Found 29 hits of kd data for polymerid = 1810,50000181 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Glutamate carboxypeptidase 2
(Homo sapiens (Human)) | BDBM50265765
(5-[((S)-3-{3-[5-tert-Butoxycarbonylamino-3,7-bis-(...)Show SMILES CC(C)(C)OC(=O)NC12CC3(CCC(=O)N[C@@H](CCP(O)(=O)CC(CCC(O)=O)C(O)=O)C(O)=O)CC(CCC(=O)N[C@@H](CCP(O)(=O)CC(CCC(O)=O)C(O)=O)C(O)=O)(CC(CCC(=O)N[C@@H](CCP(O)(=O)CC(CCC(O)=O)C(O)=O)C(O)=O)(C3)C1)C2 |r,TLB:63:62:35:89.8.9,7:8:35:87.61.62,THB:61:36:9:87.62.88,61:62:35.36.89:9,88:62:35:89.8.9,88:8:35:87.61.62,37:36:9:87.62.88| Show InChI InChI=1S/C54H85N4O29P3/c1-50(2,3)87-49(80)58-54-28-51(16-10-37(59)55-34(46(74)75)13-19-88(81,82)22-31(43(68)69)4-7-40(62)63)25-52(29-54,17-11-38(60)56-35(47(76)77)14-20-89(83,84)23-32(44(70)71)5-8-41(64)65)27-53(26-51,30-54)18-12-39(61)57-36(48(78)79)15-21-90(85,86)24-33(45(72)73)6-9-42(66)67/h31-36H,4-30H2,1-3H3,(H,55,59)(H,56,60)(H,57,61)(H,58,80)(H,62,63)(H,64,65)(H,66,67)(H,68,69)(H,70,71)(H,72,73)(H,74,75)(H,76,77)(H,78,79)(H,81,82)(H,83,84)(H,85,86)/t31?,32?,33?,34-,35-,36-,51?,52?,53?,54?/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a |
Justus-Liebig-Universitat Giessen
Curated by ChEMBL
| Assay Description
Binding affinity to PSMA in human PC3 cells assessed as cell surface binding in Tris-buffered saline buffer |
J Med Chem 52: 544-50 (2009)
Article DOI: 10.1021/jm801033c
BindingDB Entry DOI: 10.7270/Q2MW2H04 |
More data for this
Ligand-Target Pair | |
Glutamate carboxypeptidase 2
(Homo sapiens (Human)) | BDBM50412695
(CHEMBL2079731)Show SMILES CC1(C)C(CC=C2CCCC(C=CC3=[N+](CCCCCC(=O)NC45CC6(CCC(=O)N[C@@H](CCP(O)(=O)CC(CCC(O)=O)C(O)=O)C(O)=O)CC(CCC(=O)N[C@@H](CCP(O)(=O)CC(CCC(O)=O)C(O)=O)C(O)=O)(CC(CCC(=O)N[C@@H](CCP(O)(=O)CC(CCC([O-])=O)C(O)=O)C(O)=O)(C6)C4)C5)c4ccccc4C3(C)C)=C2Oc2ccc(cc2)S([O-])(=O)=O)=Nc2ccccc12 |r,w:11.10,5.4,c:13,118,132,TLB:26:25:103:51.104.76,50:51:103:25.24.102,THB:50:25:103:51.104.76,76:77:24:51.104.50,76:51:24:77.103.102,52:51:103:25.24.102,52:51:24:77.103.102| Show InChI InChI=1S/C91H121N6O32P3S/c1-86(2)63-15-7-9-17-65(63)92-70(86)29-20-56-13-12-14-57(79(56)129-61-25-27-62(28-26-61)133(126,127)128)21-30-71-87(3,4)64-16-8-10-18-69(64)97(71)43-11-5-6-19-75(101)96-91-53-88(40-34-72(98)93-66(83(114)115)37-44-130(120,121)47-58(80(108)109)22-31-76(102)103)50-89(54-91,41-35-73(99)94-67(84(116)117)38-45-131(122,123)48-59(81(110)111)23-32-77(104)105)52-90(51-88,55-91)42-36-74(100)95-68(85(118)119)39-46-132(124,125)49-60(82(112)113)24-33-78(106)107/h7-10,15-18,20-21,25-28,30,58-60,66-68H,5-6,11-14,19,22-24,29,31-55H2,1-4H3,(H16-,93,94,95,96,98,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116,117,118,119,120,121,122,123,124,125,126,127,128)/p-1/t58?,59?,60?,66-,67-,68-,88?,89?,90?,91?/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a |
Justus-Liebig-Universitat Giessen
Curated by ChEMBL
| Assay Description
Binding affinity to PSMA in human LNCaP cells assessed as cell surface binding in Tris-buffered saline buffer |
J Med Chem 52: 544-50 (2009)
Article DOI: 10.1021/jm801033c
BindingDB Entry DOI: 10.7270/Q2MW2H04 |
More data for this
Ligand-Target Pair | |
Glutamate carboxypeptidase 2
(Homo sapiens (Human)) | BDBM50265765
(5-[((S)-3-{3-[5-tert-Butoxycarbonylamino-3,7-bis-(...)Show SMILES CC(C)(C)OC(=O)NC12CC3(CCC(=O)N[C@@H](CCP(O)(=O)CC(CCC(O)=O)C(O)=O)C(O)=O)CC(CCC(=O)N[C@@H](CCP(O)(=O)CC(CCC(O)=O)C(O)=O)C(O)=O)(CC(CCC(=O)N[C@@H](CCP(O)(=O)CC(CCC(O)=O)C(O)=O)C(O)=O)(C3)C1)C2 |r,TLB:63:62:35:89.8.9,7:8:35:87.61.62,THB:61:36:9:87.62.88,61:62:35.36.89:9,88:62:35:89.8.9,88:8:35:87.61.62,37:36:9:87.62.88| Show InChI InChI=1S/C54H85N4O29P3/c1-50(2,3)87-49(80)58-54-28-51(16-10-37(59)55-34(46(74)75)13-19-88(81,82)22-31(43(68)69)4-7-40(62)63)25-52(29-54,17-11-38(60)56-35(47(76)77)14-20-89(83,84)23-32(44(70)71)5-8-41(64)65)27-53(26-51,30-54)18-12-39(61)57-36(48(78)79)15-21-90(85,86)24-33(45(72)73)6-9-42(66)67/h31-36H,4-30H2,1-3H3,(H,55,59)(H,56,60)(H,57,61)(H,58,80)(H,62,63)(H,64,65)(H,66,67)(H,68,69)(H,70,71)(H,72,73)(H,74,75)(H,76,77)(H,78,79)(H,81,82)(H,83,84)(H,85,86)/t31?,32?,33?,34-,35-,36-,51?,52?,53?,54?/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a |
Justus-Liebig-Universitat Giessen
Curated by ChEMBL
| Assay Description
Binding affinity to PSMA in human PC3 cells assessed as cell surface binding in phosphate-buffered saline buffer |
J Med Chem 52: 544-50 (2009)
Article DOI: 10.1021/jm801033c
BindingDB Entry DOI: 10.7270/Q2MW2H04 |
More data for this
Ligand-Target Pair | |
Glutamate carboxypeptidase 2
(Homo sapiens (Human)) | BDBM50412695
