Compile Data Set for Download or QSAR

Found 42 hits with Last Name = 'herman' and Initial = 'r'   

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
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50329257 (2-Hexadecynoic acid | CHEMBL1269411) Show SMILES CCCCCCCCCCCCCCC#CC(O)=O Show InChI InChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-14H2,1H3,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of London Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis inhA				Bioorg Med Chem 18: 7475-85 (2010) Article DOI: 10.1016/j.bmc.2010.08.055 BindingDB Entry DOI: 10.7270/Q25Q4WB5
					More data for this Ligand-Target Pair
Enoyl-ACP reductase (Plasmodium falciparum)	BDBM50329257 (2-Hexadecynoic acid | CHEMBL1269411) Show SMILES CCCCCCCCCCCCCCC#CC(O)=O Show InChI InChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-14H2,1H3,(H,18,19)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.58E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of London Curated by ChEMBL					Assay Description Non-competitive inhibition of Plasmodium falciparum FabI using NADH as cofactor by Michaelis-Menten steady state analysis				Bioorg Med Chem 18: 7475-85 (2010) Article DOI: 10.1016/j.bmc.2010.08.055 BindingDB Entry DOI: 10.7270/Q25Q4WB5
					More data for this Ligand-Target Pair
Enoyl-ACP reductase (Plasmodium falciparum)	BDBM50329257 (2-Hexadecynoic acid | CHEMBL1269411) Show SMILES CCCCCCCCCCCCCCC#CC(O)=O Show InChI InChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-14H2,1H3,(H,18,19)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of London Curated by ChEMBL					Assay Description Non-competitive inhibition of Plasmodium falciparum FabI using crotonyl-CoA as substrate by Michaelis-Menten steady state analysis				Bioorg Med Chem 18: 7475-85 (2010) Article DOI: 10.1016/j.bmc.2010.08.055 BindingDB Entry DOI: 10.7270/Q25Q4WB5
					More data for this Ligand-Target Pair
3-hydroxyacyl-[acyl-carrier-protein] dehydratase (Plasmodium falciparum)	BDBM50329257 (2-Hexadecynoic acid | CHEMBL1269411) Show SMILES CCCCCCCCCCCCCCC#CC(O)=O Show InChI InChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-14H2,1H3,(H,18,19)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of London Curated by ChEMBL					Assay Description Competitive inhibition of Plasmodium falciparum FabZ using crotonyl-CoA as substrate by Michaelis-Menten steady state analysis				Bioorg Med Chem 18: 7475-85 (2010) Article DOI: 10.1016/j.bmc.2010.08.055 BindingDB Entry DOI: 10.7270/Q25Q4WB5
					More data for this Ligand-Target Pair
3-oxoacyl-acyl-carrier protein reductase (Plasmodium falciparum)	BDBM50329257 (2-Hexadecynoic acid | CHEMBL1269411) Show SMILES CCCCCCCCCCCCCCC#CC(O)=O Show InChI InChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-14H2,1H3,(H,18,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of London Curated by ChEMBL					Assay Description Non-competitive inhibition of Plasmodium falciparum FabG using NADH as cofactor by Michaelis-Menten steady state analysis				Bioorg Med Chem 18: 7475-85 (2010) Article DOI: 10.1016/j.bmc.2010.08.055 BindingDB Entry DOI: 10.7270/Q25Q4WB5
					More data for this Ligand-Target Pair
3-oxoacyl-acyl-carrier protein reductase (Plasmodium falciparum)	BDBM50329257 (2-Hexadecynoic acid | CHEMBL1269411) Show SMILES CCCCCCCCCCCCCCC#CC(O)=O Show InChI InChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-14H2,1H3,(H,18,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.43E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of London Curated by ChEMBL					Assay Description Competitive inhibition of Plasmodium falciparum FabG using acetoacetyl-CoA as substrate by Michaelis-Menten steady state analysis				Bioorg Med Chem 18: 7475-85 (2010) Article DOI: 10.1016/j.bmc.2010.08.055 BindingDB Entry DOI: 10.7270/Q25Q4WB5
