21(30(54)39-17-4-2-8-23(32(57)58)42-36(64)44-25(34(61)62)11-14-29(52)53)9-12-26(48)38-16-3-1-7-22(31(55)56)41-35(63)43-24(33(59)60)10-13-28(50)51/h18,21-25H,1-17,19H2,(H,38,48)(H,39,54)(H,40,49)(H,50,51)(H,52,53)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H2,41,43,63)(H2,42,44,64)/t21-,22-,23-,24-,25-/m0/s1
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1n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479427
PNG
(US10894807, ID P223)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](Cc1ccc(NC(=O)Nc2ccc(C[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)cc2)cc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C31H36N6O15/c38-23(39)11-9-19(25(42)43)34-30(51)36-21(27(46)47)13-15-1-5-17(6-2-15)32-29(50)33-18-7-3-16(4-8-18)14-22(28(48)49)37-31(52)35-20(26(44)45)10-12-24(40)41/h1-8,19-22H,9-14H2,(H,38,39)(H,40,41)(H,42,43)(H,44,45)(H,46,47)(H,48,49)(H2,32,33,50)(H2,34,36,51)(H2,35,37,52)/t19-,20-,21-,22-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479462
PNG
(US10894807, ID P282)
Show SMILES OC(=O)CCC(NC(=O)N[C@@H](CCCCNC(=O)CCC(CCC(=O)NCCCC[C@H](NC(=O)NC(CCC(O)=O)C(O)=O)C(O)=O)NC(=O)c1ccc(cc1)-n1cc(CCCF)nn1)C(O)=O)C(O)=O
Show InChI InChI=1S/C43H61FN10O17/c44-21-5-6-27-24-54(53-52-27)28-13-9-25(10-14-28)37(61)47-26(11-17-33(55)45-22-3-1-7-29(38(62)63)48-42(70)50-31(40(66)67)15-19-35(57)58)12-18-34(56)46-23-4-2-8-30(39(64)65)49-43(71)51-32(41(68)69)16-20-36(59)60/h9-10,13-14,24,26,29-32H,1-8,11-12,15-23H2,(H,45,55)(H,46,56)(H,47,61)(H,57,58)(H,59,60)(H,62,63)(H,64,65)(H,66,67)(H,68,69)(H2,48,50,70)(H2,49,51,71)/t26?,29-,30-,31?,32?/m0/s1
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Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479448
PNG
(US10894807, ID P263)
Show SMILES OC(=O)CCC(NC(=O)N[C@@H](CCCCNC(=O)N1CCN(CC1)C(=O)c1cc(cc(c1)-n1cc(CCCF)nn1)C(=O)N1CCN(CC1)C(=O)NCCCC[C@H](NC(=O)NC(CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C47H66FN13O18/c48-13-5-6-30-27-61(56-55-30)31-25-28(38(66)57-16-20-59(21-17-57)46(78)49-14-3-1-7-32(40(68)69)51-44(76)53-34(42(72)73)9-11-36(62)63)24-29(26-31)39(67)58-18-22-60(23-19-58)47(79)50-15-4-2-8-33(41(70)71)52-45(77)54-35(43(74)75)10-12-37(64)65/h24-27,32-35H,1-23H2,(H,49,78)(H,50,79)(H,62,63)(H,64,65)(H,68,69)(H,70,71)(H,72,73)(H,74,75)(H2,51,53,76)(H2,52,54,77)/t32-,33-,34?,35?/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479461
PNG
(US10894807, ID P281)
Show SMILES OC(=O)CCC(NC(=O)N[C@@H](CCCCNC(=O)N1CCN(CC1)C(=O)CCC(CCC(=O)N1CCN(CC1)C(=O)NCCCC[C@H](NC(=O)NC(CCC(O)=O)C(O)=O)C(O)=O)NC(=O)c1ccc(cc1)-n1cc(CCCF)nn1)C(O)=O)C(O)=O
Show InChI InChI=1S/C53H77FN14O19/c54-21-5-6-35-32-68(63-62-35)36-13-9-33(10-14-36)45(75)57-34(11-17-41(69)64-24-28-66(29-25-64)52(86)55-22-3-1-7-37(46(76)77)58-50(84)60-39(48(80)81)15-19-43(71)72)12-18-42(70)65-26-30-67(31-27-65)53(87)56-23-4-2-8-38(47(78)79)59-51(85)61-40(49(82)83)16-20-44(73)74/h9-10,13-14,32,34,37-40H,1-8,11-12,15-31H2,(H,55,86)(H,56,87)(H,57,75)(H,71,72)(H,73,74)(H,76,77)(H,78,79)(H,80,81)(H,82,83)(H2,58,60,84)(H2,59,61,85)/t34?,37-,38-,39?,40?/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479456
PNG
(US10894807, ID P276)
Show SMILES OC(=O)CCC(NC(=O)NC(CCCCNC(=O)CC(CC(=O)NCCCC[C@@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)NC(=O)Cn1cc(CCCF)nn1)C(O)=O)C(O)=O
Show InChI InChI=1S/C36H55FN10O17/c37-13-5-6-20-18-47(46-45-20)19-28(50)40-21(16-26(48)38-14-3-1-7-22(31(55)56)41-35(63)43-24(33(59)60)9-11-29(51)52)17-27(49)39-15-4-2-8-23(32(57)58)42-36(64)44-25(34(61)62)10-12-30(53)54/h18,21-25H,1-17,19H2,(H,38,48)(H,39,49)(H,40,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H2,41,43,63)(H2,42,44,64)/t21?,22-,23?,24+,25?/m1/s1
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1.30n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479379
PNG
(US10894807, ID P054)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1ccc(cc1)-n1cc(CCCF)nn1)C(O)=O)C(O)=O
Show InChI InChI=1S/C24H31FN6O8/c25-12-3-4-16-14-31(30-29-16)17-8-6-15(7-9-17)21(34)26-13-2-1-5-18(22(35)36)27-24(39)28-19(23(37)38)10-11-20(32)33/h6-9,14,18-19H,1-5,10-13H2,(H,26,34)(H,32,33)(H,35,36)(H,37,38)(H2,27,28,39)/t18-,19-/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479459
PNG
(US10894807, ID P279)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCc1nc(co1)-c1ccc(cc1)[N+]([O-])=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C19H20N4O10/c24-16(25)8-6-13(18(28)29)22-19(30)21-12(17(26)27)5-7-15-20-14(9-33-15)10-1-3-11(4-2-10)23(31)32/h1-4,9,12-13H,5-8H2,(H,24,25)(H,26,27)(H,28,29)(H2,21,22,30)/t12-,13-/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479422
PNG
