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Compile Data Set for Download or QSAR

Found 12 hits with Last Name = 'dannoon' and Initial = 's'   
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))
BDBM50088185
PNG
(CHEMBL3427435)
Show SMILES OC(=O)CC[C@H](NP(O)(=O)OCCC[C@H](NC(=O)CC[C@H](NC(=O)CCCCCNC(=O)c1ccc(F)cc1)C(O)=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C28H40FN4O14P/c29-18-9-7-17(8-10-18)25(38)30-15-3-1-2-6-22(34)32-20(27(41)42)11-13-23(35)31-19(26(39)40)5-4-16-47-48(45,46)33-21(28(43)44)12-14-24(36)37/h7-10,19-21H,1-6,11-16H2,(H,30,38)(H,31,35)(H,32,34)(H,36,37)(H,39,40)(H,41,42)(H,43,44)(H2,33,45,46)/t19-,20-,21-/m0/s1
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n/an/a 400n/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Inhibition of PSMA (unknown origin) incubated for 15 mins using PABGgG substrate by HPLC method


Bioorg Med Chem Lett 25: 2536-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.047
BindingDB Entry DOI: 10.7270/Q29G5PJK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50088182
PNG
(CHEMBL3427434)
Show SMILES OC(=O)CC[C@H](NP(O)(=O)OCCC[C@H](NC(=O)CC[C@H](NC(=O)c1ccc(F)cc1)C(O)=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C22H29FN3O13P/c23-13-5-3-12(4-6-13)19(30)25-15(21(33)34)7-9-17(27)24-14(20(31)32)2-1-11-39-40(37,38)26-16(22(35)36)8-10-18(28)29/h3-6,14-16H,1-2,7-11H2,(H,24,27)(H,25,30)(H,28,29)(H,31,32)(H,33,34)(H,35,36)(H2,26,37,38)/t14-,15-,16-/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Inhibition of PSMA (unknown origin) incubated for 15 mins using PABGgG substrate by HPLC method


Bioorg Med Chem Lett 25: 2536-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.047
BindingDB Entry DOI: 10.7270/Q29G5PJK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50088192
PNG
(CHEMBL3427442)
Show SMILES OC(=O)CC[C@H](NP(O)(=O)O[C@@H]1C[C@H](N(C1)C(=O)CC[C@H](NC(=O)CCCCCNC(=O)c1ccc(F)cc1)C(O)=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C28H38FN4O14P/c29-17-7-5-16(6-8-17)25(38)30-13-3-1-2-4-22(34)31-19(26(39)40)9-11-23(35)33-15-18(14-21(33)28(43)44)47-48(45,46)32-20(27(41)42)10-12-24(36)37/h5-8,18-21H,1-4,9-15H2,(H,30,38)(H,31,34)(H,36,37)(H,39,40)(H,41,42)(H,43,44)(H2,32,45,46)/t18-,19+,20+,21+/m1/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Inhibition of PSMA (unknown origin) incubated for 15 mins using PABGgG substrate by HPLC method


Bioorg Med Chem Lett 25: 2536-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.047
BindingDB Entry DOI: 10.7270/Q29G5PJK
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50088190
PNG
(CHEMBL3427440)
Show SMILES OC(=O)CC[C@H](NP(O)(=O)O[C@@H]1C[C@H](N(C1)C(=O)CC[C@H](NC(=O)c1ccc(F)cc1)C(O)=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C22H27FN3O13P/c23-12-3-1-11(2-4-12)19(30)24-14(20(31)32)5-7-17(27)26-10-13(9-16(26)22(35)36)39-40(37,38)25-15(21(33)34)6-8-18(28)29/h1-4,13-16H,5-10H2,(H,24,30)(H,28,29)(H,31,32)(H,33,34)(H,35,36)(H2,25,37,38)/t13-,14+,15+,16+/m1/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Inhibition of PSMA (unknown origin) incubated for 15 mins using PABGgG substrate by HPLC method


Bioorg Med Chem Lett 25: 2536-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.047
BindingDB Entry DOI: 10.7270/Q29G5PJK
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50088191
PNG
(CHEMBL3427441)
Show SMILES OC(=O)CC[C@H](NP(O)(=O)O[C@H]1C[C@@H](N(C1)C(=O)CC[C@H](NC(=O)c1ccc(F)cc1)C(O)=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C22H27FN3O13P/c23-12-3-1-11(2-4-12)19(30)24-14(20(31)32)5-7-17(27)26-10-13(9-16(26)22(35)36)39-40(37,38)25-15(21(33)34)6-8-18(28)29/h1-4,13-16H,5-10H2,(H,24,30)(H,28,29)(H,31,32)(H,33,34)(H,35,36)(H2,25,37,38)/t13-,14-,15-,16+/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Inhibition of PSMA (unknown origin) incubated for 15 mins using PABGgG substrate by HPLC method


Bioorg Med Chem Lett 25: 2536-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.047
BindingDB Entry DOI: 10.7270/Q29G5PJK
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50088193
PNG
(CHEMBL3427443)
Show SMILES OC(=O)CC[C@H](NP(O)(=O)O[C@H]1C[C@@H](N(C1)C(=O)CC[C@H](NC(=O)CCCCCNC(=O)c1ccc(F)cc1)C(O)=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C28H38FN4O14P/c29-17-7-5-16(6-8-17)25(38)30-13-3-1-2-4-22(34)31-19(26(39)40)9-11-23(35)33-15-18(14-21(33)28(43)44)47-48(45,46)32-20(27(41)42)10-12-24(36)37/h5-8,18-21H,1-4,9-15H2,(H,30,38)(H,31,34)(H,36,37)(H,39,40)(H,41,42)(H,43,44)(H2,32,45,46)/t18-,19-,20-,21+/m0/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Inhibition of PSMA (unknown origin) incubated for 15 mins using PABGgG substrate by HPLC method