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM3414 ((2S)-N-[(2S,3R)-4-[2-(tert-butylcarbamoyl)phenyl]-...) Show SMILES CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 |r| Show InChI InChI=1S/C35H39N5O5/c1-35(2,3)40-32(43)25-15-9-7-14-24(25)20-30(41)28(19-22-11-5-4-6-12-22)38-34(45)29(21-31(36)42)39-33(44)27-18-17-23-13-8-10-16-26(23)37-27/h4-18,28-30,41H,19-21H2,1-3H3,(H2,36,42)(H,38,45)(H,39,44)(H,40,43)/t28-,29-,30+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration required for in vitro inhibition of HIV-1 protease				Bioorg Med Chem Lett 4: 1385-1390 (1994) Article DOI: 10.1016/S0960-894X(01)80367-X BindingDB Entry DOI: 10.7270/Q2QJ7H7N
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50282667 ((S)-N*1*-[(1S,2R)-1-Benzyl-3-(2-tert-butylcarbamoy...) Show SMILES Cc1ccc(C(=O)NC(C)(C)C)c(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)c2ccc3ccccc3n2)c1 Show InChI InChI=1S/C36H41N5O5/c1-22-14-16-26(33(44)41-36(2,3)4)25(18-22)20-31(42)29(19-23-10-6-5-7-11-23)39-35(46)30(21-32(37)43)40-34(45)28-17-15-24-12-8-9-13-27(24)38-28/h5-18,29-31,42H,19-21H2,1-4H3,(H2,37,43)(H,39,46)(H,40,45)(H,41,44)/t29-,30-,31+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration required for in vitro inhibition of HIV-1 protease				Bioorg Med Chem Lett 4: 1385-1390 (1994) Article DOI: 10.1016/S0960-894X(01)80367-X BindingDB Entry DOI: 10.7270/Q2QJ7H7N
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50282663 ((S)-N*1*-[(1S,2R)-1-Benzyl-3-(2-tert-butylcarbamoy...) Show SMILES Cc1ccc(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)c2ccc3ccccc3n2)c(c1)C(=O)NC(C)(C)C Show InChI InChI=1S/C36H41N5O5/c1-22-14-15-25(26(18-22)33(44)41-36(2,3)4)20-31(42)29(19-23-10-6-5-7-11-23)39-35(46)30(21-32(37)43)40-34(45)28-17-16-24-12-8-9-13-27(24)38-28/h5-18,29-31,42H,19-21H2,1-4H3,(H2,37,43)(H,39,46)(H,40,45)(H,41,44)/t29-,30-,31+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration required for in vitro inhibition of HIV-1 protease				Bioorg Med Chem Lett 4: 1385-1390 (1994) Article DOI: 10.1016/S0960-894X(01)80367-X BindingDB Entry DOI: 10.7270/Q2QJ7H7N
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50282665 ((S)-N*1*-[(1S,2R)-1-Benzyl-3-(1-tert-butylcarbamoy...) Show SMILES CC(C)(C)NC(=O)c1c(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)c2ccc3ccccc3n2)ccc2ccccc12 Show InChI InChI=1S/C39H41N5O5/c1-39(2,3)44-38(49)35-27(18-17-25-13-7-9-15-28(25)35)22-33(45)31(21-24-11-5-4-6-12-24)42-37(48)32(23-34(40)46)43-36(47)30-20-19-26-14-8-10-16-29(26)41-30/h4-20,31-33,45H,21-23H2,1-3H3,(H2,40,46)(H,42,48)(H,43,47)(H,44,49)/t31-,32-,33+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration required for in vitro inhibition of HIV-1 protease				Bioorg Med Chem Lett 4: 1385-1390 (1994) Article DOI: 10.1016/S0960-894X(01)80367-X BindingDB Entry DOI: 10.7270/Q2QJ7H7N
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50282664 ((S)-N*1*-[(1S,2R)-1-Benzyl-3-(2-tert-butylcarbamoy...) Show SMILES Cc1cccc(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)c2ccc3ccccc3n2)c1C(=O)NC(C)(C)C Show InChI InChI=1S/C36H41N5O5/c1-22-11-10-15-25(32(22)35(46)41-36(2,3)4)20-30(42)28(19-23-12-6-5-7-13-23)39-34(45)29(21-31(37)43)40-33(44)27-18-17-24-14-8-9-16-26(24)38-27/h5-18,28-30,42H,19-21H2,1-4H3,(H2,37,43)(H,39,45)(H,40,44)(H,41,46)/t28-,29-,30+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration required for in vitro inhibition of HIV-1 protease				Bioorg Med Chem Lett 4: 1385-1390 (1994) Article DOI: 10.1016/S0960-894X(01)80367-X BindingDB Entry DOI: 10.7270/Q2QJ7H7N
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50282668 ((S)-N*1*-[(1S,2R)-1-Benzyl-3-(3-tert-butylcarbamoy...) Show SMILES CC(C)(C)NC(=O)c1cc2ccccc2cc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 Show InChI InChI=1S/C39H41N5O5/c1-39(2,3)44-36(47)29-21-27-15-8-7-14-26(27)20-28(29)22-34(45)32(19-24-11-5-4-6-12-24)42-38(49)33(23-35(40)46)43-37(48)31-18-17-25-13-9-10-16-30(25)41-31/h4-18,20-21,32-34,45H,19,22-23H2,1-3H3,(H2,40,46)(H,42,49)(H,43,48)(H,44,47)/t32-,33-,34+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	149	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration required for in vitro inhibition of HIV-1 protease				Bioorg Med Chem Lett 4: 1385-1390 (1994) Article DOI: 10.1016/S0960-894X(01)80367-X BindingDB Entry DOI: 10.7270/Q2QJ7H7N