(US10894807, ID P215)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](Cc1ccc(NC(=O)c2ccc(cc2)-n2cc(CCCF)nn2)cc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C27H29FN6O8/c28-13-1-2-19-15-34(33-32-19)20-9-5-17(6-10-20)24(37)29-18-7-3-16(4-8-18)14-22(26(40)41)31-27(42)30-21(25(38)39)11-12-23(35)36/h3-10,15,21-22H,1-2,11-14H2,(H,29,37)(H,35,36)(H,38,39)(H,40,41)(H2,30,31,42)/t21-,22-/m0/s1
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2.20n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479452
PNG
(US10894807, ID P272)
Show SMILES OC(=O)CCC(NC(=O)N[C@H](CC1CCN(CC1)C(=O)c1cc(cc(c1)-n1cc(CCCF)nn1)C(=O)N1CCC(C[C@H](NC(=O)NC(CCC(O)=O)C(O)=O)C(O)=O)CC1)C(O)=O)C(O)=O
Show InChI InChI=1S/C41H54FN9O16/c42-11-1-2-26-21-51(48-47-26)27-19-24(34(56)49-12-7-22(8-13-49)16-30(38(62)63)45-40(66)43-28(36(58)59)3-5-32(52)53)18-25(20-27)35(57)50-14-9-23(10-15-50)17-31(39(64)65)46-41(67)44-29(37(60)61)4-6-33(54)55/h18-23,28-31H,1-17H2,(H,52,53)(H,54,55)(H,58,59)(H,60,61)(H,62,63)(H,64,65)(H2,43,45,66)(H2,44,46,67)/t28?,29?,30-,31+
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2.5n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50246934
PNG
((S)-2-(3-((S)-1-carboxy-5-(4-fluorobenzamido)penty...)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1ccc(F)cc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C19H24FN3O8/c20-12-6-4-11(5-7-12)16(26)21-10-2-1-3-13(17(27)28)22-19(31)23-14(18(29)30)8-9-15(24)25/h4-7,13-14H,1-3,8-10H2,(H,21,26)(H,24,25)(H,27,28)(H,29,30)(H2,22,23,31)/t13-,14-/m0/s1
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3.10n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479421
PNG
(US10894807, ID P212)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](Cc1ccc(NC(=O)Nc2ccc(cc2)-n2cc(CCCF)nn2)cc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C27H30FN7O8/c28-13-1-2-19-15-35(34-33-19)20-9-7-18(8-10-20)30-26(42)29-17-5-3-16(4-6-17)14-22(25(40)41)32-27(43)31-21(24(38)39)11-12-23(36)37/h3-10,15,21-22H,1-2,11-14H2,(H,36,37)(H,38,39)(H,40,41)(H2,29,30,42)(H2,31,32,43)/t21-,22-/m0/s1
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3.10n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479439
PNG
(US10894807, ID P248)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](Cc1ccc(NC(=O)N2CCN(CC2)C(=O)c2ccc(cc2)-n2cc(CCCF)nn2)cc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C32H37FN8O9/c33-13-1-2-23-19-41(38-37-23)24-9-5-21(6-10-24)28(44)39-14-16-40(17-15-39)32(50)34-22-7-3-20(4-8-22)18-26(30(47)48)36-31(49)35-25(29(45)46)11-12-27(42)43/h3-10,19,25-26H,1-2,11-18H2,(H,34,50)(H,42,43)(H,45,46)(H,47,48)(H2,35,36,49)/t25-,26-/m0/s1
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3.40n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479430
PNG
(US10894807, ID P237)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](Cc1ccc(NC(=O)N2CCN(CC2)C(=O)Cn2cc(CCCF)nn2)cc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C27H35FN8O9/c28-9-1-2-19-15-36(33-32-19)16-22(37)34-10-12-35(13-11-34)27(45)29-18-5-3-17(4-6-18)14-21(25(42)43)31-26(44)30-20(24(40)41)7-8-23(38)39/h3-6,15,20-21H,1-2,7-14,16H2,(H,29,45)(H,38,39)(H,40,41)(H,42,43)(H2,30,31,44)/t20-,21-/m0/s1
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3.80n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479441
PNG
(US10894807, ID P250)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CC1CCN(CC1)C(=S)Nc1ccc(cc1)-n1cc(CCCF)nn1)C(O)=O)C(O)=O
Show InChI InChI=1S/C26H34FN7O7S/c27-11-1-2-18-15-34(32-31-18)19-5-3-17(4-6-19)28-26(42)33-12-9-16(10-13-33)14-21(24(39)40)30-25(41)29-20(23(37)38)7-8-22(35)36/h3-6,15-16,20-21H,1-2,7-14H2,(H,28,42)(H,35,36)(H,37,38)(H,39,40)(H2,29,30,41)/t20-,21-/m0/s1
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4.10n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479468
PNG
(US10894807, ID P291)
Show SMILES OC(=O)CCC(NC(=O)N[C@@H](Cc1ccc(NC(=O)CCC(CCC(=O)Nc2ccc(C[C@H](NC(=O)NC(CCC(O)=O)C(O)=O)C(O)=O)cc2)(CCC(=O)Nc2ccc(C[C@H](NC(=O)NC(CCC(O)=O)C(O)=O)C(O)=O)cc2)NC(=O)Cn2cc(CCCF)nn2)cc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C62H76FN13O25/c63-27-1-2-39-31-76(75-74-39)32-49(80)73-62(24-21-46(77)64-36-9-3-33(4-10-36)28-43(56(93)94)70-59(99)67-40(53(87)88)15-18-50(81)82,25-22-47(78)65-37-11-5-34(6-12-37)29-44(57(95)96)71-60(100)68-41(54(89)90)16-19-51(83)84)26-23-48(79)66-38-13-7-35(8-14-38)30-45(58(97)98)72-61(101)69-42(55(91)92)17-20-52(85)86/h3-14,31,40-45H,1-2,15-30,32H2,(H,64,77)(H,65,78)(H,66,79)(H,73,80)(H,81,82)(H,83,84)(H,85,86)(H,87,88)(H,89,90)(H,91,92)(H,93,94)(H,95,96)(H,97,98)(H2,67,70,99)(H2,68,71,100)(H2,69,72,101)/t40?,41?,42?,43-,44-,45-,62?/m0/s1
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5n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM17659
PNG
((R,S)-2-phosphonomethylpentanedioic acid | 2-(phos...)