(CHEMBL2079731)Show SMILES CC1(C)C(CC=C2CCCC(C=CC3=[N+](CCCCCC(=O)NC45CC6(CCC(=O)N[C@@H](CCP(O)(=O)CC(CCC(O)=O)C(O)=O)C(O)=O)CC(CCC(=O)N[C@@H](CCP(O)(=O)CC(CCC(O)=O)C(O)=O)C(O)=O)(CC(CCC(=O)N[C@@H](CCP(O)(=O)CC(CCC([O-])=O)C(O)=O)C(O)=O)(C6)C4)C5)c4ccccc4C3(C)C)=C2Oc2ccc(cc2)S([O-])(=O)=O)=Nc2ccccc12 |r,w:11.10,5.4,c:13,118,132,TLB:26:25:103:51.104.76,50:51:103:25.24.102,THB:50:25:103:51.104.76,76:77:24:51.104.50,76:51:24:77.103.102,52:51:103:25.24.102,52:51:24:77.103.102| Show InChI InChI=1S/C91H121N6O32P3S/c1-86(2)63-15-7-9-17-65(63)92-70(86)29-20-56-13-12-14-57(79(56)129-61-25-27-62(28-26-61)133(126,127)128)21-30-71-87(3,4)64-16-8-10-18-69(64)97(71)43-11-5-6-19-75(101)96-91-53-88(40-34-72(98)93-66(83(114)115)37-44-130(120,121)47-58(80(108)109)22-31-76(102)103)50-89(54-91,41-35-73(99)94-67(84(116)117)38-45-131(122,123)48-59(81(110)111)23-32-77(104)105)52-90(51-88,55-91)42-36-74(100)95-68(85(118)119)39-46-132(124,125)49-60(82(112)113)24-33-78(106)107/h7-10,15-18,20-21,25-28,30,58-60,66-68H,5-6,11-14,19,22-24,29,31-55H2,1-4H3,(H16-,93,94,95,96,98,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116,117,118,119,120,121,122,123,124,125,126,127,128)/p-1/t58?,59?,60?,66-,67-,68-,88?,89?,90?,91?/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a |
Justus-Liebig-Universitat Giessen
Curated by ChEMBL
| Assay Description
Binding affinity to PSMA in human LNCaP cells assessed as cell surface binding in presence of 100% calf serum |
J Med Chem 52: 544-50 (2009)
Article DOI: 10.1021/jm801033c
BindingDB Entry DOI: 10.7270/Q2MW2H04 |
More data for this
Ligand-Target Pair | |
Glutamate carboxypeptidase 2
(Homo sapiens (Human)) | BDBM50412695
(CHEMBL2079731)Show SMILES CC1(C)C(CC=C2CCCC(C=CC3=[N+](CCCCCC(=O)NC45CC6(CCC(=O)N[C@@H](CCP(O)(=O)CC(CCC(O)=O)C(O)=O)C(O)=O)CC(CCC(=O)N[C@@H](CCP(O)(=O)CC(CCC(O)=O)C(O)=O)C(O)=O)(CC(CCC(=O)N[C@@H](CCP(O)(=O)CC(CCC([O-])=O)C(O)=O)C(O)=O)(C6)C4)C5)c4ccccc4C3(C)C)=C2Oc2ccc(cc2)S([O-])(=O)=O)=Nc2ccccc12 |r,w:11.10,5.4,c:13,118,132,TLB:26:25:103:51.104.76,50:51:103:25.24.102,THB:50:25:103:51.104.76,76:77:24:51.104.50,76:51:24:77.103.102,52:51:103:25.24.102,52:51:24:77.103.102| Show InChI InChI=1S/C91H121N6O32P3S/c1-86(2)63-15-7-9-17-65(63)92-70(86)29-20-56-13-12-14-57(79(56)129-61-25-27-62(28-26-61)133(126,127)128)21-30-71-87(3,4)64-16-8-10-18-69(64)97(71)43-11-5-6-19-75(101)96-91-53-88(40-34-72(98)93-66(83(114)115)37-44-130(120,121)47-58(80(108)109)22-31-76(102)103)50-89(54-91,41-35-73(99)94-67(84(116)117)38-45-131(122,123)48-59(81(110)111)23-32-77(104)105)52-90(51-88,55-91)42-36-74(100)95-68(85(118)119)39-46-132(124,125)49-60(82(112)113)24-33-78(106)107/h7-10,15-18,20-21,25-28,30,58-60,66-68H,5-6,11-14,19,22-24,29,31-55H2,1-4H3,(H16-,93,94,95,96,98,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116,117,118,119,120,121,122,123,124,125,126,127,128)/p-1/t58?,59?,60?,66-,67-,68-,88?,89?,90?,91?/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a |
Justus-Liebig-Universitat Giessen
Curated by ChEMBL
| Assay Description
Binding affinity to PSMA in human LNCaP cells assessed as cell surface binding in phosphate-buffered saline buffer |
J Med Chem 52: 544-50 (2009)
Article DOI: 10.1021/jm801033c
BindingDB Entry DOI: 10.7270/Q2MW2H04 |
More data for this
Ligand-Target Pair | |
Glutamate carboxypeptidase 2
(Homo sapiens (Human)) | BDBM17659
((R,S)-2-phosphonomethylpentanedioic acid | 2-(phos...)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) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a |
Justus-Liebig-Universitat Giessen
Curated by ChEMBL
| Assay Description
Binding affinity to PSMA in human LNCaP cells assessed as cell surface binding in Tris-buffered saline buffer |
J Med Chem 52: 544-50 (2009)
Article DOI: 10.1021/jm801033c
BindingDB Entry DOI: 10.7270/Q2MW2H04 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Glutamate carboxypeptidase 2
(Homo sapiens (Human)) | BDBM50265769
(Boc-AdamGPI Trimer | CHEMBL507394)Show SMILES CC(C)(C)OC(=O)NCCCCCC(=O)NC12CC3(CCC(=O)N[C@@H](CCP(O)(=O)CC(CCC(O)=O)C(O)=O)C(O)=O)CC(CCC(=O)N[C@@H](CCP(O)(=O)CC(CCC(O)=O)C(O)=O)C(O)=O)(CC(CCC(=O)N[C@@H](CCP(O)(=O)CC(CCC(O)=O)C(O)=O)C(O)=O)(C3)C1)C2 |r,TLB:15:16:43:95.69.70,71:70:43:97.16.17,THB:69:44:17:95.70.96,69:70:43.44.97:17,45:44:17:95.70.96,96:70:43:97.16.17,96:16:43:95.69.70| Show InChI InChI=1S/C60H96N5O30P3/c1-56(2,3)95-55(88)61-23-6-4-5-7-45(69)65-60-33-57(20-14-42(66)62-39(52(82)83)17-24-96(89,90)27-36(49(76)77)8-11-46(70)71)30-58(34-60,21-15-43(67)63-40(53(84)85)18-25-97(91,92)28-37(50(78)79)9-12-47(72)73)32-59(31-57,35-60)22-16-44(68)64-41(54(86)87)19-26-98(93,94)29-38(51(80)81)10-13-48(74)75/h36-41H,4-35H2,1-3H3,(H,61,88)(H,62,66)(H,63,67)(H,64,68)(H,65,69)(H,70,71)(H,72,73)(H,74,75)(H,76,77)(H,78,79)(H,80,81)(H,82,83)(H,84,85)(H,86,87)(H,89,90)(H,91,92)(H,93,94)/t36?,37?,38?,39-,40-,41-,57?,58?,59?,60?/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a |
Justus-Liebig-Universitat Giessen
Curated by ChEMBL
| Assay Description
Binding affinity to PSMA in human LNCaP cells assessed as cell surface binding in Tris-buffered saline buffer |
J Med Chem 52: 544-50 (2009)
Article DOI: 10.1021/jm801033c
BindingDB Entry DOI: 10.7270/Q2MW2H04 |
More data for this
Ligand-Target Pair | |
Glutamate carboxypeptidase 2
(Homo sapiens (Human)) | BDBM50265769