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50099216 ((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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	226	n/a	n/a	n/a	n/a	n/a	n/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 ((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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	226	n/a	n/a	n/a	n/a	n/a	n/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
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50282666 ((S)-N*1*-[(1S,2S)-1-Benzyl-3-(2-tert-butylcarbamoy...) Show SMILES CC(C)(C)NC(=O)c1ccccc1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 Show InChI InChI=1S/C35H39N5O5/c1-35(2,3)40-32(43)25-15-9-7-14-24(25)20-30(41)28(19-22-11-5-4-6-12-22)38-34(45)29(21-31(36)42)39-33(44)27-18-17-23-13-8-10-16-26(23)37-27/h4-18,28-30,41H,19-21H2,1-3H3,(H2,36,42)(H,38,45)(H,39,44)(H,40,43)/t28-,29-,30-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration required for in vitro inhibition of HIV-1 protease				Bioorg Med Chem Lett 4: 1385-1390 (1994) Article DOI: 10.1016/S0960-894X(01)80367-X BindingDB Entry DOI: 10.7270/Q2QJ7H7N
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50099216 ((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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	348	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of Prostate specific antigen PSA (Serine Protease)				J Med Chem 44: 1491-508 (2001) BindingDB Entry DOI: 10.7270/Q2MS3S17
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50099216 ((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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	348	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of Prostate specific antigen PSA (Serine Protease)				J Med Chem 44: 1491-508 (2001) BindingDB Entry DOI: 10.7270/Q2MS3S17
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50099212 (3-Benzyl-1-[2-(3-benzyloxycarbonyl-phenyl)-acetyl]...) Show SMILES NCc1ccc(COC(=O)[C@@H]2[C@H](Cc3ccccc3)C(=O)N2C(=O)Cc2cccc(c2)C(=O)OCc2ccccc2)cc1 Show InChI InChI=1S/C35H32N2O6/c36-21-25-14-16-27(17-15-25)23-43-35(41)32-30(19-24-8-3-1-4-9-24)33(39)37(32)31(38)20-28-12-7-13-29(18-28)34(40)42-22-26-10-5-2-6-11-26/h1-18,30,32H,19-23,36H2/t30-,32-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of Prostate specific antigen PSA (Serine Protease)				J Med Chem 44: 1491-508 (2001) BindingDB Entry DOI: 10.7270/Q2MS3S17
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50289630 ((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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.34E+3	n/a	n/a	n/a	n/a	n/a	n/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 ((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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.43E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of Prostate specific antigen PSA (Serine Protease)				J Med Chem 44: 1491-508 (2001) BindingDB Entry DOI: 10.7270/Q2MS3S17
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50099218 ((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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.43E+3	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50099214 (Benzoic acid 1-benzoyl-3-benzyl-4-oxo-azetidin-2-y...) Show SMILES O=C(OC[C@@H]1[C@H](Cc2ccccc2)C(=O)N1C(=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H21NO4/c27-23(19-12-6-2-7-13-19)26-22(17-30-25(29)20-14-8-3-9-15-20)21(24(26)28)16-18-10-4-1-5-11-18/h1-15,21-22H,16-17H2/t21-,22+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of Prostate specific antigen PSA (Serine Protease)				J Med Chem 44: 1491-508 (2001) BindingDB Entry DOI: 10.7270/Q2MS3S17
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50099215 (Benzoic acid 3-benzyl-1-ethanesulfonyl-4-oxo-azeti...) Show SMILES CCS(=O)(=O)N1[C@H](COC(=O)c2ccccc2)[C@H](Cc2ccccc2)C1=O Show InChI InChI=1S/C20H21NO5S/c1-2-27(24,25)21-18(14-26-20(23)16-11-7-4-8-12-16)17(19(21)22)13-15-9-5-3-6-10-15/h3-12,17-18H,2,13-14H2,1H3/t17-,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of Prostate specific antigen PSA (Serine Protease)				J Med Chem 44: 1491-508 (2001) BindingDB Entry DOI: 10.7270/Q2MS3S17