Show SMILES OC(=O)CCC(CP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C6H11O7P/c7-5(8)2-1-4(6(9)10)3-14(11,12)13/h4H,1-3H2,(H,7,8)(H,9,10)(H2,11,12,13)
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6.60n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479408
PNG
(US10894807, ID P188)
Show SMILES OC(=O)CC[C@H](NC(=O)NC(CCCCn1cc(CCCF)nn1)C(O)=O)C(O)=O
Show InChI InChI=1S/C17H26FN5O7/c18-8-3-4-11-10-23(22-21-11)9-2-1-5-12(15(26)27)19-17(30)20-13(16(28)29)6-7-14(24)25/h10,12-13H,1-9H2,(H,24,25)(H,26,27)(H,28,29)(H2,19,20,30)/t12?,13-/m0/s1
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6.60n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479455
PNG
(US10894807, ID P275)
Show SMILES OC(=O)CCC(NC(=O)N[C@@H](Cc1ccc(NC(=O)N2CCN(CC2)C(=O)c2cc(cc(c2)-n2cc(CCCF)nn2)C(=O)N2CCN(CC2)C(=O)Nc2ccc(C[C@H](NC(=O)NC(CCC(O)=O)C(O)=O)C(O)=O)cc2)cc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C53H62FN13O18/c54-15-1-2-36-29-67(62-61-36)37-27-32(44(72)63-16-20-65(21-17-63)52(84)55-34-7-3-30(4-8-34)24-40(48(78)79)59-50(82)57-38(46(74)75)11-13-42(68)69)26-33(28-37)45(73)64-18-22-66(23-19-64)53(85)56-35-9-5-31(6-10-35)25-41(49(80)81)60-51(83)58-39(47(76)77)12-14-43(70)71/h3-10,26-29,38-41H,1-2,11-25H2,(H,55,84)(H,56,85)(H,68,69)(H,70,71)(H,74,75)(H,76,77)(H,78,79)(H,80,81)(H2,57,59,82)(H2,58,60,83)/t38?,39?,40-,41-/m0/s1
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6.60n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479419
PNG
(US10894807, ID P204)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](COCc1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C16H20N2O8/c19-13(20)7-6-11(14(21)22)17-16(25)18-12(15(23)24)9-26-8-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,19,20)(H,21,22)(H,23,24)(H2,17,18,25)/t11-,12-/m0/s1
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6.90n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479382
PNG
(US10894807, ID P065)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](Cc1ccc(NC(=O)CCCn2cc(CCCF)nn2)cc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C24H31FN6O8/c25-11-1-3-17-14-31(30-29-17)12-2-4-20(32)26-16-7-5-15(6-8-16)13-19(23(37)38)28-24(39)27-18(22(35)36)9-10-21(33)34/h5-8,14,18-19H,1-4,9-13H2,(H,26,32)(H,33,34)(H,35,36)(H,37,38)(H2,27,28,39)/t18-,19-/m0/s1
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9.10n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479440
PNG
(US10894807, ID P249)
Show SMILES OC(=O)CCC(NC(=O)N[C@@H](CCCCNC(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-n1cc(CCCF)nn1)C(O)=O)C(O)=O
Show InChI InChI=1S/C29H39FN8O9/c30-12-3-4-20-18-38(35-34-20)21-8-6-19(7-9-21)25(41)36-14-16-37(17-15-36)29(47)31-13-2-1-5-22(26(42)43)32-28(46)33-23(27(44)45)10-11-24(39)40/h6-9,18,22-23H,1-5,10-17H2,(H,31,47)(H,39,40)(H,42,43)(H,44,45)(H2,32,33,46)/t22-,23?/m0/s1
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9.40n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479467
PNG
(US10894807, ID P288)
Show SMILES NCCOCCOCCOCCOCc1cn(nn1)-c1cc(cc(c1)C(=O)NCCCC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(=O)NCCCC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C43H64N10O20/c44-11-14-70-15-16-71-17-18-72-19-20-73-25-28-24-53(52-51-28)29-22-26(36(58)45-12-3-1-5-30(38(60)61)47-42(68)49-32(40(64)65)7-9-34(54)55)21-27(23-29)37(59)46-13-4-2-6-31(39(62)63)48-43(69)50-33(41(66)67)8-10-35(56)57/h21-24,30-33H,1-20,25,44H2,(H,45,58)(H,46,59)(H,54,55)(H,56,57)(H,60,61)(H,62,63)(H,64,65)(H,66,67)(H2,47,49,68)(H2,48,50,69)/t30-,31-,32-,33-/m0/s1
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9.70n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479376
PNG
(US10894807, ID P045)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)CCCn1cc(CCCF)nn1)C(O)=O)C(O)=O
Show InChI InChI=1S/C21H33FN6O8/c22-10-3-5-14-13-28(27-26-14)12-4-7-17(29)23-11-2-1-6-15(19(32)33)24-21(36)25-16(20(34)35)8-9-18(30)31/h13,15-16H,1-12H2,(H,23,29)(H,30,31)(H,32,33)(H,34,35)(H2,24,25,36)/t15-,16-/m0/s1
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10.9n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479465
PNG
(US10894807, ID P286)
Show SMILES OC(=O)CC[C@H](NC(=O)NC(CCCCNC(=O)c1cc(cc(c1)-n1cc(CCCF)nn1)C(=O)N1CCN(CC1)C(=O)Nc1ccc(C[C@H](NC(=O)N[C@H](CCC(O)=O)C(O)=O)C(O)=O)cc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C45H56FN11O17/c46-14-3-4-29-24-57(54-53-29)30-22-26(37(62)47-15-2-1-5-31(39(64)65)49-43(72)50-32(40(66)67)10-12-35(58)59)21-27(23-30)38(63)55-16-18-56(19-17-55)45(74)48-28-8-6-25(7-9-28)20-34(42(70)71)52-44(73)51-33(41(68)69)11-13-36(60)61/h6-9,21-24,31-34H,1-5,10-20H2,(H,47,62)(H,48,74)(H,58,59)(H,60,61)(H,64,65)(H,66,67)(H,68,69)(H,70,71)(H2,49,50,72)(H2,51,52,73)/t31?,32-,33+,34-/m0/s1
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12.5n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479381
PNG
(US10894807, ID P059)