(Boc-AdamGPI Trimer | CHEMBL507394)Show SMILES CC(C)(C)OC(=O)NCCCCCC(=O)NC12CC3(CCC(=O)N[C@@H](CCP(O)(=O)CC(CCC(O)=O)C(O)=O)C(O)=O)CC(CCC(=O)N[C@@H](CCP(O)(=O)CC(CCC(O)=O)C(O)=O)C(O)=O)(CC(CCC(=O)N[C@@H](CCP(O)(=O)CC(CCC(O)=O)C(O)=O)C(O)=O)(C3)C1)C2 |r,TLB:15:16:43:95.69.70,71:70:43:97.16.17,THB:69:44:17:95.70.96,69:70:43.44.97:17,45:44:17:95.70.96,96:70:43:97.16.17,96:16:43:95.69.70| Show InChI InChI=1S/C60H96N5O30P3/c1-56(2,3)95-55(88)61-23-6-4-5-7-45(69)65-60-33-57(20-14-42(66)62-39(52(82)83)17-24-96(89,90)27-36(49(76)77)8-11-46(70)71)30-58(34-60,21-15-43(67)63-40(53(84)85)18-25-97(91,92)28-37(50(78)79)9-12-47(72)73)32-59(31-57,35-60)22-16-44(68)64-41(54(86)87)19-26-98(93,94)29-38(51(80)81)10-13-48(74)75/h36-41H,4-35H2,1-3H3,(H,61,88)(H,62,66)(H,63,67)(H,64,68)(H,65,69)(H,70,71)(H,72,73)(H,74,75)(H,76,77)(H,78,79)(H,80,81)(H,82,83)(H,84,85)(H,86,87)(H,89,90)(H,91,92)(H,93,94)/t36?,37?,38?,39-,40-,41-,57?,58?,59?,60?/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a |
Justus-Liebig-Universitat Giessen
Curated by ChEMBL
| Assay Description
Binding affinity to PSMA in human LNCaP cells assessed as cell surface binding in phosphate-buffered saline buffer |
J Med Chem 52: 544-50 (2009)
Article DOI: 10.1021/jm801033c
BindingDB Entry DOI: 10.7270/Q2MW2H04 |
More data for this
Ligand-Target Pair | |
Glutamate carboxypeptidase 2
(Homo sapiens (Human)) | BDBM50412697
(CHEMBL2079727)Show SMILES CC1(C)\C(=C/C=C2\CCCC(C=CC3=[N+](CCCCS([O-])(=O)=O)c4ccc(cc4C3(C)C)S([O-])(=O)=O)=C2Oc2ccc(cc2)S([O-])(=O)=O)N(CCCCCC(=O)NCCCCCC(=O)NC23CC4(CCC(=O)N[C@@H](CCP(O)(=O)CC(CCC(O)=O)C(O)=O)C(O)=O)CC(CCC(=O)N[C@@H](CCP(O)(=O)CC(CCC(O)=O)C(O)=O)C(O)=O)(CC(CCC(=O)N[C@@H](CCP(O)(=O)CC(CCC([O-])=O)C(O)=O)C(O)=O)(C4)C2)C3)c2ccc(cc12)S([O-])(=O)=O |r,w:12.12,c:13,37,TLB:68:67:145:93.146.118,92:93:145:67.66.144,THB:94:93:66:119.145.144,94:93:145:67.66.144,118:93:66:119.145.144,118:119:66:93.146.92,92:67:145:93.146.118| Show InChI InChI=1S/C101H140N7O42P3S4/c1-96(2)72-52-70(156(144,145)146)27-29-77(72)107(79(96)31-18-63-14-13-15-64(89(63)150-68-23-25-69(26-24-68)155(141,142)143)19-32-80-97(3,4)73-53-71(157(147,148)149)28-30-78(73)108(80)47-11-12-51-154(138,139)140)46-10-6-8-16-81(109)102-45-9-5-7-17-85(113)106-101-60-98(42-36-82(110)103-74(93(126)127)39-48-151(132,133)54-65(90(120)121)20-33-86(114)115)57-99(61-101,43-37-83(111)104-75(94(128)129)40-49-152(134,135)55-66(91(122)123)21-34-87(116)117)59-100(58-98,62-101)44-38-84(112)105-76(95(130)131)41-50-153(136,137)56-67(92(124)125)22-35-88(118)119/h18-19,23-32,52-53,65-67,74-76H,5-17,20-22,33-51,54-62H2,1-4H3,(H20-,102,103,104,105,106,109,110,111,112,113,114,115,116,117,118,119,120,121,122,123,124,125,126,127,128,129,130,131,132,133,134,135,136,137,138,139,140,141,142,143,144,145,146,147,148,149)/p-4/t65?,66?,67?,74-,75-,76-,98?,99?,100?,101?/m0/s1 | PDB
MMDB
KEGG
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| CHEMBL
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PC cid
PC sid
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Similars
| Article
PubMed
| n/a | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a |
Justus-Liebig-Universitat Giessen
Curated by ChEMBL
| Assay Description
Binding affinity to PSMA in human LNCaP cells assessed as cell surface binding in phosphate-buffered saline buffer |
J Med Chem 52: 544-50 (2009)
Article DOI: 10.1021/jm801033c
BindingDB Entry DOI: 10.7270/Q2MW2H04 |
More data for this
Ligand-Target Pair | |
Glutamate carboxypeptidase 2
(Homo sapiens (Human)) | BDBM50412697
(CHEMBL2079727)Show SMILES CC1(C)\C(=C/C=C2\CCCC(C=CC3=[N+](CCCCS([O-])(=O)=O)c4ccc(cc4C3(C)C)S([O-])(=O)=O)=C2Oc2ccc(cc2)S([O-])(=O)=O)N(CCCCCC(=O)NCCCCCC(=O)NC23CC4(CCC(=O)N[C@@H](CCP(O)(=O)CC(CCC(O)=O)C(O)=O)C(O)=O)CC(CCC(=O)N[C@@H](CCP(O)(=O)CC(CCC(O)=O)C(O)=O)C(O)=O)(CC(CCC(=O)N[C@@H](CCP(O)(=O)CC(CCC([O-])=O)C(O)=O)C(O)=O)(C4)C2)C3)c2ccc(cc12)S([O-])(=O)=O |r,w:12.12,c:13,37,TLB:68:67:145:93.146.118,92:93:145:67.66.144,THB:94:93:66:119.145.144,94:93:145:67.66.144,118:93:66:119.145.144,118:119:66:93.146.92,92:67:145:93.146.118| Show InChI InChI=1S/C101H140N7O42P3S4/c1-96(2)72-52-70(156(144,145)146)27-29-77(72)107(79(96)31-18-63-14-13-15-64(89(63)150-68-23-25-69(26-24-68)155(141,142)143)19-32-80-97(3,4)73-53-71(157(147,148)149)28-30-78(73)108(80)47-11-12-51-154(138,139)140)46-10-6-8-16-81(109)102-45-9-5-7-17-85(113)106-101-60-98(42-36-82(110)103-74(93(126)127)39-48-151(132,133)54-65(90(120)121)20-33-86(114)115)57-99(61-101,43-37-83(111)104-75(94(128)129)40-49-152(134,135)55-66(91(122)123)21-34-87(116)117)59-100(58-98,62-101)44-38-84(112)105-76(95(130)131)41-50-153(136,137)56-67(92(124)125)22-35-88(118)119/h18-19,23-32,52-53,65-67,74-76H,5-17,20-22,33-51,54-62H2,1-4H3,(H20-,102,103,104,105,106,109,110,111,112,113,114,115,116,117,118,119,120,121,122,123,124,125,126,127,128,129,130,131,132,133,134,135,136,137,138,139,140,141,142,143,144,145,146,147,148,149)/p-4/t65?,66?,67?,74-,75-,76-,98?,99?,100?,101?/m0/s1 | PDB
