Compile Data Set for Download or QSAR

Found 49 hits with Last Name = 'lebeau' and Initial = 'am'   

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
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298756 ((5S,8S,11S,14S,17R)-11-(4-aminobutyl)-5,8-bis(hydr...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)N(C)C(=O)OCc1ccccc1)B(O)O |r| Show InChI InChI=1S/C32H55BN6O10/c1-20(2)15-24(29(43)38-27(33(47)48)16-21(3)4)36-28(42)23(13-9-10-14-34)35-30(44)25(17-40)37-31(45)26(18-41)39(5)32(46)49-19-22-11-7-6-8-12-22/h6-8,11-12,20-21,23-27,40-41,47-48H,9-10,13-19,34H2,1-5H3,(H,35,44)(H,36,42)(H,37,45)(H,38,43)/t23-,24-,25-,26-,27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298754 ((5S,8S,11S,14S,17R)-11-(4-aminobutyl)-5,8-bis(hydr...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)N(C)C(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)B(O)O |r| Show InChI InChI=1S/C32H55BN6O10/c1-20(2)15-23(28(42)38-27(33(47)48)16-21(3)4)35-30(44)26(13-9-10-14-34)39(5)31(45)25(18-41)36-29(43)24(17-40)37-32(46)49-19-22-11-7-6-8-12-22/h6-8,11-12,20-21,23-27,40-41,47-48H,9-10,13-19,34H2,1-5H3,(H,35,44)(H,36,43)(H,37,46)(H,38,42)/t23-,24-,25-,26-,27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298760 (CHEMBL574766 | benzyl(2S,5S,8S,11S,14S)-8-(4-amino...) Show SMILES CCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C=O |r| Show InChI InChI=1S/C32H52N6O9/c1-4-5-13-24(28(42)34-23(17-39)16-21(2)3)35-29(43)25(14-9-10-15-33)36-30(44)26(18-40)37-31(45)27(19-41)38-32(46)47-20-22-11-7-6-8-12-22/h6-8,11-12,17,21,23-27,40-41H,4-5,9-10,13-16,18-20,33H2,1-3H3,(H,34,42)(H,35,43)(H,36,44)(H,37,45)(H,38,46)/t23-,24-,25-,26-,27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298738 (CHEMBL583783 | benzyl(2S,5S,8S,11S,14S)-8-(3-amino...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C31H48N6O10/c1-18(2)12-21(14-38)33-28(43)23(13-19(3)4)35-27(42)22(10-11-26(32)41)34-29(44)24(15-39)36-30(45)25(16-40)37-31(46)47-17-20-8-6-5-7-9-20/h5-9,14,18-19,21-25,39-40H,10-13,15-17H2,1-4H3,(H2,32,41)(H,33,43)(H,34,44)(H,35,42)(H,36,45)(H,37,46)/t21-,22-,23-,24-,25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298761 (CHEMBL574788 | benzyl(2S,5S,8S,11S,14S)-8-(4-amino...) Show SMILES CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C=O |r| Show InChI InChI=1S/C31H50N6O9/c1-4-10-23(27(41)33-22(16-38)15-20(2)3)34-28(42)24(13-8-9-14-32)35-29(43)25(17-39)36-30(44)26(18-40)37-31(45)46-19-21-11-6-5-7-12-21/h5-7,11-12,16,20,22-26,39-40H,4,8-10,13-15,17-19,32H2,1-3H3,(H,33,41)(H,34,42)(H,35,43)(H,36,44)(H,37,45)/t22-,23-,24-,25-,26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298757 ((5S,8S,11S,14S,17R)-11-(4-aminobutyl)-5,8-bis(hydr...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)N(C)C(=O)[C@H](CO)NC(=O)[C@H](CO)N(C)C(=O)OCc1ccccc1)B(O)O |r| Show InChI InChI=1S/C33H57BN6O10/c1-21(2)16-24(29(43)38-28(34(48)49)17-22(3)4)36-30(44)26(14-10-11-15-35)39(5)32(46)25(18-41)37-31(45)27(19-42)40(6)33(47)50-20-23-12-8-7-9-13-23/h7-9,12-13,21-22,24-28,41-42,48-49H,10-11,14-20,35H2,1-6H3,(H,36,44)(H,37,45)(H,38,43)/t24-,25-,26-,27-,28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298762 (CHEMBL574924 | benzyl(2S,5S,8S,11S,14S)-8-(4-amino...