Show SMILES CN([C@@H](CCCCNC(=O)c1ccc(cc1)N=[N+]=[N-])C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C20H26N6O8/c1-26(20(34)23-14(18(30)31)9-10-16(27)28)15(19(32)33)4-2-3-11-22-17(29)12-5-7-13(8-6-12)24-25-21/h5-8,14-15H,2-4,9-11H2,1H3,(H,22,29)(H,23,34)(H,27,28)(H,30,31)(H,32,33)/t14-,15-/m0/s1
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12.5n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479428
PNG
(US10894807, ID P230)
Show SMILES OC(=O)CC[C@H](NC(=O)NC(CC1CCN(CC1)C(=O)CCCc1ccc(cc1)-n1cc(CCCF)nn1)C(O)=O)C(O)=O
Show InChI InChI=1S/C29H39FN6O8/c30-14-2-4-21-18-36(34-33-21)22-8-6-19(7-9-22)3-1-5-25(37)35-15-12-20(13-16-35)17-24(28(42)43)32-29(44)31-23(27(40)41)10-11-26(38)39/h6-9,18,20,23-24H,1-5,10-17H2,(H,38,39)(H,40,41)(H,42,43)(H2,31,32,44)/t23-,24?/m0/s1
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13n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479454
PNG
(US10894807, ID P274)
Show SMILES OC(=O)CCC(NC(=O)N[C@@H](Cc1ccc(NC(=O)N2CCN(CC2)C(=O)c2cc(NC(=O)Cn3cc(CCCF)nn3)cc(c2)C(=O)N2CCN(CC2)C(=O)Nc2ccc(C[C@H](NC(=O)NC(CCC(O)=O)C(O)=O)C(O)=O)cc2)cc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C55H65FN14O19/c56-15-1-2-37-29-70(65-64-37)30-43(71)57-38-27-33(46(76)66-16-20-68(21-17-66)54(88)58-35-7-3-31(4-8-35)24-41(50(82)83)62-52(86)60-39(48(78)79)11-13-44(72)73)26-34(28-38)47(77)67-18-22-69(23-19-67)55(89)59-36-9-5-32(6-10-36)25-42(51(84)85)63-53(87)61-40(49(80)81)12-14-45(74)75/h3-10,26-29,39-42H,1-2,11-25,30H2,(H,57,71)(H,58,88)(H,59,89)(H,72,73)(H,74,75)(H,78,79)(H,80,81)(H,82,83)(H,84,85)(H2,60,62,86)(H2,61,63,87)/t39?,40?,41-,42-/m0/s1
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13.1n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479373
PNG
(US10894807, ID P018)
Show SMILES CN([C@@H](CCCCNC(=O)OCc1ccccc1)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C21H29N3O9/c1-24(20(31)23-15(18(27)28)10-11-17(25)26)16(19(29)30)9-5-6-12-22-21(32)33-13-14-7-3-2-4-8-14/h2-4,7-8,15-16H,5-6,9-13H2,1H3,(H,22,32)(H,23,31)(H,25,26)(H,27,28)(H,29,30)/t15-,16-/m0/s1
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15.6n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50514660
PNG
(DCFPYL | Dcfpyl | US10894807, ID P002)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1ccc(F)nc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C18H23FN4O8/c19-13-6-4-10(9-21-13)15(26)20-8-2-1-3-11(16(27)28)22-18(31)23-12(17(29)30)5-7-14(24)25/h4,6,9,11-12H,1-3,5,7-8H2,(H,20,26)(H,24,25)(H,27,28)(H,29,30)(H2,22,23,31)/t11-,12-/m0/s1
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15.6n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479370
PNG
(US10894807, ID P004)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1ccnc(F)c1)C(O)=O)C(O)=O
Show InChI InChI=1S/C18H23FN4O8/c19-13-9-10(6-8-20-13)15(26)21-7-2-1-3-11(16(27)28)22-18(31)23-12(17(29)30)4-5-14(24)25/h6,8-9,11-12H,1-5,7H2,(H,21,26)(H,24,25)(H,27,28)(H,29,30)(H2,22,23,31)/t11-,12-/m0/s1
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15.6n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479420
PNG
(US10894807, ID P207)
Show SMILES OC(=O)CCC(CP(O)(=O)OC[C@@H]1CCCN1C(=O)CCCc1ccc(cc1)-n1cc(CCCF)nn1)C(O)=O
Show InChI InChI=1S/C26H36FN4O8P/c27-14-2-5-21-16-31(29-28-21)22-11-8-19(9-12-22)4-1-7-24(32)30-15-3-6-23(30)17-39-40(37,38)18-20(26(35)36)10-13-25(33)34/h8-9,11-12,16,20,23H,1-7,10,13-15,17-18H2,(H,33,34)(H,35,36)(H,37,38)/t20?,23-/m0/s1
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18.8n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479382
PNG
(US10894807, ID P065)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](Cc1ccc(NC(=O)CCCn2cc(CCCF)nn2)cc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C24H31FN6O8/c25-11-1-3-17-14-31(30-29-17)12-2-4-20(32)26-16-7-5-15(6-8-16)13-19(23(37)38)28-24(39)27-18(22(35)36)9-10-21(33)34/h5-8,14,18-19H,1-4,9-13H2,(H,26,32)(H,33,34)(H,35,36)(H,37,38)(H2,27,28,39)/t18-,19-/m0/s1
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19.7n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479423
PNG
(US10894807, ID P216)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](Cc1ccc(NC(=O)COCCOCCOCCn2cc(CCCF)nn2)cc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C28H39FN6O11/c29-9-1-2-21-17-35(34-33-21)10-11-44-12-13-45-14-15-46-18-24(36)30-20-5-3-19(4-6-20)16-23(27(41)42)32-28(43)31-22(26(39)40)7-8-25(37)38/h3-6,17,22-23H,1-2,7-16,18H2,(H,30,36)(H,37,38)(H,39,40)(H,41,42)(H2,31,32,43)/t22-,23-/m0/s1
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21.9n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479432
PNG
(US10894807, ID P240)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](Cc1ccc(Nc2nc(cs2)-c2ccc(cc2)-n2cc(CCCF)nn2)cc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C29H30FN7O7S/c30-13-1-2-20-15-37(36-35-20)21-9-5-18(6-10-21)24-16-45-29(34-24)31-19-7-3-17(4-8-19)14-23(27(42)43)33-28(44)32-22(26(40)41)11-12-25(38)39/h3-10,15-16,22-23H,1-2,11-14H2,(H,31,34)(H,38,39)(H,40,41)(H,42,43)(H2,32,33,44)/t22-,23-/m0/s1