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50099209 (Benzoic acid 1-benzenesulfonyl-3-benzyl-4-oxo-azet...) Show SMILES O=C(OC[C@@H]1[C@H](Cc2ccccc2)C(=O)N1S(=O)(=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H21NO5S/c26-23-21(16-18-10-4-1-5-11-18)22(17-30-24(27)19-12-6-2-7-13-19)25(23)31(28,29)20-14-8-3-9-15-20/h1-15,21-22H,16-17H2/t21-,22+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of Prostate specific antigen PSA (Serine Protease)				J Med Chem 44: 1491-508 (2001) BindingDB Entry DOI: 10.7270/Q2MS3S17
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50099221 ((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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of Prostate specific antigen PSA (Serine Protease)				J Med Chem 44: 1491-508 (2001) BindingDB Entry DOI: 10.7270/Q2MS3S17
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50099221 ((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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50099211 (Benzoic acid 3-benzyl-4-oxo-1-(toluene-4-sulfonyl)...) Show SMILES Cc1ccc(cc1)S(=O)(=O)N1[C@H](COC(=O)c2ccccc2)[C@H](Cc2ccccc2)C1=O Show InChI InChI=1S/C25H23NO5S/c1-18-12-14-21(15-13-18)32(29,30)26-23(17-31-25(28)20-10-6-3-7-11-20)22(24(26)27)16-19-8-4-2-5-9-19/h2-15,22-23H,16-17H2,1H3/t22-,23+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.79E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of Prostate specific antigen PSA (Serine Protease)				J Med Chem 44: 1491-508 (2001) BindingDB Entry DOI: 10.7270/Q2MS3S17
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50099213 ((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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	5.84E+3	n/a	n/a	n/a	n/a	n/a	n/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 ((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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.84E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of Prostate specific antigen PSA (Serine Protease)				J Med Chem 44: 1491-508 (2001) BindingDB Entry DOI: 10.7270/Q2MS3S17
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50099205 ((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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of Prostate specific antigen PSA (Serine Protease)				J Med Chem 44: 1491-508 (2001) BindingDB Entry DOI: 10.7270/Q2MS3S17
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50099205 ((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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	8.98E+3	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50099219 (1-Benzoyl-3-(4-hydroxy-benzyl)-4-oxo-azetidine-2-c...) Show SMILES Oc1ccc(C[C@H]2[C@H](N(C(=O)c3ccccc3)C2=O)C(=O)OCc2ccccc2)cc1 Show InChI InChI=1S/C25H21NO5/c27-20-13-11-17(12-14-20)15-21-22(25(30)31-16-18-7-3-1-4-8-18)26(24(21)29)23(28)19-9-5-2-6-10-19/h1-14,21-22,27H,15-16H2/t21-,22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of Prostate specific antigen PSA (Serine Protease)				J Med Chem 44: 1491-508 (2001) BindingDB Entry DOI: 10.7270/Q2MS3S17
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50099220 (Benzoic acid 3-benzyl-1-(4-nitro-benzenesulfonyl)-...) Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)N1[C@H](COC(=O)c2ccccc2)[C@H](Cc2ccccc2)C1=O Show InChI InChI=1S/C24H20N2O7S/c27-23-21(15-17-7-3-1-4-8-17)22(16-33-24(28)18-9-5-2-6-10-18)25(23)34(31,32)20-13-11-19(12-14-20)26(29)30/h1-14,21-22H,15-16H2/t21-,22+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.15E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of Prostate specific antigen PSA (Serine Protease)				J Med Chem 44: 1491-508 (2001) BindingDB Entry DOI: 10.7270/Q2MS3S17
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50099217 (1-Benzoyl-3-benzyl-4-oxo-azetidine-2-carboxylic ac...) Show SMILES OC(=O)c1ccc(COC(=O)[C@@H]2[C@H](Cc3ccccc3)C(=O)N2C(=O)c2ccccc2)cc1 Show InChI InChI=1S/C26H21NO6/c28-23(19-9-5-2-6-10-19)27-22(21(24(27)29)15-17-7-3-1-4-8-17)26(32)33-16-18-11-13-20(14-12-18)25(30)31/h1-14,21-22H,15-16H2,(H,30,31)/t21-,22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.43E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of Prostate specific antigen PSA (Serine Protease)				J Med Chem 44: 1491-508 (2001) BindingDB Entry DOI: 10.7270/Q2MS3S17