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C32H52N6O9/c1-20(2)14-23(16-39)34-29(43)25(15-21(3)4)36-28(42)24(12-8-9-13-33)35-30(44)26(17-40)37-31(45)27(18-41)38-32(46)47-19-22-10-6-5-7-11-22/h5-7,10-11,16,20-21,23-27,40-41H,8-9,12-15,17-19,33H2,1-4H3,(H,34,43)(H,35,44)(H,36,42)(H,37,45)(H,38,46)/t23-,24-,25-,26-,27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298739 (CHEMBL583784 | benzyl(2S,5S,8S,11S,14S)-14-formyl-...) Show SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C=O |r| Show InChI InChI=1S/C31H49N5O9S/c1-19(2)13-22(15-37)32-28(41)24(14-20(3)4)34-27(40)23(11-12-46-5)33-29(42)25(16-38)35-30(43)26(17-39)36-31(44)45-18-21-9-7-6-8-10-21/h6-10,15,19-20,22-26,38-39H,11-14,16-18H2,1-5H3,(H,32,41)(H,33,42)(H,34,40)(H,35,43)(H,36,44)/t22-,23-,24-,25-,26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298740 (CHEMBL574324 | benzyl(2S,5S,8S,11S,14S)-14-formyl-...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C30H47N5O10/c1-18(2)12-21(14-37)31-27(41)23(13-19(3)4)33-26(40)22(10-11-36)32-28(42)24(15-38)34-29(43)25(16-39)35-30(44)45-17-20-8-6-5-7-9-20/h5-9,14,18-19,21-25,36,38-39H,10-13,15-17H2,1-4H3,(H,31,41)(H,32,42)(H,33,40)(H,34,43)(H,35,44)/t21-,22-,23-,24-,25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298714 (CHEMBL574925 | benzyl(2S,5S,8S,11S,14S)-8-(4-amino...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C35H50N6O9/c1-23(2)17-26(19-42)37-32(46)28(18-24-11-5-3-6-12-24)39-31(45)27(15-9-10-16-36)38-33(47)29(20-43)40-34(48)30(21-44)41-35(49)50-22-25-13-7-4-8-14-25/h3-8,11-14,19,23,26-30,43-44H,9-10,15-18,20-22,36H2,1-2H3,(H,37,46)(H,38,47)(H,39,45)(H,40,48)(H,41,49)/t26-,27-,28-,29-,30-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298715 (CHEMBL575847 | benzyl(2S,5S,8S,11S,14S)-8-(4-amino...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCS(C)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C31H50N6O10S/c1-20(2)15-22(16-38)33-27(41)24(12-14-48(3)46)35-28(42)23(11-7-8-13-32)34-29(43)25(17-39)36-30(44)26(18-40)37-31(45)47-19-21-9-5-4-6-10-21/h4-6,9-10,16,20,22-26,39-40H,7-8,11-15,17-19,32H2,1-3H3,(H,33,41)(H,34,43)(H,35,42)(H,36,44)(H,37,45)/t22-,23-,24-,25-,26-,48?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298716 (CHEMBL574792 | benzyl(2S,5S,8S,11S,14S)-8-(4-amino...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C35H50N6O10/c1-22(2)16-25(18-42)37-32(47)28(17-23-11-13-26(45)14-12-23)39-31(46)27(10-6-7-15-36)38-33(48)29(19-43)40-34(49)30(20-44)41-35(50)51-21-24-8-4-3-5-9-24/h3-5,8-9,11-14,18,22,25,27-30,43-45H,6-7,10,15-17,19-21,36H2,1-2H3,(H,37,47)(H,38,48)(H,39,46)(H,40,49)(H,41,50)/t25-,27-,28-,29-,30-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298741 (CHEMBL574931 | benzyl(2S,5S,8S,11S,14S)-7-cyclohex...