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28n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479392
PNG
(US10894807, ID P092)
Show SMILES ON(C(CCCCNC(=O)c1ccc(cc1)-n1cc(CCCF)nn1)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C24H31FN6O9/c25-12-3-4-16-14-30(29-28-16)17-8-6-15(7-9-17)21(34)26-13-2-1-5-19(23(37)38)31(40)24(39)27-18(22(35)36)10-11-20(32)33/h6-9,14,18-19,40H,1-5,10-13H2,(H,26,34)(H,27,39)(H,32,33)(H,35,36)(H,37,38)/t18-,19?/m0/s1
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31n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479385
PNG
(US10894807, ID P071)
Show SMILES ON(C(CCCCNC(=O)OCc1ccccc1)C(O)=O)C(=S)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C20H27N3O9S/c24-16(25)10-9-14(17(26)27)22-19(33)23(31)15(18(28)29)8-4-5-11-21-20(30)32-12-13-6-2-1-3-7-13/h1-3,6-7,14-15,31H,4-5,8-12H2,(H,21,30)(H,22,33)(H,24,25)(H,26,27)(H,28,29)/t14-,15?/m0/s1
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31n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479378
PNG
(US10894807, ID P053)
Show SMILES CN([C@@H](CCCCNC(=O)c1ccc(cc1)-n1cc(CCCF)nn1)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C25H33FN6O8/c1-31(25(40)28-19(23(36)37)11-12-21(33)34)20(24(38)39)6-2-3-14-27-22(35)16-7-9-18(10-8-16)32-15-17(29-30-32)5-4-13-26/h7-10,15,19-20H,2-6,11-14H2,1H3,(H,27,35)(H,28,40)(H,33,34)(H,36,37)(H,38,39)/t19-,20-/m0/s1
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31.3n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479424
PNG
(US10894807, ID P217)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](Cc1ccc(NC(=O)Cn2cc(CCCF)nn2)cc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C22H27FN6O8/c23-9-1-2-15-11-29(28-27-15)12-18(30)24-14-5-3-13(4-6-14)10-17(21(35)36)26-22(37)25-16(20(33)34)7-8-19(31)32/h3-6,11,16-17H,1-2,7-10,12H2,(H,24,30)(H,31,32)(H,33,34)(H,35,36)(H2,25,26,37)/t16-,17-/m0/s1
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31.3n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479400
PNG
(US10894807, ID P158)
Show SMILES CC(F)C(=O)Nc1ccc(cc1)C(=O)NCCCCC(N(C)C(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C23H31FN4O9/c1-13(24)19(31)26-15-8-6-14(7-9-15)20(32)25-12-4-3-5-17(22(35)36)28(2)23(37)27-16(21(33)34)10-11-18(29)30/h6-9,13,16-17H,3-5,10-12H2,1-2H3,(H,25,32)(H,26,31)(H,27,37)(H,29,30)(H,33,34)(H,35,36)/t13?,16-,17?/m0/s1
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34.4n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479374
PNG
(US10894807, ID P019)
Show SMILES CN([C@@H](CCCCNC(=O)OCc1ccccc1)C(O)=O)C(=O)N(C)[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C22H31N3O9/c1-24(22(33)25(2)17(20(30)31)11-12-18(26)27)16(19(28)29)10-6-7-13-23-21(32)34-14-15-8-4-3-5-9-15/h3-5,8-9,16-17H,6-7,10-14H2,1-2H3,(H,23,32)(H,26,27)(H,28,29)(H,30,31)/t16-,17-/m0/s1
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37.5n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479371
PNG
(US10894807, ID P005)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)Cn1cc(CCCF)nn1)C(O)=O)C(O)=O
Show InChI InChI=1S/C19H29FN6O8/c20-8-3-4-12-10-26(25-24-12)11-15(27)21-9-2-1-5-13(17(30)31)22-19(34)23-14(18(32)33)6-7-16(28)29/h10,13-14H,1-9,11H2,(H,21,27)(H,28,29)(H,30,31)(H,32,33)(H2,22,23,34)/t13-,14-/m0/s1
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40.7n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479446
PNG
(US10894807, ID P258)
Show SMILES NCCOCCOCCOCCOCCn1cc(nn1)-c1ccc(cc1)C(=O)NCCCC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C31H47N7O12/c32-10-13-47-15-17-49-19-20-50-18-16-48-14-12-38-21-26(36-37-38)22-4-6-23(7-5-22)28(41)33-11-2-1-3-24(29(42)43)34-31(46)35-25(30(44)45)8-9-27(39)40/h4-7,21,24-25H,1-3,8-20,32H2,(H,33,41)(H,39,40)(H,42,43)(H,44,45)(H2,34,35,46)/t24-,25-/m0/s1
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41n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479418
PNG
(US10894807, ID P203)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](Cc1ccc(OCCOCCOCCn2cc(CCCF)nn2)cc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C26H36FN5O10/c27-9-1-2-19-17-32(31-30-19)10-11-40-12-13-41-14-15-42-20-5-3-18(4-6-20)16-22(25(37)38)29-26(39)28-21(24(35)36)7-8-23(33)34/h3-6,17,21-22H,1-2,7-16H2,(H,33,34)(H,35,36)(H,37,38)(H2,28,29,39)/t21-,22-/m0/s1
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41n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479368
PNG
(US10894807, ID P001)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CSCc1ccc(F)cc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C16H19FN2O7S/c17-10-3-1-9(2-4-10)7-27-8-12(15(24)25)19-16(26)18-11(14(22)23)5-6-13(20)21/h1-4,11-12H,5-8H2,(H,20,21)(H,22,23)(H,24,25)(H2,18,19,26)/t11-,12-/m0/s1
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50n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479384
PNG
(US10894807, ID P070)
Show SMILES OC(=O)CC[C@H](NC(=S)NC(CCCCNC(=O)OCc1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C20H27N3O8S/c24-16(25)10-9-15(18(28)29)23-19(32)22-14(17(26)27)8-4-5-11-21-20(30)31-12-13-6-2-1-3-7-13/h1-3,6-7,14-15H,4-5,8-12H2,(H,21,30)(H,24,25)(H,26,27)(H,28,29)(H2,22,23,32)/t14?,15-/m0/s1