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| n/a | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a |
Justus-Liebig-Universitat Giessen
Curated by ChEMBL
| Assay Description
Binding affinity to PSMA in human LNCaP cells assessed as cell surface binding in Tris-buffered saline buffer |
J Med Chem 52: 544-50 (2009)
Article DOI: 10.1021/jm801033c
BindingDB Entry DOI: 10.7270/Q2MW2H04 |
More data for this
Ligand-Target Pair | |
Glutamate carboxypeptidase 2
(Homo sapiens (Human)) | BDBM17659
((R,S)-2-phosphonomethylpentanedioic acid | 2-(phos...)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) | PDB
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CHEMBL
MCE
PC cid
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Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a |
Justus-Liebig-Universitat Giessen
Curated by ChEMBL
| Assay Description
Binding affinity to PSMA in human PC3 cells assessed as cell surface binding in Tris-buffered saline buffer |
J Med Chem 52: 544-50 (2009)
Article DOI: 10.1021/jm801033c
BindingDB Entry DOI: 10.7270/Q2MW2H04 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Glutamate carboxypeptidase 2
(Homo sapiens (Human)) | BDBM50265765
(5-[((S)-3-{3-[5-tert-Butoxycarbonylamino-3,7-bis-(...)Show SMILES CC(C)(C)OC(=O)NC12CC3(CCC(=O)N[C@@H](CCP(O)(=O)CC(CCC(O)=O)C(O)=O)C(O)=O)CC(CCC(=O)N[C@@H](CCP(O)(=O)CC(CCC(O)=O)C(O)=O)C(O)=O)(CC(CCC(=O)N[C@@H](CCP(O)(=O)CC(CCC(O)=O)C(O)=O)C(O)=O)(C3)C1)C2 |r,TLB:63:62:35:89.8.9,7:8:35:87.61.62,THB:61:36:9:87.62.88,61:62:35.36.89:9,88:62:35:89.8.9,88:8:35:87.61.62,37:36:9:87.62.88| Show InChI InChI=1S/C54H85N4O29P3/c1-50(2,3)87-49(80)58-54-28-51(16-10-37(59)55-34(46(74)75)13-19-88(81,82)22-31(43(68)69)4-7-40(62)63)25-52(29-54,17-11-38(60)56-35(47(76)77)14-20-89(83,84)23-32(44(70)71)5-8-41(64)65)27-53(26-51,30-54)18-12-39(61)57-36(48(78)79)15-21-90(85,86)24-33(45(72)73)6-9-42(66)67/h31-36H,4-30H2,1-3H3,(H,55,59)(H,56,60)(H,57,61)(H,58,80)(H,62,63)(H,64,65)(H,66,67)(H,68,69)(H,70,71)(H,72,73)(H,74,75)(H,76,77)(H,78,79)(H,81,82)(H,83,84)(H,85,86)/t31?,32?,33?,34-,35-,36-,51?,52?,53?,54?/m0/s1 | PDB
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| n/a | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a |
Justus-Liebig-Universitat Giessen
Curated by ChEMBL
| Assay Description
Binding affinity to PSMA in human PC3 cells assessed as cell surface binding in presence of 100% calf serum |
J Med Chem 52: 544-50 (2009)
Article DOI: 10.1021/jm801033c
BindingDB Entry DOI: 10.7270/Q2MW2H04 |
More data for this
Ligand-Target Pair | |
Glutamate carboxypeptidase 2
(Homo sapiens (Human)) | BDBM50265765
(5-[((S)-3-{3-[5-tert-Butoxycarbonylamino-3,7-bis-(...)Show SMILES CC(C)(C)OC(=O)NC12CC3(CCC(=O)N[C@@H](CCP(O)(=O)CC(CCC(O)=O)C(O)=O)C(O)=O)CC(CCC(=O)N[C@@H](CCP(O)(=O)CC(CCC(O)=O)C(O)=O)C(O)=O)(CC(CCC(=O)N[C@@H](CCP(O)(=O)CC(CCC(O)=O)C(O)=O)C(O)=O)(C3)C1)C2 |r,TLB:63:62:35:89.8.9,7:8:35:87.61.62,THB:61:36:9:87.62.88,61:62:35.36.89:9,88:62:35:89.8.9,88:8:35:87.61.62,37:36:9:87.62.88| Show InChI InChI=1S/C54H85N4O29P3/c1-50(2,3)87-49(80)58-54-28-51(16-10-37(59)55-34(46(74)75)13-19-88(81,82)22-31(43(68)69)4-7-40(62)63)25-52(29-54,17-11-38(60)56-35(47(76)77)14-20-89(83,84)23-32(44(70)71)5-8-41(64)65)27-53(26-51,30-54)18-12-39(61)57-36(48(78)79)15-21-90(85,86)24-33(45(72)73)6-9-42(66)67/h31-36H,4-30H2,1-3H3,(H,55,59)(H,56,60)(H,57,61)(H,58,80)(H,62,63)(H,64,65)(H,66,67)(H,68,69)(H,70,71)(H,72,73)(H,74,75)(H,76,77)(H,78,79)(H,81,82)(H,83,84)(H,85,86)/t31?,32?,33?,34-,35-,36-,51?,52?,53?,54?/m0/s1 | PDB
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PubMed
| n/a | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a |
Justus-Liebig-Universitat Giessen
Curated by ChEMBL
| Assay Description
Binding affinity to PSMA in human LNCaP cells assessed as cell surface binding in Tris-buffered saline buffer |
J Med Chem 52: 544-50 (2009)
Article DOI: 10.1021/jm801033c
BindingDB Entry DOI: 10.7270/Q2MW2H04 |
More data for this
Ligand-Target Pair | |
Glutamate carboxypeptidase 2
(Homo sapiens (Human)) | BDBM50265769
(Boc-AdamGPI Trimer | CHEMBL507394)Show SMILES CC(C)(C)OC(=O)NCCCCCC(=O)NC12CC3(CCC(=O)N[C@@H](CCP(O)(=O)CC(CCC(O)=O)C(O)=O)C(O)=O)CC(CCC(=O)N[C@@H](CCP(O)(=O)CC(CCC(O)=O)C(O)=O)C(O)=O)(CC(CCC(=O)N[C@@H](CCP(O)(=O)CC(CCC(O)=O)C(O)=O)C(O)=O)(C3)C1)C2 |r,TLB:15:16:43:95.69.70,71:70:43:97.16.17,THB:69:44:17:95.70.96,69:70:43.44.97:17,45:44:17:95.70.96,96:70:43:97.16.17,96:16:43:95.69.70| Show InChI InChI=1S/C60H96N5O30P3/c1-56(2,3)95-55(88)61-23-6-4-5-7-45(69)65-60-33-57(20-14-42(66)62-39(52(82)83)17-24-96(89,90)27-36(49(76)77)8-11-46(70)71)30-58(34-60,21-15-43(67)63-40(53(84)85)18-25-97(91,92)28-37(50(78)79)9-12-47(72)73)32-59(31-57,35-60)22-16-44(68)64-41(54(86)87)19-26-98(93,94)29-38(51(80)81)10-13-48(74)75/h36-41H,4-35H2,1-3H3,(H,61,88)(H,62,66)(H,63,67)(H,64,68)(H,65,69)(H,70,71)(H,72,73)(H,74,75)(H,76,77)(H,78,79)(H,80,81)(H,82,83)(H,84,85)(H,86,87)(H,89,90)(H,91,92)(H,93,94)/t36?,37?,38?,39-,40-,41-,57?,58?,59?,60?/m0/s1 | PDB