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N(C1CCCCC1)C(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C35H55N5O9/c1-22(2)16-26(18-41)36-32(45)28(17-23(3)4)37-31(44)24(5)40(27-14-10-7-11-15-27)34(47)30(20-43)38-33(46)29(19-42)39-35(48)49-21-25-12-8-6-9-13-25/h6,8-9,12-13,18,22-24,26-30,42-43H,7,10-11,14-17,19-21H2,1-5H3,(H,36,45)(H,37,44)(H,38,46)(H,39,48)/t24-,26-,28-,29-,30-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298717 (CHEMBL574845 | benzyl(2S,5S,8S,11S,14S)-8-(4-amino...) Show SMILES CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C=O |r| Show InChI InChI=1S/C31H50N6O9S/c1-20(2)15-22(16-38)33-27(41)24(12-14-47-3)35-28(42)23(11-7-8-13-32)34-29(43)25(17-39)36-30(44)26(18-40)37-31(45)46-19-21-9-5-4-6-10-21/h4-6,9-10,16,20,22-26,39-40H,7-8,11-15,17-19,32H2,1-3H3,(H,33,41)(H,34,43)(H,35,42)(H,36,44)(H,37,45)/t22-,23-,24-,25-,26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298742 (CHEMBL583785 | benzyl(2S,5S,8S,11S,14S)-8-(2-amino...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C30H46N6O10/c1-17(2)10-20(13-37)32-26(41)21(11-18(3)4)33-27(42)22(12-25(31)40)34-28(43)23(14-38)35-29(44)24(15-39)36-30(45)46-16-19-8-6-5-7-9-19/h5-9,13,17-18,20-24,38-39H,10-12,14-16H2,1-4H3,(H2,31,40)(H,32,41)(H,33,42)(H,34,43)(H,35,44)(H,36,45)/t20-,21-,22-,23-,24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298718 (CHEMBL574926 | benzyl(2S,5S,8S,11S,14S)-11-((1H-im...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ncc[nH]1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C32H48N8O9/c1-20(2)14-22(16-41)36-29(45)24(15-27-34-12-13-35-27)38-28(44)23(10-6-7-11-33)37-30(46)25(17-42)39-31(47)26(18-43)40-32(48)49-19-21-8-4-3-5-9-21/h3-5,8-9,12-13,16,20,22-26,42-43H,6-7,10-11,14-15,17-19,33H2,1-2H3,(H,34,35)(H,36,45)(H,37,46)(H,38,44)(H,39,47)(H,40,48)/t22-,23-,24-,25-,26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	18.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298755 ((5S,8S,11S,14S,17R)-11-(4-aminobutyl)-5,8-bis(hydr...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)N(C)C(=O)[C@H](CO)NC(=O)OCc1ccccc1)B(O)O |r| Show InChI InChI=1S/C32H55BN6O10/c1-20(2)15-24(29(43)38-27(33(47)48)16-21(3)4)36-28(42)23(13-9-10-14-34)35-30(44)26(18-41)39(5)31(45)25(17-40)37-32(46)49-19-22-11-7-6-8-12-22/h6-8,11-12,20-21,23-27,40-41,47-48H,9-10,13-19,34H2,1-5H3,(H,35,44)(H,36,42)(H,37,46)(H,38,43)/t23-,24-,25-,26-,27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298743 (CHEMBL573527 | benzyl(2S,5S,8S,11S,14S)-14-formyl-...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C29H45N5O10/c1-17(2)10-20(12-35)30-25(39)21(11-18(3)4)31-26(40)22(13-36)32-27(41)23(14-37)33-28(42)24(15-38)34-29(43)44-16-19-8-6-5-7-9-19/h5-9,12,17-18,20-24,36-38H,10-11,13-16H2,1-4H3,(H,30,39)(H,31,40)(H,32,41)(H,33,42)(H,34,43)/t20-,21-,22-,23-,24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298719 (CHEMBL574851 | benzyl(2S,5S,8S,11S,14S)-11-(3-amin...