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59n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479412
PNG
(US10894807, ID P195)
Show SMILES OC(=O)CC[C@H](NC(=O)NC(Cc1ccc(OCCn2cc(CCCF)nn2)cc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C22H28FN5O8/c23-9-1-2-15-13-28(27-26-15)10-11-36-16-5-3-14(4-6-16)12-18(21(33)34)25-22(35)24-17(20(31)32)7-8-19(29)30/h3-6,13,17-18H,1-2,7-12H2,(H,29,30)(H,31,32)(H,33,34)(H2,24,25,35)/t17-,18?/m0/s1
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66n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479411
PNG
(US10894807, ID P194)
Show SMILES O[C@H]1[C@H](CNC(=O)CCc2ccc(cc2)-n2cc(CCCF)nn2)O[C@@H]([C@H](O)[C@@H]1O)C(=O)NCCCC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C33H46FN7O13/c34-14-3-4-19-17-41(40-39-19)20-9-6-18(7-10-20)8-12-24(42)36-16-23-26(45)27(46)28(47)29(54-23)30(48)35-15-2-1-5-21(31(49)50)37-33(53)38-22(32(51)52)11-13-25(43)44/h6-7,9-10,17,21-23,26-29,45-47H,1-5,8,11-16H2,(H,35,48)(H,36,42)(H,43,44)(H,49,50)(H,51,52)(H2,37,38,53)/t21-,22-,23-,26-,27+,28+,29-/m0/s1
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69n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479443
PNG
(US10894807, ID P252)
Show SMILES OC(=O)CCC(NC(=O)C[C@@H](NC(=O)CCNC(=O)c1cc(cc(c1)-n1cc(CCCF)nn1)C(=O)NCCC(=O)N[C@H](CC(=O)NC(CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C37H46FN9O18/c38-9-1-2-20-17-47(46-45-20)21-13-18(32(56)39-10-7-26(48)43-24(36(62)63)15-28(50)41-22(34(58)59)3-5-30(52)53)12-19(14-21)33(57)40-11-8-27(49)44-25(37(64)65)16-29(51)42-23(35(60)61)4-6-31(54)55/h12-14,17,22-25H,1-11,15-16H2,(H,39,56)(H,40,57)(H,41,50)(H,42,51)(H,43,48)(H,44,49)(H,52,53)(H,54,55)(H,58,59)(H,60,61)(H,62,63)(H,64,65)/t22?,23?,24-,25-/m1/s1
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94n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479417
PNG
(US10894807, ID P202)
Show SMILES OC(=O)CC[C@H](NC(=O)NC(Cc1ccc(OCCn2cc(CCCF)nn2)cc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C22H28FN5O8/c23-9-1-2-15-13-28(27-26-15)10-11-36-16-5-3-14(4-6-16)12-18(21(33)34)25-22(35)24-17(20(31)32)7-8-19(29)30/h3-6,13,17-18H,1-2,7-12H2,(H,29,30)(H,31,32)(H,33,34)(H2,24,25,35)/t17-,18?/m0/s1
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94n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479394
PNG
(US10894807, ID P133)
Show SMILES CN([C@@H](CCCCNC(=O)c1ccc(F)nc1)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C19H25FN4O8/c1-24(19(32)23-12(17(28)29)6-8-15(25)26)13(18(30)31)4-2-3-9-21-16(27)11-5-7-14(20)22-10-11/h5,7,10,12-13H,2-4,6,8-9H2,1H3,(H,21,27)(H,23,32)(H,25,26)(H,28,29)(H,30,31)/t12-,13-/m0/s1
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125n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479396
PNG
(US10894807, ID P152)
Show SMILES ON([C@@H](CCC(O)=O)C(O)=O)C(=O)NCCCCCNC(=O)c1ccc(cc1)-n1cc(CCCF)nn1
Show InChI InChI=1S/C23H31FN6O7/c24-12-4-5-17-15-29(28-27-17)18-8-6-16(7-9-18)21(33)25-13-2-1-3-14-26-23(36)30(37)19(22(34)35)10-11-20(31)32/h6-9,15,19,37H,1-5,10-14H2,(H,25,33)(H,26,36)(H,31,32)(H,34,35)/t19-/m0/s1
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128n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479406
PNG
(US10894807, ID P169)
Show SMILES ON([C@@H](CCCCNC(=O)c1ccc(F)cc1)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C19H24FN3O9/c20-12-6-4-11(5-7-12)16(26)21-10-2-1-3-14(18(29)30)23(32)19(31)22-13(17(27)28)8-9-15(24)25/h4-7,13-14,32H,1-3,8-10H2,(H,21,26)(H,22,31)(H,24,25)(H,27,28)(H,29,30)/t13-,14-/m0/s1
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156n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479436
PNG
(US10894807, ID P245)
Show SMILES OC(=O)CC[C@H](NC(=O)C[C@@H](NC(=O)CCNC(=O)c1ccc(cc1)-n1cc(CCCF)nn1)C(O)=O)C(O)=O
Show InChI InChI=1S/C24H29FN6O9/c25-10-1-2-15-13-31(30-29-15)16-5-3-14(4-6-16)22(36)26-11-9-19(32)28-18(24(39)40)12-20(33)27-17(23(37)38)7-8-21(34)35/h3-6,13,17-18H,1-2,7-12H2,(H,26,36)(H,27,33)(H,28,32)(H,34,35)(H,37,38)(H,39,40)/t17-,18+/m0/s1
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156n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479410
PNG
(US10894807, ID P190)
Show SMILES OC(=O)C(Cn1ccnn1)CP(O)(O)=O
Show InChI InChI=1S/C6H10N3O5P/c10-6(11)5(4-15(12,13)14)3-9-2-1-7-8-9/h1-2,5H,3-4H2,(H,10,11)(H2,12,13,14)
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188n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479414
PNG
(US10894807, ID P199)
Show SMILES OC(=O)CC[C@H](NC(=O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(O)=O)C(O)=O
Show InChI InChI=1S/C24H24N2O9/c27-20(25-18(22(30)31)9-10-21(28)29)11-19(23(32)33)26-24(34)35-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17-19H,9-12H2,(H,25,27)(H,26,34)(H,28,29)(H,30,31)(H,32,33)/t18-,19+/m0/s1
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>188n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479398