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PubMed
| n/a | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a |
Justus-Liebig-Universitat Giessen
Curated by ChEMBL
| Assay Description
Binding affinity to PSMA in human LNCaP cells assessed as cell surface binding in presence of 100% calf serum |
J Med Chem 52: 544-50 (2009)
Article DOI: 10.1021/jm801033c
BindingDB Entry DOI: 10.7270/Q2MW2H04 |
More data for this
Ligand-Target Pair | |
Glutamate carboxypeptidase 2
(Homo sapiens (Human)) | BDBM50265765
(5-[((S)-3-{3-[5-tert-Butoxycarbonylamino-3,7-bis-(...)Show SMILES CC(C)(C)OC(=O)NC12CC3(CCC(=O)N[C@@H](CCP(O)(=O)CC(CCC(O)=O)C(O)=O)C(O)=O)CC(CCC(=O)N[C@@H](CCP(O)(=O)CC(CCC(O)=O)C(O)=O)C(O)=O)(CC(CCC(=O)N[C@@H](CCP(O)(=O)CC(CCC(O)=O)C(O)=O)C(O)=O)(C3)C1)C2 |r,TLB:63:62:35:89.8.9,7:8:35:87.61.62,THB:61:36:9:87.62.88,61:62:35.36.89:9,88:62:35:89.8.9,88:8:35:87.61.62,37:36:9:87.62.88| Show InChI InChI=1S/C54H85N4O29P3/c1-50(2,3)87-49(80)58-54-28-51(16-10-37(59)55-34(46(74)75)13-19-88(81,82)22-31(43(68)69)4-7-40(62)63)25-52(29-54,17-11-38(60)56-35(47(76)77)14-20-89(83,84)23-32(44(70)71)5-8-41(64)65)27-53(26-51,30-54)18-12-39(61)57-36(48(78)79)15-21-90(85,86)24-33(45(72)73)6-9-42(66)67/h31-36H,4-30H2,1-3H3,(H,55,59)(H,56,60)(H,57,61)(H,58,80)(H,62,63)(H,64,65)(H,66,67)(H,68,69)(H,70,71)(H,72,73)(H,74,75)(H,76,77)(H,78,79)(H,81,82)(H,83,84)(H,85,86)/t31?,32?,33?,34-,35-,36-,51?,52?,53?,54?/m0/s1 | PDB
MMDB
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UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
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| Article
PubMed
| n/a | n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a |
Justus-Liebig-Universitat Giessen
Curated by ChEMBL
| Assay Description
Binding affinity to PSMA in human LNCaP cells assessed as cell surface binding in phosphate-buffered saline buffer |
J Med Chem 52: 544-50 (2009)
Article DOI: 10.1021/jm801033c
BindingDB Entry DOI: 10.7270/Q2MW2H04 |
More data for this
Ligand-Target Pair | |
Glutamate carboxypeptidase 2
(Homo sapiens (Human)) | BDBM50412696
(CHEMBL2021414)Show SMILES CC1(C)\C(=C/C=C2\CCCC(C=CC3=[N+](CCCCS([O-])(=O)=O)c4ccc(cc4C3(C)C)S([O-])(=O)=O)=C2Oc2ccc(cc2)S([O-])(=O)=O)N(CCCCCC(=O)NCCCCCC(=O)NC23CC4(CCC=O)CC(CCC(=O)N[C@@H](CCP(O)(=O)CC(CCC(O)=O)C(O)=O)C(O)=O)(CC(CCC(=O)N[C@@H](CCP(O)(=O)CC(CCC([O-])=O)C(O)=O)C(O)=O)(C4)C2)C3)c2ccc(cc12)S([O-])(=O)=O |r,w:11.10,c:13,37,TLB:64:65:72:124.98.99,100:99:72:126.65.66,THB:74:73:66:124.99.125,98:73:66:124.99.125,98:99:72.73.126:66,125:99:72:126.65.66,125:65:72:124.98.99| Show InChI InChI=1S/C91H124N6O34P2S4/c1-86(2)67-49-65(136(125,126)127)27-29-71(67)96(73(86)31-19-59-15-13-16-60(81(59)131-63-23-25-64(26-24-63)135(122,123)124)20-32-74-87(3,4)68-50-66(137(128,129)130)28-30-72(68)97(74)44-11-12-48-134(119,120)121)43-10-6-8-17-75(99)92-42-9-5-7-18-78(102)95-91-56-88(39-14-45-98)53-89(57-91,40-35-76(100)93-69(84(111)112)37-46-132(115,116)51-61(82(107)108)21-33-79(103)104)55-90(54-88,58-91)41-36-77(101)94-70(85(113)114)38-47-133(117,118)52-62(83(109)110)22-34-80(105)106/h19-20,23-32,45,49-50,61-62,69-70H,5-18,21-22,33-44,46-48,51-58H2,1-4H3,(H15-,92,93,94,95,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116,117,118,119,120,121,122,123,124,125,126,127,128,129,130)/p-4/t61?,62?,69-,70-,88?,89?,90?,91?/m0/s1 | PDB
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| Article
PubMed
| n/a | n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a |
Justus-Liebig-Universitat Giessen
Curated by ChEMBL
| Assay Description
Binding affinity to PSMA in human LNCaP cells assessed as cell surface binding in Tris-buffered saline buffer |
J Med Chem 52: 544-50 (2009)
Article DOI: 10.1021/jm801033c
BindingDB Entry DOI: 10.7270/Q2MW2H04 |
More data for this
Ligand-Target Pair | |
Glutamate carboxypeptidase 2
(Homo sapiens (Human)) | BDBM50412696
(CHEMBL2021414)Show SMILES CC1(C)\C(=C/C=C2\CCCC(C=CC3=[N+](CCCCS([O-])(=O)=O)c4ccc(cc4C3(C)C)S([O-])(=O)=O)=C2Oc2ccc(cc2)S([O-])(=O)=O)N(CCCCCC(=O)NCCCCCC(=O)NC23CC4(CCC=O)CC(CCC(=O)N[C@@H](CCP(O)(=O)CC(CCC(O)=O)C(O)=O)C(O)=O)(CC(CCC(=O)N[C@@H](CCP(O)(=O)CC(CCC([O-])=O)C(O)=O)C(O)=O)(C4)C2)C3)c2ccc(cc12)S([O-])(=O)=O |r,w:11.10,c:13,37,TLB:64:65:72:124.98.99,100:99:72:126.65.66,THB:74:73:66:124.99.125,98:73:66:124.99.125,98:99:72.73.126:66,125:99:72:126.65.66,125:65:72:124.98.99| Show InChI InChI=1S/C91H124N6O34P2S4/c1-86(2)67-49-65(136(125,126)127)27-29-71(67)96(73(86)31-19-59-15-13-16-60(81(59)131-63-23-25-64(26-24-63)135(122,123)124)20-32-74-87(3,4)68-50-66(137(128,129)130)28-30-72(68)97(74)44-11-12-48-134(119,120)121)43-10-6-8-17-75(99)92-42-9-5-7-18-78(102)95-91-56-88(39-14-45-98)53-89(57-91,40-35-76(100)93-69(84(111)112)37-46-132(115,116)51-61(82(107)108)21-33-79(103)104)55-90(54-88,58-91)41-36-77(101)94-70(85(113)114)38-47-133(117,118)52-62(83(109)110)22-34-80(105)106/h19-20,23-32,45,49-50,61-62,69-70H,5-18,21-22,33-44,46-48,51-58H2,1-4H3,(H15-,92,93,94,95,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116,117,118,119,120,121,122,123,124,125,126,127,128,129,130)/p-4/t61?,62?,69-,70-,88?,89?,90?,91?/m0/s1 | PDB