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C31H49N7O10/c1-19(2)14-21(15-39)34-27(43)23(11-12-26(33)42)36-28(44)22(10-6-7-13-32)35-29(45)24(16-40)37-30(46)25(17-41)38-31(47)48-18-20-8-4-3-5-9-20/h3-5,8-9,15,19,21-25,40-41H,6-7,10-14,16-18,32H2,1-2H3,(H2,33,42)(H,34,43)(H,35,45)(H,36,44)(H,37,46)(H,38,47)/t21-,22-,23-,24-,25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298753 ((3S,6S,9S,12R)-9-(3-amino-3-oxopropyl)-3,6-bis(hyd...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)N1CCOCC1)B(O)O |r| Show InChI InChI=1S/C21H39BN6O10/c1-12(2)9-16(22(36)37)27-18(32)13(3-4-17(23)31)24-19(33)14(10-29)25-20(34)15(11-30)26-21(35)28-5-7-38-8-6-28/h12-16,29-30,36-37H,3-11H2,1-2H3,(H2,23,31)(H,24,33)(H,25,34)(H,26,35)(H,27,32)/t13-,14-,15-,16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	25.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298744 (CHEMBL573414 | benzyl(2S,5S,8S,11S,14S)-14-formyl-...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCS(C)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C31H49N5O10S/c1-19(2)13-22(15-37)32-28(41)24(14-20(3)4)34-27(40)23(11-12-47(5)45)33-29(42)25(16-38)35-30(43)26(17-39)36-31(44)46-18-21-9-7-6-8-10-21/h6-10,15,19-20,22-26,38-39H,11-14,16-18H2,1-5H3,(H,32,41)(H,33,42)(H,34,40)(H,35,43)(H,36,44)/t22-,23-,24-,25-,26-,47?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298752 ((5S,8S,11S,14R)-11-(3-amino-3-oxopropyl)-5,8-bis(h...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)B(O)O |r| Show InChI InChI=1S/C24H38BN5O10/c1-14(2)10-19(25(38)39)30-21(34)16(8-9-20(26)33)27-22(35)17(11-31)28-23(36)18(12-32)29-24(37)40-13-15-6-4-3-5-7-15/h3-7,14,16-19,31-32,38-39H,8-13H2,1-2H3,(H2,26,33)(H,27,35)(H,28,36)(H,29,37)(H,30,34)/t16-,17-,18-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298720 (CHEMBL574861 | benzyl(2S,5S,8S,11S,14S)-8-(4-amino...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C30H48N6O10/c1-19(2)14-21(15-38)32-26(41)23(11-13-37)34-27(42)22(10-6-7-12-31)33-28(43)24(16-39)35-29(44)25(17-40)36-30(45)46-18-20-8-4-3-5-9-20/h3-5,8-9,15,19,21-25,37,39-40H,6-7,10-14,16-18,31H2,1-2H3,(H,32,41)(H,33,43)(H,34,42)(H,35,44)(H,36,45)/t21-,22-,23-,24-,25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298721 (CHEMBL574927 | benzyl(2S,5S,8S,11S,14S)-8-(4-amino...) Show SMILES CC[C@H](C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C=O |r| Show InChI InChI=1S/C33H54N6O9/c1-5-22(4)16-26(30(44)35-24(17-40)15-21(2)3)37-29(43)25(13-9-10-14-34)36-31(45)27(18-41)38-32(46)28(19-42)39-33(47)48-20-23-11-7-6-8-12-23/h6-8,11-12,17,21-22,24-28,41-42H,5,9-10,13-16,18-20,34H2,1-4H3,(H,35,44)(H,36,45)(H,37,43)(H,38,46)(H,39,47)/t22-,24-,25-,26-,27-,28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298722 (CHEMBL574868 | benzyl(2S,5S,8S,11S,14S)-11-(2-amin...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C30H47N7O10/c1-18(2)12-20(14-38)33-27(43)22(13-25(32)41)35-26(42)21(10-6-7-11-31)34-28(44)23(15-39)36-29(45)24(16-40)37-30(46)47-17-19-8-4-3-5-9-19/h3-5,8-9,14,18,20-24,39-40H,6-7,10-13,15-17,31H2,1-2H3,(H2,32,41)(H,33,43)(H,34,44)(H,35,42)(H,36,45)(H,37,46)/t20-,21-,22-,23-,24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298745 (CHEMBL583786 | benzyl(2S,5S,8S,11S,14S)-14-formyl-...