PNG
(US10894807, ID P156)
Show SMILES CN([C@@H](CCCCNC(=O)c1ccc(F)cc1)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C20H26FN3O8/c1-24(20(32)23-14(18(28)29)9-10-16(25)26)15(19(30)31)4-2-3-11-22-17(27)12-5-7-13(21)8-6-12/h5-8,14-15H,2-4,9-11H2,1H3,(H,22,27)(H,23,32)(H,25,26)(H,28,29)(H,30,31)/t14-,15-/m0/s1
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219n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479401
PNG
(US10894807, ID P160)
Show SMILES CN([C@@H](CCCCNC(=O)c1ccc(OCCF)cc1)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C22H30FN3O9/c1-26(22(34)25-16(20(30)31)9-10-18(27)28)17(21(32)33)4-2-3-12-24-19(29)14-5-7-15(8-6-14)35-13-11-23/h5-8,16-17H,2-4,9-13H2,1H3,(H,24,29)(H,25,34)(H,27,28)(H,30,31)(H,32,33)/t16-,17-/m0/s1
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219n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479393
PNG
(US10894807, ID P103)
Show SMILES CN([C@@H](CCCCNC(=O)CCCc1ccc(cc1)-n1cc(CCCF)nn1)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C28H39FN6O8/c1-34(28(43)31-22(26(39)40)14-15-25(37)38)23(27(41)42)8-2-3-17-30-24(36)9-4-6-19-10-12-21(13-11-19)35-18-20(32-33-35)7-5-16-29/h10-13,18,22-23H,2-9,14-17H2,1H3,(H,30,36)(H,31,43)(H,37,38)(H,39,40)(H,41,42)/t22-,23-/m0/s1
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235n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479383
PNG
(US10894807, ID P069)
Show SMILES ON(C(CCCCNC(=O)OCc1ccccc1)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C20H27N3O10/c24-16(25)10-9-14(17(26)27)22-19(30)23(32)15(18(28)29)8-4-5-11-21-20(31)33-12-13-6-2-1-3-7-13/h1-3,6-7,14-15,32H,4-5,8-12H2,(H,21,31)(H,22,30)(H,24,25)(H,26,27)(H,28,29)/t14-,15?/m0/s1
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250n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479395
PNG
(US10894807, ID P148)
Show SMILES ON([C@@H](CCC(O)=O)C(O)=O)C(=O)NCCCCCNC(=O)Cn1cc(CCCF)nn1
Show InChI InChI=1S/C18H29FN6O7/c19-8-4-5-13-11-24(23-22-13)12-15(26)20-9-2-1-3-10-21-18(31)25(32)14(17(29)30)6-7-16(27)28/h11,14,32H,1-10,12H2,(H,20,26)(H,21,31)(H,27,28)(H,29,30)/t14-/m0/s1
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250n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479416
PNG
(US10894807, ID P201)
Show SMILES CC(C)(C)OC(=O)N1CCCC1COP(O)(=O)CC(CCC(O)=O)C(O)=O
Show InChI InChI=1S/C16H28NO9P/c1-16(2,3)26-15(22)17-8-4-5-12(17)9-25-27(23,24)10-11(14(20)21)6-7-13(18)19/h11-12H,4-10H2,1-3H3,(H,18,19)(H,20,21)(H,23,24)
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>300n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479386
PNG
(US10894807, ID P078)
Show SMILES CCC1C(=O)N([C@@H](CCCCNC(=O)OCc2ccccc2)C(O)=O)C(=O)N([C@@H](CCC(O)=O)C(O)=O)C1=O
Show InChI InChI=1S/C25H31N3O11/c1-2-16-20(31)27(25(38)28(21(16)32)18(23(35)36)11-12-19(29)30)17(22(33)34)10-6-7-13-26-24(37)39-14-15-8-4-3-5-9-15/h3-5,8-9,16-18H,2,6-7,10-14H2,1H3,(H,26,37)(H,29,30)(H,33,34)(H,35,36)/t16?,17-,18-/m0/s1
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>312n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479391
PNG
(US10894807, ID P090)
Show SMILES ON(CC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(=O)CCCc1ccc(cc1)-n1cc(CCCF)nn1
Show InChI InChI=1S/C22H28FN5O7/c23-12-2-4-16-13-27(26-25-16)17-8-6-15(7-9-17)3-1-5-20(30)28(35)14-19(29)24-18(22(33)34)10-11-21(31)32/h6-9,13,18,35H,1-5,10-12,14H2,(H,24,29)(H,31,32)(H,33,34)/t18-/m0/s1
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313n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479387
PNG
(US10894807, ID P079)
Show SMILES CCC1(CC)C(=O)N([C@@H](CCCCNC(=O)OCc2ccccc2)C(O)=O)C(=O)N([C@@H](CCC(O)=O)C(O)=O)C1=O
Show InChI InChI=1S/C27H35N3O11/c1-3-27(4-2)23(37)29(26(40)30(24(27)38)19(22(35)36)13-14-20(31)32)18(21(33)34)12-8-9-15-28-25(39)41-16-17-10-6-5-7-11-17/h5-7,10-11,18-19H,3-4,8-9,12-16H2,1-2H3,(H,28,39)(H,31,32)(H,33,34)(H,35,36)/t18-,19-/m0/s1
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313n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479407
PNG
(US10894807, ID P172)
Show SMILES CN([C@@H](CCCCn1cc(COCCOCCNc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)nn1)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C26H36N8O13/c1-31(26(41)28-20(24(37)38)7-8-23(35)36)21(25(39)40)4-2-3-10-32-15-17(29-30-32)16-47-13-12-46-11-9-27-19-6-5-18(33(42)43)14-22(19)34(44)45/h5-6,14-15,20-21,27H,2-4,7-13,16H2,1H3,(H,28,41)(H,35,36)(H,37,38)(H,39,40)/t20-,21-/m0/s1
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313n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479399
PNG
(US10894807, ID P157)
Show SMILES CC(F)C(=O)Nc1ccc(cc1)C(=O)NCCCCC(N(O)C(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C22H29FN4O10/c1-12(23)18(30)25-14-7-5-13(6-8-14)19(31)24-11-3-2-4-16(21(34)35)27(37)22(36)26-15(20(32)33)9-10-17(28)29/h5-8,12,15-16,37H,2-4,9-11H2,1H3,(H,24,31)(H,25,30)(H,26,36)(H,28,29)(H,32,33)(H,34,35)/t12?,15-,16?/m0/s1