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UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a |
Justus-Liebig-Universitat Giessen
Curated by ChEMBL
| Assay Description
Binding affinity to PSMA in human LNCaP cells assessed as cell surface binding in presence of 100% calf serum |
J Med Chem 52: 544-50 (2009)
Article DOI: 10.1021/jm801033c
BindingDB Entry DOI: 10.7270/Q2MW2H04 |
More data for this
Ligand-Target Pair | |
Glutamate carboxypeptidase 2
(Homo sapiens (Human)) | BDBM50046829
(CHEMBL3309679)Show SMILES [H][C@@]12CS[C@H](CCCCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCC(=O)N(CCCC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)Cc3ccc(Br)cc3)[C@]1([H])NC(=O)N2 |r| Show InChI InChI=1S/C58H97BrN6O22S/c59-46-13-11-45(12-14-46)43-65(18-5-4-7-47(55(70)71)61-57(74)62-48(56(72)73)15-16-53(68)69)52(67)10-6-19-76-21-23-78-25-27-80-29-31-82-33-35-84-37-39-86-41-42-87-40-38-85-36-34-83-32-30-81-28-26-79-24-22-77-20-17-60-51(66)9-3-1-2-8-50-54-49(44-88-50)63-58(75)64-54/h11-14,47-50,54H,1-10,15-44H2,(H,60,66)(H,68,69)(H,70,71)(H,72,73)(H2,61,62,74)(H2,63,64,75)/t47-,48-,49+,50+,54+/m0/s1 | PDB
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PubMed
| n/a | n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant N-terminal Avi-tagged glutamate carboxypeptidase 2 extracellular domain (44 to 750 amino acids) using biotin-ta... |
Bioorg Med Chem 22: 4099-108 (2014)
Article DOI: 10.1016/j.bmc.2014.05.061
BindingDB Entry DOI: 10.7270/Q2NK3GP8 |
More data for this
Ligand-Target Pair | |
Glutamate carboxypeptidase 2
(Homo sapiens (Human)) | BDBM50412696
(CHEMBL2021414)Show SMILES CC1(C)\C(=C/C=C2\CCCC(C=CC3=[N+](CCCCS([O-])(=O)=O)c4ccc(cc4C3(C)C)S([O-])(=O)=O)=C2Oc2ccc(cc2)S([O-])(=O)=O)N(CCCCCC(=O)NCCCCCC(=O)NC23CC4(CCC=O)CC(CCC(=O)N[C@@H](CCP(O)(=O)CC(CCC(O)=O)C(O)=O)C(O)=O)(CC(CCC(=O)N[C@@H](CCP(O)(=O)CC(CCC([O-])=O)C(O)=O)C(O)=O)(C4)C2)C3)c2ccc(cc12)S([O-])(=O)=O |r,w:11.10,c:13,37,TLB:64:65:72:124.98.99,100:99:72:126.65.66,THB:74:73:66:124.99.125,98:73:66:124.99.125,98:99:72.73.126:66,125:99:72:126.65.66,125:65:72:124.98.99| Show InChI InChI=1S/C91H124N6O34P2S4/c1-86(2)67-49-65(136(125,126)127)27-29-71(67)96(73(86)31-19-59-15-13-16-60(81(59)131-63-23-25-64(26-24-63)135(122,123)124)20-32-74-87(3,4)68-50-66(137(128,129)130)28-30-72(68)97(74)44-11-12-48-134(119,120)121)43-10-6-8-17-75(99)92-42-9-5-7-18-78(102)95-91-56-88(39-14-45-98)53-89(57-91,40-35-76(100)93-69(84(111)112)37-46-132(115,116)51-61(82(107)108)21-33-79(103)104)55-90(54-88,58-91)41-36-77(101)94-70(85(113)114)38-47-133(117,118)52-62(83(109)110)22-34-80(105)106/h19-20,23-32,45,49-50,61-62,69-70H,5-18,21-22,33-44,46-48,51-58H2,1-4H3,(H15-,92,93,94,95,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116,117,118,119,120,121,122,123,124,125,126,127,128,129,130)/p-4/t61?,62?,69-,70-,88?,89?,90?,91?/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a |
Justus-Liebig-Universitat Giessen
Curated by ChEMBL
| Assay Description
Binding affinity to PSMA in human LNCaP cells assessed as cell surface binding in phosphate-buffered saline buffer |
J Med Chem 52: 544-50 (2009)
Article DOI: 10.1021/jm801033c
BindingDB Entry DOI: 10.7270/Q2MW2H04 |
More data for this
Ligand-Target Pair | |
Glutamate carboxypeptidase 2
(Homo sapiens (Human)) | BDBM50265768
(2-({[(3S)-3-{3-[3-(6-{[(tert-butoxy)carbonyl]amino...)Show SMILES CC(C)(C)OC(=O)NCCCCCC(=O)NC12CC3(CCC=O)CC(CCC(=O)N[C@@H](CCP(O)(=O)CC(CCC(O)=O)C(O)=O)C(O)=O)(CC(CCC(=O)N[C@@H](CCP(O)(=O)CC(CCC(O)=O)C(O)=O)C(O)=O)(C3)C1)C2 |r,TLB:15:16:23:75.49.50,51:50:23:77.16.17,THB:25:24:17:75.50.76,49:24:17:75.50.76,49:50:23.24.77:17,76:50:23:77.16.17,76:16:23:75.49.50| Show InChI InChI=1S/C50H80N4O22P2/c1-46(2,3)76-45(71)51-20-6-4-5-8-38(58)54-50-29-47(17-7-21-55)26-48(30-50,18-13-36(56)52-34(43(67)68)15-22-77(72,73)24-32(41(63)64)9-11-39(59)60)28-49(27-47,31-50)19-14-37(57)53-35(44(69)70)16-23-78(74,75)25-33(42(65)66)10-12-40(61)62/h21,32-35H,4-20,22-31H2,1-3H3,(H,51,71)(H,52,56)(H,53,57)(H,54,58)(H,59,60)(H,61,62)(H,63,64)(H,65,66)(H,67,68)(H,69,70)(H,72,73)(H,74,75)/t32?,33?,34-,35-,47?,48?,49?,50?/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
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GoogleScholar
AffyNet
| CHEMBL
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PC sid
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| Article
PubMed
| n/a | n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a |
Justus-Liebig-Universitat Giessen
Curated by ChEMBL
| Assay Description
Binding affinity to PSMA in human LNCaP cells assessed as cell surface binding in Tris-buffered saline buffer |
J Med Chem 52: 544-50 (2009)
Article DOI: 10.1021/jm801033c
BindingDB Entry DOI: 10.7270/Q2MW2H04 |
More data for this
Ligand-Target Pair | |
Glutamate carboxypeptidase 2