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)[C@@H](C)O)C=O |r| Show InChI InChI=1S/C30H47N5O10/c1-17(2)11-21(13-36)31-26(40)22(12-18(3)4)32-29(43)25(19(5)39)35-28(42)23(14-37)33-27(41)24(15-38)34-30(44)45-16-20-9-7-6-8-10-20/h6-10,13,17-19,21-25,37-39H,11-12,14-16H2,1-5H3,(H,31,40)(H,32,43)(H,33,41)(H,34,44)(H,35,42)/t19-,21+,22+,23+,24+,25+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298751 ((5S,8S,11S,14R)-11-(4-aminobutyl)-5,8-bis(hydroxym...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)B(O)O |r| Show InChI InChI=1S/C25H42BN5O9/c1-16(2)12-21(26(38)39)31-22(34)18(10-6-7-11-27)28-23(35)19(13-32)29-24(36)20(14-33)30-25(37)40-15-17-8-4-3-5-9-17/h3-5,8-9,16,18-21,32-33,38-39H,6-7,10-15,27H2,1-2H3,(H,28,35)(H,29,36)(H,30,37)(H,31,34)/t18-,19-,20-,21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	48.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298727 (CHEMBL573261 | benzyl(2S,5S,8S,11S,14S)-8-(4-amino...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C29H46N6O10/c1-18(2)12-20(13-36)31-26(41)22(14-37)33-25(40)21(10-6-7-11-30)32-27(42)23(15-38)34-28(43)24(16-39)35-29(44)45-17-19-8-4-3-5-9-19/h3-5,8-9,13,18,20-24,37-39H,6-7,10-12,14-17,30H2,1-2H3,(H,31,41)(H,32,42)(H,33,40)(H,34,43)(H,35,44)/t20-,21-,22-,23-,24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298723 (CHEMBL574878 | benzyl(2S,5S,8S,14S)-8-(4-aminobuty...) Show SMILES CC(C)C[C@H](NC(=O)CN(C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)c1ccccc1)C=O |r| Show InChI InChI=1S/C34H48N6O9/c1-23(2)17-25(19-41)36-30(44)18-40(26-13-7-4-8-14-26)33(47)27(15-9-10-16-35)37-31(45)28(20-42)38-32(46)29(21-43)39-34(48)49-22-24-11-5-3-6-12-24/h3-8,11-14,19,23,25,27-29,42-43H,9-10,15-18,20-22,35H2,1-2H3,(H,36,44)(H,37,45)(H,38,46)(H,39,48)/t25-,27-,28-,29-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298726 (CHEMBL574895 | benzyl(2S,5S,8S,11S,14S)-8-(4-amino...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)N(C1CCCCC1)C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C35H56N6O9/c1-23(2)18-26(19-42)37-31(45)24(3)41(27-14-8-5-9-15-27)34(48)28(16-10-11-17-36)38-32(46)29(20-43)39-33(47)30(21-44)40-35(49)50-22-25-12-6-4-7-13-25/h4,6-7,12-13,19,23-24,26-30,43-44H,5,8-11,14-18,20-22,36H2,1-3H3,(H,37,45)(H,38,46)(H,39,47)(H,40,49)/t24-,26-,28-,29-,30-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298728 (CHEMBL583571 | benzyl(2S,5S,8S,11S,14S)-8-(4-amino...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C(C)C)C=O |r| Show InChI InChI=1S/C31H50N6O9/c1-19(2)14-22(15-38)33-30(44)26(20(3)4)37-27(41)23(12-8-9-13-32)34-28(42)24(16-39)35-29(43)25(17-40)36-31(45)46-18-21-10-6-5-7-11-21/h5-7,10-11,15,19-20,22-26,39-40H,8-9,12-14,16-18,32H2,1-4H3,(H,33,44)(H,34,42)(H,35,43)(H,36,45)(H,37,41)/t22-,23-,24-,25-,26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298725 (CHEMBL574928 | benzyl(2S,5S,8S,11S,14S)-8,11-bis(4...