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Articleid 50029951

Compile data set for download or QSAR
Found 8 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Glutamate carboxypeptidase 2


(Homo sapiens (Human))		BDBM50099216
PNG
((2S,3S)-1-[2-(3-Benzyloxycarbonyl-phenyl)-acetyl]-...)
Show SMILES Oc1ccc(C[C@H]2[C@H](N(C(=O)Cc3cccc(c3)C(=O)OCc3ccccc3)C2=O)C(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C34H29NO7/c36-28-16-14-23(15-17-28)19-29-31(34(40)42-22-25-10-5-2-6-11-25)35(32(29)38)30(37)20-26-12-7-13-27(18-26)33(39)41-21-24-8-3-1-4-9-24/h1-18,29,31,36H,19-22H2/t29-,31-/m0/s1
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n/an/a 226n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for inhibition of 50% of the cleavage of para-nitroanilide from MeO-Suc-Arg-Pro-Tyr-pNA.HCl by Prostate specific antigen PSA

Bioorg Med Chem Lett 7: 1689-1694 (1997)


Article DOI: 10.1016/S0960-894X(97)00285-0
BindingDB Entry DOI: 10.7270/Q2GF0TGN
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))		BDBM50099216
PNG
((2S,3S)-1-[2-(3-Benzyloxycarbonyl-phenyl)-acetyl]-...)
Show SMILES Oc1ccc(C[C@H]2[C@H](N(C(=O)Cc3cccc(c3)C(=O)OCc3ccccc3)C2=O)C(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C34H29NO7/c36-28-16-14-23(15-17-28)19-29-31(34(40)42-22-25-10-5-2-6-11-25)35(32(29)38)30(37)20-26-12-7-13-27(18-26)33(39)41-21-24-8-3-1-4-9-24/h1-18,29,31,36H,19-22H2/t29-,31-/m0/s1
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n/an/a 226n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for inhibition of 50% of the cleavage of para-nitroanilide from MeO-Suc-Arg-Pro-Tyr-pNA.HCl by Prostate specific antigen PSA

Bioorg Med Chem Lett 7: 1689-1694 (1997)


Article DOI: 10.1016/S0960-894X(97)00285-0
BindingDB Entry DOI: 10.7270/Q2GF0TGN
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))		BDBM50289630
PNG
((2S,3S)-3-Benzyl-1-[2-(3-carboxy-phenyl)-acetyl]-4...)
Show SMILES NCc1ccc(COC(=O)[C@@H]2[C@H](Cc3ccccc3)C(=O)N2C(=O)Cc2cccc(c2)C(O)=O)cc1
Show InChI InChI=1S/C28H26N2O6/c29-16-19-9-11-20(12-10-19)17-36-28(35)25-23(14-18-5-2-1-3-6-18)26(32)30(25)24(31)15-21-7-4-8-22(13-21)27(33)34/h1-13,23,25H,14-17,29H2,(H,33,34)/t23-,25-/m0/s1
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n/an/a 1.34E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for inhibition of 50% of the cleavage of para-nitroanilide from MeO-Suc-Arg-Pro-Tyr-pNA.HCl by Prostate specific antigen PSA

Bioorg Med Chem Lett 7: 1689-1694 (1997)


Article DOI: 10.1016/S0960-894X(97)00285-0
BindingDB Entry DOI: 10.7270/Q2GF0TGN
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))		BDBM50099218
PNG
((2S,3S)-3-Benzyl-1-[2-(3-benzyloxycarbonyl-phenyl)...)
Show SMILES O=C(Cc1cccc(c1)C(=O)OCc1ccccc1)N1[C@@H]([C@H](Cc2ccccc2)C1=O)C(=O)OCc1ccccc1
Show InChI InChI=1S/C34H29NO6/c36-30(21-27-17-10-18-28(19-27)33(38)40-22-25-13-6-2-7-14-25)35-31(34(39)41-23-26-15-8-3-9-16-26)29(32(35)37)20-24-11-4-1-5-12-24/h1-19,29,31H,20-23H2/t29-,31-/m0/s1
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n/an/a 1.43E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for inhibition of 50% of the cleavage of para-nitroanilide from MeO-Suc-Arg-Pro-Tyr-pNA.HCl by Prostate specific antigen PSA

Bioorg Med Chem Lett 7: 1689-1694 (1997)