(Homo sapiens (Human)) | BDBM50412699
(CHEMBL2079726)Show SMILES CC1(C)\C(=C/C=C2\CCCC(C=CC3=[N+](CCCCS([O-])(=O)=O)c4ccc(cc4C3(C)C)S([O-])(=O)=O)=C2Oc2ccc(cc2)S([O-])(=O)=O)N(CCCCCC(=O)N[C@@H](CCP(O)(=O)CC(CCC([O-])=O)C(O)=O)C(O)=O)c2ccc(cc12)S([O-])(=O)=O |r,w:12.12,c:13,37| Show InChI InChI=1S/C56H70N3O22PS4/c1-55(2)43-33-41(85(75,76)77)21-23-46(43)58(29-7-5-6-13-50(60)57-45(54(65)66)28-31-82(67,68)35-38(53(63)64)16-27-51(61)62)48(55)25-14-36-11-10-12-37(52(36)81-39-17-19-40(20-18-39)84(72,73)74)15-26-49-56(3,4)44-34-42(86(78,79)80)22-24-47(44)59(49)30-8-9-32-83(69,70)71/h14-15,17-26,33-34,38,45H,5-13,16,27-32,35H2,1-4H3,(H8-,57,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80)/p-4/t38?,45-/m0/s1 | PDB
MMDB
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| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a |
Justus-Liebig-Universitat Giessen
Curated by ChEMBL
| Assay Description
Binding affinity to PSMA in human LNCaP cells assessed as cell surface binding in Tris-buffered saline buffer |
J Med Chem 52: 544-50 (2009)
Article DOI: 10.1021/jm801033c
BindingDB Entry DOI: 10.7270/Q2MW2H04 |
More data for this
Ligand-Target Pair | |
Glutamate carboxypeptidase 2
(Homo sapiens (Human)) | BDBM50265768
(2-({[(3S)-3-{3-[3-(6-{[(tert-butoxy)carbonyl]amino...)Show SMILES CC(C)(C)OC(=O)NCCCCCC(=O)NC12CC3(CCC=O)CC(CCC(=O)N[C@@H](CCP(O)(=O)CC(CCC(O)=O)C(O)=O)C(O)=O)(CC(CCC(=O)N[C@@H](CCP(O)(=O)CC(CCC(O)=O)C(O)=O)C(O)=O)(C3)C1)C2 |r,TLB:15:16:23:75.49.50,51:50:23:77.16.17,THB:25:24:17:75.50.76,49:24:17:75.50.76,49:50:23.24.77:17,76:50:23:77.16.17,76:16:23:75.49.50| Show InChI InChI=1S/C50H80N4O22P2/c1-46(2,3)76-45(71)51-20-6-4-5-8-38(58)54-50-29-47(17-7-21-55)26-48(30-50,18-13-36(56)52-34(43(67)68)15-22-77(72,73)24-32(41(63)64)9-11-39(59)60)28-49(27-47,31-50)19-14-37(57)53-35(44(69)70)16-23-78(74,75)25-33(42(65)66)10-12-40(61)62/h21,32-35H,4-20,22-31H2,1-3H3,(H,51,71)(H,52,56)(H,53,57)(H,54,58)(H,59,60)(H,61,62)(H,63,64)(H,65,66)(H,67,68)(H,69,70)(H,72,73)(H,74,75)/t32?,33?,34-,35-,47?,48?,49?,50?/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a |
Justus-Liebig-Universitat Giessen
Curated by ChEMBL
| Assay Description
Binding affinity to PSMA in human LNCaP cells assessed as cell surface binding in phosphate-buffered saline buffer |
J Med Chem 52: 544-50 (2009)
Article DOI: 10.1021/jm801033c
BindingDB Entry DOI: 10.7270/Q2MW2H04 |
More data for this
Ligand-Target Pair | |
Glutamate carboxypeptidase 2
(Homo sapiens (Human)) | BDBM50265768
(2-({[(3S)-3-{3-[3-(6-{[(tert-butoxy)carbonyl]amino...)Show SMILES CC(C)(C)OC(=O)NCCCCCC(=O)NC12CC3(CCC=O)CC(CCC(=O)N[C@@H](CCP(O)(=O)CC(CCC(O)=O)C(O)=O)C(O)=O)(CC(CCC(=O)N[C@@H](CCP(O)(=O)CC(CCC(O)=O)C(O)=O)C(O)=O)(C3)C1)C2 |r,TLB:15:16:23:75.49.50,51:50:23:77.16.17,THB:25:24:17:75.50.76,49:24:17:75.50.76,49:50:23.24.77:17,76:50:23:77.16.17,76:16:23:75.49.50| Show InChI InChI=1S/C50H80N4O22P2/c1-46(2,3)76-45(71)51-20-6-4-5-8-38(58)54-50-29-47(17-7-21-55)26-48(30-50,18-13-36(56)52-34(43(67)68)15-22-77(72,73)24-32(41(63)64)9-11-39(59)60)28-49(27-47,31-50)19-14-37(57)53-35(44(69)70)16-23-78(74,75)25-33(42(65)66)10-12-40(61)62/h21,32-35H,4-20,22-31H2,1-3H3,(H,51,71)(H,52,56)(H,53,57)(H,54,58)(H,59,60)(H,61,62)(H,63,64)(H,65,66)(H,67,68)(H,69,70)(H,72,73)(H,74,75)/t32?,33?,34-,35-,47?,48?,49?,50?/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a |
Justus-Liebig-Universitat Giessen
Curated by ChEMBL
| Assay Description
Binding affinity to PSMA in human LNCaP cells assessed as cell surface binding in presence of 100% calf serum |
J Med Chem 52: 544-50 (2009)
Article DOI: 10.1021/jm801033c
BindingDB Entry DOI: 10.7270/Q2MW2H04 |
More data for this
Ligand-Target Pair | |
Glutamate carboxypeptidase 2
(Homo sapiens (Human)) | BDBM50412698
(CHEMBL2079722)Show SMILES CC1(C)\C(=C/C=C2\CCCC(C=CC3=[N+](CCCCS([O-])(=O)=O)c4ccc(cc4C3(C)C)S([O-])(=O)=O)=C2Oc2ccc(cc2)S([O-])(=O)=O)N(CCCCCC(=O)NCCCCCC(=O)NC23CC4(CCC=O)CC(CCC=O)(CC(CCC(=O)N[C@@H](CCP(O)(=O)CC(CCC([O-])=O)C(O)=O)C(O)=O)(C4)C2)C3)c2ccc(cc12)S([O-])(=O)=O |r,w:12.12,c:13,37,TLB:68:67:105:73.106.78,68:67:106:79.105.78,104:79:106:67.66.72,104:67:106:79.105.78,72:73:105:67.66.104,THB:74:73:105:67.66.104,72:67:105:73.106.78| Show InChI InChI=1S/C81H108N5O26PS4/c1-76(2)62-46-60(116(106,107)108)27-29-65(62)85(67(76)31-20-55-16-13-17-56(73(55)112-58-23-25-59(26-24-58)115(103,104)105)21-32-68-77(3,4)63-47-61(117(109,110)111)28-30-66(63)86(68)41-11-12-45-114(100,101)102)40-10-6-8-18-69(89)82-39-9-5-7-19-71(91)84-81-52-78(36-14-42-87)49-79(53-81,37-15-43-88)51-80(50-78,54-81)38-34-70(90)83-64(75(96)97)35-44-113(98,99)48-57(74(94)95)22-33-72(92)93/h20-21,23-32,42-43,46-47,57,64H,5-19,22,33-41,44-45,48-54H2,1-4H3,(H10-,82,83,84,89,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,110,111)/p-4/t57?,64-,78?,79?,80?,81?/m0/s1 | PDB
MMDB
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | n/a | 5.40 | n/a | n/a | n/a | n/a | n/a |
Justus-Liebig-Universitat Giessen
Curated by ChEMBL