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C32H53N7O9/c1-21(2)16-23(17-40)35-28(43)24(12-6-8-14-33)36-29(44)25(13-7-9-15-34)37-30(45)26(18-41)38-31(46)27(19-42)39-32(47)48-20-22-10-4-3-5-11-22/h3-5,10-11,17,21,23-27,41-42H,6-9,12-16,18-20,33-34H2,1-2H3,(H,35,43)(H,36,44)(H,37,45)(H,38,46)(H,39,47)/t23-,24-,25-,26-,27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298724 (CHEMBL574885 | benzyl(2S,5S,8S,11R,14S)-8-(4-amino...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CSC(C)(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C33H54N6O9S/c1-21(2)15-23(16-40)35-31(46)27(20-49-33(3,4)5)38-28(43)24(13-9-10-14-34)36-29(44)25(17-41)37-30(45)26(18-42)39-32(47)48-19-22-11-7-6-8-12-22/h6-8,11-12,16,21,23-27,41-42H,9-10,13-15,17-20,34H2,1-5H3,(H,35,46)(H,36,44)(H,37,45)(H,38,43)(H,39,47)/t23-,24-,25-,26-,27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298758 ((5S,8S,11S,14S,17R)-11-(4-aminobutyl)-5,8-bis(hydr...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)N(C)C(=O)[C@H](CO)N(C)C(=O)[C@H](CO)N(C)C(=O)OCc1ccccc1)B(O)O |r| Show InChI InChI=1S/C34H59BN6O10/c1-22(2)17-25(30(44)38-29(35(49)50)18-23(3)4)37-31(45)26(15-11-12-16-36)39(5)32(46)27(19-42)40(6)33(47)28(20-43)41(7)34(48)51-21-24-13-9-8-10-14-24/h8-10,13-14,22-23,25-29,42-43,49-50H,11-12,15-21,36H2,1-7H3,(H,37,45)(H,38,44)/t25-,26-,27-,28-,29-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298759 ((5S,8S,11S,14S,17R)-11-(4-aminobutyl)-5,8-bis(hydr...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)B(O)O |r| Show InChI InChI=1S/C31H53BN6O10/c1-19(2)14-23(28(42)38-26(32(46)47)15-20(3)4)35-27(41)22(12-8-9-13-33)34-29(43)24(16-39)36-30(44)25(17-40)37-31(45)48-18-21-10-6-5-7-11-21/h5-7,10-11,19-20,22-26,39-40,46-47H,8-9,12-18,33H2,1-4H3,(H,34,43)(H,35,41)(H,36,44)(H,37,45)(H,38,42)/t22-,23-,24-,25-,26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298731 (CHEMBL583572 | benzyl(2S,5S,8S,11S,14S)-8-(4-amino...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)N(C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)c1ccc2ccccc2c1)C=O |r| Show InChI InChI=1S/C39H52N6O9/c1-25(2)19-30(21-46)41-35(49)26(3)45(31-17-16-28-13-7-8-14-29(28)20-31)38(52)32(15-9-10-18-40)42-36(50)33(22-47)43-37(51)34(23-48)44-39(53)54-24-27-11-5-4-6-12-27/h4-8,11-14,16-17,20-21,25-26,30,32-34,47-48H,9-10,15,18-19,22-24,40H2,1-3H3,(H,41,49)(H,42,50)(H,43,51)(H,44,53)/t26-,30-,32-,33-,34-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298730 (CHEMBL574923 | benzyl(2S,5S,8S,11S,14S)-8-(4-amino...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C29H46N6O9/c1-18(2)13-21(14-36)32-25(39)19(3)31-26(40)22(11-7-8-12-30)33-27(41)23(15-37)34-28(42)24(16-38)35-29(43)44-17-20-9-5-4-6-10-20/h4-6,9-10,14,18-19,21-24,37-38H,7-8,11-13,15-17,30H2,1-3H3,(H,31,40)(H,32,39)(H,33,41)(H,34,42)(H,35,43)/t19-,21-,22-,23-,24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298729 (CHEMBL574929 | benzyl(2S,5S,8S,11S,14S)-8-(4-amino...