Article DOI: 10.1016/S0960-894X(97)00285-0
BindingDB Entry DOI: 10.7270/Q2GF0TGN
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))		BDBM50099221
PNG
((2S,3S)-1-[2-(3-Benzyloxycarbonyl-phenyl)-acetyl]-...)
Show SMILES OC(=O)c1ccc(COC(=O)[C@@H]2[C@H](Cc3ccc(O)cc3)C(=O)N2C(=O)Cc2cccc(c2)C(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C35H29NO9/c37-28-15-11-22(12-16-28)18-29-31(35(43)45-21-24-9-13-26(14-10-24)33(40)41)36(32(29)39)30(38)19-25-7-4-8-27(17-25)34(42)44-20-23-5-2-1-3-6-23/h1-17,29,31,37H,18-21H2,(H,40,41)/t29-,31-/m0/s1
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n/an/a 3.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for inhibition of 50% of the cleavage of para-nitroanilide from MeO-Suc-Arg-Pro-Tyr-pNA.HCl by Prostate specific antigen PSA

Bioorg Med Chem Lett 7: 1689-1694 (1997)


Article DOI: 10.1016/S0960-894X(97)00285-0
BindingDB Entry DOI: 10.7270/Q2GF0TGN
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))		BDBM50099213
PNG
((2S,3S)-3-Benzyl-1-{2-[3-(4-carboxy-benzyloxycarbo...)
Show SMILES OC(=O)c1ccc(COC(=O)[C@@H]2[C@H](Cc3ccccc3)C(=O)N2C(=O)Cc2cccc(c2)C(=O)OCc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C36H29NO10/c38-30(19-25-7-4-8-28(17-25)35(44)46-20-23-9-13-26(14-10-23)33(40)41)37-31(29(32(37)39)18-22-5-2-1-3-6-22)36(45)47-21-24-11-15-27(16-12-24)34(42)43/h1-17,29,31H,18-21H2,(H,40,41)(H,42,43)/t29-,31-/m0/s1
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n/an/a 5.84E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for inhibition of 50% of the cleavage of para-nitroanilide from MeO-Suc-Arg-Pro-Tyr-pNA.HCl by Prostate specific antigen PSA

Bioorg Med Chem Lett 7: 1689-1694 (1997)


Article DOI: 10.1016/S0960-894X(97)00285-0
BindingDB Entry DOI: 10.7270/Q2GF0TGN
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))		BDBM50099205
PNG
((2S,3S)-3-Benzyl-1-[2-(3-benzyloxycarbonyl-phenyl)...)
Show SMILES OC(=O)c1ccc(COC(=O)[C@@H]2[C@H](Cc3ccccc3)C(=O)N2C(=O)Cc2cccc(c2)C(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C35H29NO8/c37-30(20-26-12-7-13-28(18-26)34(41)43-21-24-10-5-2-6-11-24)36-31(29(32(36)38)19-23-8-3-1-4-9-23)35(42)44-22-25-14-16-27(17-15-25)33(39)40/h1-18,29,31H,19-22H2,(H,39,40)/t29-,31-/m0/s1
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n/an/a 8.98E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for inhibition of 50% of the cleavage of para-nitroanilide from MeO-Suc-Arg-Pro-Tyr-pNA.HCl by Prostate specific antigen PSA

Bioorg Med Chem Lett 7: 1689-1694 (1997)


Article DOI: 10.1016/S0960-894X(97)00285-0
BindingDB Entry DOI: 10.7270/Q2GF0TGN
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))		BDBM50099208
PNG
((2S,3S)-3-Benzyl-1-[2-(3-carboxy-phenyl)-acetyl]-4...)
Show SMILES OC(=O)c1ccc(COC(=O)[C@@H]2[C@H](Cc3ccccc3)C(=O)N2C(=O)Cc2cccc(c2)C(O)=O)cc1
Show InChI InChI=1S/C28H23NO8/c30-23(15-19-7-4-8-21(13-19)27(34)35)29-24(22(25(29)31)14-17-5-2-1-3-6-17)28(36)37-16-18-9-11-20(12-10-18)26(32)33/h1-13,22,24H,14-16H2,(H,32,33)(H,34,35)/t22-,24-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for inhibition of 50% of the cleavage of para-nitroanilide from MeO-Suc-Arg-Pro-Tyr-pNA.HCl by Prostate specific antigen PSA

Bioorg Med Chem Lett 7: 1689-1694 (1997)


Article DOI: 10.1016/S0960-894X(97)00285-0
BindingDB Entry DOI: 10.7270/Q2GF0TGN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%