| Assay Description
Binding affinity to PSMA in human LNCaP cells assessed as cell surface binding in Tris-buffered saline buffer |
J Med Chem 52: 544-50 (2009)
Article DOI: 10.1021/jm801033c
BindingDB Entry DOI: 10.7270/Q2MW2H04 |
More data for this
Ligand-Target Pair | |
Glutamate carboxypeptidase 2
(Homo sapiens (Human)) | BDBM50441241
(CHEMBL2431333 | CHEMBL2431336)Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CSC1CC(=O)N(CCCC[C@H](NC(=O)CNC(=O)c2cccc(I)c2)C(O)=O)C1=O)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C28H34IN5O13S/c29-15-5-3-4-14(10-15)23(39)30-12-20(35)31-16(25(41)42)6-1-2-9-34-21(36)11-19(24(34)40)48-13-18(27(45)46)33-28(47)32-17(26(43)44)7-8-22(37)38/h3-5,10,16-19H,1-2,6-9,11-13H2,(H,30,39)(H,31,35)(H,37,38)(H,41,42)(H,43,44)(H,45,46)(H2,32,33,47)/t16-,17-,18-,19?/m0/s1 | PDB
MMDB
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UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | n/a | 7.80 | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Binding affinity to PSMA in human LNCaP cells after 1 hr by gamma counting |
J Med Chem 56: 7890-901 (2013)
Article DOI: 10.1021/jm400895s
BindingDB Entry DOI: 10.7270/Q21G0NPK |
More data for this
Ligand-Target Pair | |
Glutamate carboxypeptidase 2
(Homo sapiens (Human)) | BDBM50265763
(2-((((S)-3-amino-3-carboxypropyl)(hydroxy)phosphor...)Show SMILES N[C@@H](CCP(O)(=O)CC(CCC(O)=O)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C10H18NO8P/c11-7(10(16)17)3-4-20(18,19)5-6(9(14)15)1-2-8(12)13/h6-7H,1-5,11H2,(H,12,13)(H,14,15)(H,16,17)(H,18,19)/t6?,7-/m0/s1 | PDB
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UniProtKB/SwissProt
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | n/a | 10.5 | n/a | n/a | n/a | n/a | n/a |
Justus-Liebig-Universitat Giessen
Curated by ChEMBL
| Assay Description
Binding affinity to PSMA in human LNCaP cells assessed as cell surface binding in Tris-buffered saline buffer |
J Med Chem 52: 544-50 (2009)
Article DOI: 10.1021/jm801033c
BindingDB Entry DOI: 10.7270/Q2MW2H04 |
More data for this
Ligand-Target Pair | |
Glutamate carboxypeptidase 2
(Homo sapiens (Human)) | BDBM50265767
(2-[((S)-3-{3-[5-(6-tert-Butoxycarbonylamino-hexano...)Show SMILES CC(C)(C)OC(=O)NCCCCCC(=O)NC12CC3(CCC=O)CC(CCC=O)(CC(CCC(=O)N[C@@H](CCP(O)(=O)CC(CCC(O)=O)C(O)=O)C(O)=O)(C3)C1)C2 |r,TLB:15:16:23:55.29.30,31:30:23:57.16.17,THB:25:24:17:55.30.56,29:24:17:55.30.56,29:30:23.24.57:17,56:30:23:57.16.17,56:16:23:55.29.30| Show InChI InChI=1S/C40H64N3O14P/c1-36(2,3)57-35(54)41-17-6-4-5-9-31(47)43-40-25-37(14-7-18-44)22-38(26-40,15-8-19-45)24-39(23-37,27-40)16-12-30(46)42-29(34(52)53)13-20-58(55,56)21-28(33(50)51)10-11-32(48)49/h18-19,28-29H,4-17,20-27H2,1-3H3,(H,41,54)(H,42,46)(H,43,47)(H,48,49)(H,50,51)(H,52,53)(H,55,56)/t28?,29-,37?,38?,39?,40?/m0/s1 | PDB
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PubMed
| n/a | n/a | n/a | 16.4 | n/a | n/a | n/a | n/a | n/a |
Justus-Liebig-Universitat Giessen
Curated by ChEMBL
| Assay Description
Binding affinity to PSMA in human LNCaP cells assessed as cell surface binding in Tris-buffered saline buffer |
J Med Chem 52: 544-50 (2009)
Article DOI: 10.1021/jm801033c
BindingDB Entry DOI: 10.7270/Q2MW2H04 |
More data for this
Ligand-Target Pair | |
Glutamate carboxypeptidase 2
(Homo sapiens (Human)) | BDBM50265377
((S)-2-(3-((S)-1-Carboxy-5-(4-iodobenzylamino)penty...)Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNCc1ccc(I)cc1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C19H26IN3O7/c20-13-6-4-12(5-7-13)11-21-10-2-1-3-14(17(26)27)22-19(30)23-15(18(28)29)8-9-16(24)25/h4-7,14-15,21H,1-3,8-11H2,(H,24,25)(H,26,27)(H,28,29)(H2,22,23,30)/t14-,15-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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Similars
| Article
PubMed
| n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Binding affinity to PSMA in human LNCaP cells after 1 hr by gamma counting |
J Med Chem 56: 7890-901 (2013)
Article DOI: 10.1021/jm400895s
BindingDB Entry DOI: 10.7270/Q21G0NPK |
More data for this
Ligand-Target Pair | |
Glutamate carboxypeptidase 2
(Homo sapiens (Human)) | BDBM50441243
(CHEMBL2431334)Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](Cc1ccc(O)c(I)c1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C15H17IN2O8/c16-8-5-7(1-3-11(8)19)6-10(14(24)25)18-15(26)17-9(13(22)23)2-4-12(20)21/h1,3,5,9-10,19H,2,4,6H2,(H,20,21)(H,22,23)(H,24,25)(H2,17,18,26)/t9-,10-/m0/s1 | PDB
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| CHEMBL
PC cid
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| PDB
Article
PubMed
| n/a | n/a | n/a | 143 | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Binding affinity to PSMA in human LNCaP cells after 1 hr by gamma counting |
J Med Chem 56: 7890-901 (2013)
Article DOI: 10.1021/jm400895s
BindingDB Entry DOI: 10.7270/Q21G0NPK |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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