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Compile Data Set for Download or QSAR

Found 808 hits with Last Name = 'wang' and Initial = 'e'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glutamate carboxypeptidase 2


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2SN0D25
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2SN0D25
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2SN0D25
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2SN0D25
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2SN0D25
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(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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0.200n/an/an/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against glutamate carboxypeptidase II (GCP II) using N-acetyl-L-aspartyl-[3H]-L-glutamate as a substrate


J Med Chem 46: 1989-96 (2003)


Article DOI: 10.1021/jm020515w
BindingDB Entry DOI: 10.7270/Q2SQ8ZRG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate carboxypeptidase 2


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2SN0D25
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50271820
PNG
(1-(2-iodophenyl)-N-methyl-N-(3-fluoropropyl)-3-iso...)
Show SMILES CN(CCCF)C(=O)c1cc2ccccc2c(n1)-c1ccccc1I
Show InChI InChI=1S/C20H18FIN2O/c1-24(12-6-11-21)20(25)18-13-14-7-2-3-8-15(14)19(23-18)16-9-4-5-10-17(16)22/h2-5,7-10,13H,6,11-12H2,1H3
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0.260n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from PBR in rat kidney mitochondrial membrane


Bioorg Med Chem 16: 6145-55 (2008)


Article DOI: 10.1016/j.bmc.2008.04.046
BindingDB Entry DOI: 10.7270/Q26Q1Z4G
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2SN0D25
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2SN0D25
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2SN0D25
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM479429
PNG
(US10894807, ID P235)
Show SMILES OC(=O)CC[C@H](NC(=O)NCCCCCNc1nc(cs1)-c1ccc2OCOc2c1)C(O)=O |r|
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)


BindingDB Entry DOI: 10.7270/Q2SN0D25
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2SN0D25
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2SN0D25
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2SN0D25
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2SN0D25
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2SN0D25
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2SN0D25
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2SN0D25
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2SN0D25
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(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 |r|
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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)


BindingDB Entry DOI: 10.7270/Q2SN0D25
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2SN0D25
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2SN0D25
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2SN0D25
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2SN0D25
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2SN0D25
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2SN0D25
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(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 |r|
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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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)


BindingDB Entry DOI: 10.7270/Q2SN0D25
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2SN0D25
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(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 |r|
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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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)


BindingDB Entry DOI: 10.7270/Q2SN0D25
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2SN0D25
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2SN0D25
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50271821
PNG
(1-(3-Iodophenyl)-N-methyl-N-(3-fluoropropyl)-3-iso...)
Show SMILES CN(CCCF)C(=O)c1cc2ccccc2c(n1)-c1cccc(I)c1
Show InChI InChI=1S/C20H18FIN2O/c1-24(11-5-10-21)20(25)18-13-14-6-2-3-9-17(14)19(23-18)15-7-4-8-16(22)12-15/h2-4,6-9,12-13H,5,10-11H2,1H3
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1.30n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from PBR in rat kidney mitochondrial membrane


Bioorg Med Chem 16: 6145-55 (2008)


Article DOI: 10.1016/j.bmc.2008.04.046
BindingDB Entry DOI: 10.7270/Q26Q1Z4G
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2SN0D25
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2SN0D25
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2SN0D25
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2SN0D25
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2SN0D25
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2SN0D25
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2SN0D25
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2SN0D25
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2SN0D25
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2SN0D25
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2SN0D25
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(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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US Patent
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)


BindingDB Entry DOI: 10.7270/Q2SN0D25
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate carboxypeptidase 2


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2SN0D25
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2SN0D25
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2SN0D25
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2SN0D25
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2SN0D25
More data for this
Ligand-Target Pair
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