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>313n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479377
PNG
(US10894807, ID P046)
Show SMILES CN([C@@H](CCCCNC(=O)CCCn1cc(CCCF)nn1)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C22H35FN6O8/c1-28(22(37)25-16(20(33)34)9-10-19(31)32)17(21(35)36)7-2-3-12-24-18(30)8-5-13-29-14-15(26-27-29)6-4-11-23/h14,16-17H,2-13H2,1H3,(H,24,30)(H,25,37)(H,31,32)(H,33,34)(H,35,36)/t16-,17-/m0/s1
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328n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479380
PNG
(US10894807, ID P055)
Show SMILES OC(=O)CC[C@H](N1C(=O)CC(=O)N([C@@H](CCCCNC(=O)OCc2ccccc2)C(O)=O)C1=O)C(O)=O
Show InChI InChI=1S/C23H27N3O11/c27-17-12-18(28)26(16(21(33)34)9-10-19(29)30)23(36)25(17)15(20(31)32)8-4-5-11-24-22(35)37-13-14-6-2-1-3-7-14/h1-3,6-7,15-16H,4-5,8-13H2,(H,24,35)(H,29,30)(H,31,32)(H,33,34)/t15-,16-/m0/s1
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344n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479404
PNG
(US10894807, ID P166)
Show SMILES ON([C@@H](CCCCNC(=O)Cn1cc(CCCF)nn1)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C19H29FN6O9/c20-8-3-4-12-10-25(24-23-12)11-15(27)21-9-2-1-5-14(18(32)33)26(35)19(34)22-13(17(30)31)6-7-16(28)29/h10,13-14,35H,1-9,11H2,(H,21,27)(H,22,34)(H,28,29)(H,30,31)(H,32,33)/t13-,14-/m0/s1
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>375n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479389
PNG
(US10894807, ID P088)
Show SMILES OC(=O)CC[C@H](N1C(=O)C(N=O)C(=O)N([C@@H](CCCCNC(=O)OCc2ccccc2)C(O)=O)C1=O)C(O)=O
Show InChI InChI=1S/C23H26N4O12/c28-16(29)10-9-15(21(34)35)27-19(31)17(25-38)18(30)26(23(27)37)14(20(32)33)8-4-5-11-24-22(36)39-12-13-6-2-1-3-7-13/h1-3,6-7,14-15,17H,4-5,8-12H2,(H,24,36)(H,28,29)(H,32,33)(H,34,35)/t14-,15-,17?/m0/s1
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>407n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479403
PNG
(US10894807, ID P164)
Show SMILES ON(C(CCCCNC(=O)c1ccc(NC(=O)c2ccc(F)nc2)cc1)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C25H28FN5O10/c26-19-10-6-15(13-28-19)22(35)29-16-7-4-14(5-8-16)21(34)27-12-2-1-3-18(24(38)39)31(41)25(40)30-17(23(36)37)9-11-20(32)33/h4-8,10,13,17-18,41H,1-3,9,11-12H2,(H,27,34)(H,29,35)(H,30,40)(H,32,33)(H,36,37)(H,38,39)/t17-,18?/m0/s1
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>407n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479390
PNG
(US10894807, ID P089)
Show SMILES OC(=O)CC[C@H](N1C(=O)C(C(=O)N([C@@H](CCCCNC(=O)OCc2ccc(cc2)[N+]([O-])=O)C(O)=O)C1=O)[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C23H25N5O15/c29-16(30)9-8-15(21(35)36)26-19(32)17(28(41)42)18(31)25(23(26)38)14(20(33)34)3-1-2-10-24-22(37)43-11-12-4-6-13(7-5-12)27(39)40/h4-7,14-15,17H,1-3,8-11H2,(H,24,37)(H,29,30)(H,33,34)(H,35,36)/t14-,15-,17?/m0/s1
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>407n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479402
PNG
(US10894807, ID P162)
Show SMILES ON([C@@H](CCC(O)=O)C(O)=O)C(=O)NCCCCCNC(=O)c1ccc(F)cc1
Show InChI InChI=1S/C18H24FN3O7/c19-13-6-4-12(5-7-13)16(25)20-10-2-1-3-11-21-18(28)22(29)14(17(26)27)8-9-15(23)24/h4-7,14,29H,1-3,8-11H2,(H,20,25)(H,21,28)(H,23,24)(H,26,27)/t14-/m0/s1
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>531n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479388
PNG
(US10894807, ID P080)
Show SMILES CN([C@@H](CCCCNC(=O)CCCCCn1cc(CCCF)nn1)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C24H39FN6O8/c1-30(24(39)27-18(22(35)36)11-12-21(33)34)19(23(37)38)9-4-5-14-26-20(32)10-3-2-6-15-31-16-17(28-29-31)8-7-13-25/h16,18-19H,2-15H2,1H3,(H,26,32)(H,27,39)(H,33,34)(H,35,36)(H,37,38)/t18-,19-/m0/s1
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625n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479405
PNG
(US10894807, ID P167)
Show SMILES ON([C@@H](CCCCNC(=O)c1ccc(OCCF)cc1)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C21H28FN3O10/c22-10-12-35-14-6-4-13(5-7-14)18(28)23-11-2-1-3-16(20(31)32)25(34)21(33)24-15(19(29)30)8-9-17(26)27/h4-7,15-16,34H,1-3,8-12H2,(H,23,28)(H,24,33)(H,26,27)(H,29,30)(H,31,32)/t15-,16-/m0/s1
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UniChem
US Patent
>657n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479409
PNG
(US10894807, ID P189)
Show SMILES OC(=O)C(Cn1cc(CCCF)nn1)CP(O)(O)=O
Show InChI InChI=1S/C9H15FN3O5P/c10-3-1-2-8-5-13(12-11-8)4-7(9(14)15)6-19(16,17)18/h5,7H,1-4,6H2,(H,14,15)(H2,16,17,18)
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US Patent
>688n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM479413
PNG
(US10894807, ID P197)
Show SMILES OC(=O)CCC(CP(O)(=O)NCCc1ccccc1)C(O)=O
Show InChI InChI=1S/C14H20NO6P/c16-13(17)7-6-12(14(18)19)10-22(20,21)15-9-8-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,16,17)(H,18,19)(H2,15,20,21)
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US Patent
>3.00E+3n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

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