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50099206 (3-Benzyl-4-oxo-1-(toluene-4-sulfonyl)-azetidine-2-...) Show SMILES Cc1ccc(cc1)S(=O)(=O)N1[C@@H]([C@H](Cc2ccccc2)C1=O)C(=O)OCc1ccccc1 Show InChI InChI=1S/C25H23NO5S/c1-18-12-14-21(15-13-18)32(29,30)26-23(25(28)31-17-20-10-6-3-7-11-20)22(24(26)27)16-19-8-4-2-5-9-19/h2-15,22-23H,16-17H2,1H3/t22-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of Prostate specific antigen PSA (Serine Protease)				J Med Chem 44: 1491-508 (2001) BindingDB Entry DOI: 10.7270/Q2MS3S17
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50099208 ((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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of Prostate specific antigen PSA (Serine Protease)				J Med Chem 44: 1491-508 (2001) BindingDB Entry DOI: 10.7270/Q2MS3S17
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50099208 ((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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50099210 (3-[2-(2-Benzoyloxymethyl-3-benzyl-4-oxo-azetidin-1...) Show SMILES O=C(Cc1cccc(c1)C(=O)OCc1ccccc1)N1[C@H](COC(=O)c2ccccc2)[C@H](Cc2ccccc2)C1=O Show InChI InChI=1S/C34H29NO6/c36-31(21-26-15-10-18-28(19-26)34(39)40-22-25-13-6-2-7-14-25)35-30(23-41-33(38)27-16-8-3-9-17-27)29(32(35)37)20-24-11-4-1-5-12-24/h1-19,29-30H,20-23H2/t29-,30+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of Prostate specific antigen PSA (Serine Protease)				J Med Chem 44: 1491-508 (2001) BindingDB Entry DOI: 10.7270/Q2MS3S17
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50099207 (CHEMBL36215 | Terephthalic acid mono-(1-benzoyl-3-...) Show SMILES OC(=O)c1ccc(cc1)C(=O)OC[C@@H]1[C@H](Cc2ccccc2)C(=O)N1C(=O)c1ccccc1 Show InChI InChI=1S/C26H21NO6/c28-23(18-9-5-2-6-10-18)27-22(21(24(27)29)15-17-7-3-1-4-8-17)16-33-26(32)20-13-11-19(12-14-20)25(30)31/h1-14,21-22H,15-16H2,(H,30,31)/t21-,22+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of Prostate specific antigen PSA (Serine Protease)				J Med Chem 44: 1491-508 (2001) BindingDB Entry DOI: 10.7270/Q2MS3S17
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50439266 (CHEMBL2419471) Show SMILES CCCc1cc2ccnc(N)c2o1 Show InChI InChI=1S/C10H12N2O/c1-2-3-8-6-7-4-5-12-10(11)9(7)13-8/h4-6H,2-3H2,1H3,(H2,11,12)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.44E+4	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Agonist activity at human TLR8 expressed in HEK293 cells co-transfected with MD2 and sAP assessed as induction of NF-kappaB activity by reporter gene...				J Med Chem 56: 6871-85 (2013) Article DOI: 10.1021/jm400694d BindingDB Entry DOI: 10.7270/Q2FB54CK
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50439267 (CHEMBL2419475) Show SMILES CCCCc1cc2c(o1)c(N)nc1ccccc21 Show InChI InChI=1S/C15H16N2O/c1-2-3-6-10-9-12-11-7-4-5-8-13(11)17-15(16)14(12)18-10/h4-5,7-9H,2-3,6H2,1H3,(H2,16,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Agonist activity at human TLR8 expressed in HEK293 cells co-transfected with MD2 and sAP assessed as induction of NF-kappaB activity by reporter gene...				J Med Chem 56: 6871-85 (2013) Article DOI: 10.1021/jm400694d BindingDB Entry DOI: 10.7270/Q2FB54CK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50439265 (CHEMBL2419274) Show SMILES CCCCc1cc2ccnc(N)c2o1 Show InChI InChI=1S/C11H14N2O/c1-2-3-4-9-7-8-5-6-13-11(12)10(8)14-9/h5-7H,2-4H2,1H3,(H2,12,13)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.62E+4	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Agonist activity at human TLR8 expressed in HEK293 cells co-transfected with MD2 and sAP assessed as induction of NF-kappaB activity by reporter gene...				J Med Chem 56: 6871-85 (2013) Article DOI: 10.1021/jm400694d BindingDB Entry DOI: 10.7270/Q2FB54CK
					More data for this Ligand-Target Pair