Bioorg Med Chem Lett 25: 2536-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.047
BindingDB Entry DOI: 10.7270/Q29G5PJK
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50088183
PNG
(CHEMBL3427433)
Show SMILES NCCCCCC(=O)N[C@@H](CCC(=O)N[C@@H](CCCOP(O)(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C21H37N4O13P/c22-11-3-1-2-6-16(26)24-14(20(32)33)7-9-17(27)23-13(19(30)31)5-4-12-38-39(36,37)25-15(21(34)35)8-10-18(28)29/h13-15H,1-12,22H2,(H,23,27)(H,24,26)(H,28,29)(H,30,31)(H,32,33)(H,34,35)(H2,25,36,37)/t13-,14-,15-/m0/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Inhibition of PSMA (unknown origin) incubated for 15 mins using PABGgG substrate by HPLC method


Bioorg Med Chem Lett 25: 2536-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.047
BindingDB Entry DOI: 10.7270/Q29G5PJK
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50088184
PNG
(CHEMBL3427432)
Show SMILES N[C@@H](CCC(=O)N[C@@H](CCCOP(O)(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C15H26N3O12P/c16-8(13(22)23)3-5-11(19)17-9(14(24)25)2-1-7-30-31(28,29)18-10(15(26)27)4-6-12(20)21/h8-10H,1-7,16H2,(H,17,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27)(H2,18,28,29)/t8-,9-,10-/m0/s1
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n/an/a 2.70E+4n/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Inhibition of PSMA (unknown origin) incubated for 15 mins using PABGgG substrate by HPLC method


Bioorg Med Chem Lett 25: 2536-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.047
BindingDB Entry DOI: 10.7270/Q29G5PJK
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50088186
PNG
(CHEMBL3427436)
Show SMILES N[C@@H](CCC(=O)N1C[C@@H](C[C@H]1C(O)=O)OP(O)(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C15H24N3O12P/c16-8(13(22)23)1-3-11(19)18-6-7(5-10(18)15(26)27)30-31(28,29)17-9(14(24)25)2-4-12(20)21/h7-10H,1-6,16H2,(H,20,21)(H,22,23)(H,24,25)(H,26,27)(H2,17,28,29)/t7-,8+,9+,10+/m1/s1
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n/an/a 6.00E+4n/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Inhibition of PSMA (unknown origin) incubated for 15 mins using PABGgG substrate by HPLC method


Bioorg Med Chem Lett 25: 2536-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.047
BindingDB Entry DOI: 10.7270/Q29G5PJK
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50088188
PNG
(CHEMBL3427438)
Show SMILES NCCCCCC(=O)N[C@@H](CCC(=O)N1C[C@@H](C[C@H]1C(O)=O)OP(O)(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C21H35N4O13P/c22-9-3-1-2-4-16(26)23-13(19(30)31)5-7-17(27)25-11-12(10-15(25)21(34)35)38-39(36,37)24-14(20(32)33)6-8-18(28)29/h12-15H,1-11,22H2,(H,23,26)(H,28,29)(H,30,31)(H,32,33)(H,34,35)(H2,24,36,37)/t12-,13+,14+,15+/m1/s1
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n/an/a 7.90E+4n/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Inhibition of PSMA (unknown origin) incubated for 15 mins using PABGgG substrate by HPLC method


Bioorg Med Chem Lett 25: 2536-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.047
BindingDB Entry DOI: 10.7270/Q29G5PJK
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50088189
PNG
(CHEMBL3427439)
Show SMILES NCCCCCC(=O)N[C@@H](CCC(=O)N1C[C@H](C[C@@H]1C(O)=O)OP(O)(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C21H35N4O13P/c22-9-3-1-2-4-16(26)23-13(19(30)31)5-7-17(27)25-11-12(10-15(25)21(34)35)38-39(36,37)24-14(20(32)33)6-8-18(28)29/h12-15H,1-11,22H2,(H,23,26)(H,28,29)(H,30,31)(H,32,33)(H,34,35)(H2,24,36,37)/t12-,13-,14-,15+/m0/s1
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n/an/a 1.12E+5n/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Inhibition of PSMA (unknown origin) incubated for 15 mins using PABGgG substrate by HPLC method


Bioorg Med Chem Lett 25: 2536-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.047
BindingDB Entry DOI: 10.7270/Q29G5PJK
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50088187
PNG
(CHEMBL3427437)
Show SMILES N[C@@H](CCC(=O)N1C[C@H](C[C@@H]1C(O)=O)OP(O)(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C15H24N3O12P/c16-8(13(22)23)1-3-11(19)18-6-7(5-10(18)15(26)27)30-31(28,29)17-9(14(24)25)2-4-12(20)21/h7-10H,1-6,16H2,(H,20,21)(H,22,23)(H,24,25)(H,26,27)(H2,17,28,29)/t7-,8-,9-,10+/m0/s1
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n/an/a 3.57E+5n/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Inhibition of PSMA (unknown origin) incubated for 15 mins using PABGgG substrate by HPLC method


Bioorg Med Chem Lett 25: 2536-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.047
BindingDB Entry DOI: 10.7270/Q29G5PJK
More data for this
Ligand-Target Pair