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)[C@@H](C)O)C=O |r| Show InChI InChI=1S/C30H48N6O10/c1-18(2)13-21(14-37)32-29(44)25(19(3)40)36-26(41)22(11-7-8-12-31)33-27(42)23(15-38)34-28(43)24(16-39)35-30(45)46-17-20-9-5-4-6-10-20/h4-6,9-10,14,18-19,21-25,38-40H,7-8,11-13,15-17,31H2,1-3H3,(H,32,44)(H,33,42)(H,34,43)(H,35,45)(H,36,41)/t19-,21+,22+,23+,24+,25+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298746 (CHEMBL575143 | benzyl(2S,5S,8S,11S,14S)-14-formyl-...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C29H45N5O9/c1-17(2)11-21(13-35)31-26(39)22(12-18(3)4)32-25(38)19(5)30-27(40)23(14-36)33-28(41)24(15-37)34-29(42)43-16-20-9-7-6-8-10-20/h6-10,13,17-19,21-24,36-37H,11-12,14-16H2,1-5H3,(H,30,40)(H,31,39)(H,32,38)(H,33,41)(H,34,42)/t19-,21-,22-,23-,24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298732 (CHEMBL583573 | benzyl(2S,5S,8S,11S,14S)-8-(4-amino...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C35H49BrN6O9/c1-22(2)16-26(18-43)38-32(47)28(17-23-11-13-25(36)14-12-23)40-31(46)27(10-6-7-15-37)39-33(48)29(19-44)41-34(49)30(20-45)42-35(50)51-21-24-8-4-3-5-9-24/h3-5,8-9,11-14,18,22,26-30,44-45H,6-7,10,15-17,19-21,37H2,1-2H3,(H,38,47)(H,39,48)(H,40,46)(H,41,49)(H,42,50)/t26-,27-,28-,29-,30-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298733 (CHEMBL574759 | benzyl(S)-1-((S)-1-((S)-6-amino-1-(...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C31H48N6O9/c1-20(2)15-22(16-38)33-29(43)26-12-8-14-37(26)30(44)23(11-6-7-13-32)34-27(41)24(17-39)35-28(42)25(18-40)36-31(45)46-19-21-9-4-3-5-10-21/h3-5,9-10,16,20,22-26,39-40H,6-8,11-15,17-19,32H2,1-2H3,(H,33,43)(H,34,41)(H,35,42)(H,36,45)/t22-,23-,24-,25-,26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298734 (CHEMBL583574 | benzyl(2S)-1-((2S)-1-((2S)-6-amino-...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1C(O)CCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C31H48N6O10/c1-19(2)14-21(15-38)33-29(44)26-25(41)11-13-37(26)30(45)22(10-6-7-12-32)34-27(42)23(16-39)35-28(43)24(17-40)36-31(46)47-18-20-8-4-3-5-9-20/h3-5,8-9,15,19,21-26,39-41H,6-7,10-14,16-18,32H2,1-2H3,(H,33,44)(H,34,42)(H,35,43)(H,36,46)/t21-,22-,23-,24-,25?,26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298749 ((5S,8S,11S)-5,8-bis(hydroxymethyl)-11-((S)-4-methy...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C31H47N5O11/c1-18(2)12-21(14-37)32-28(43)23(13-19(3)4)34-27(42)22(10-11-26(40)41)33-29(44)24(15-38)35-30(45)25(16-39)36-31(46)47-17-20-8-6-5-7-9-20/h5-9,14,18-19,21-25,38-39H,10-13,15-17H2,1-4H3,(H,32,43)(H,33,44)(H,34,42)(H,35,45)(H,36,46)(H,40,41)/t21-,22-,23-,24-,25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298748 (CHEMBL574916 | benzyl(2S,5S,11S,14S)-14-formyl-1-h...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C28H43N5O9/c1-17(2)10-20(13-34)30-26(39)21(11-18(3)4)31-24(37)12-29-25(38)22(14-35)32-27(40)23(15-36)33-28(41)42-16-19-8-6-5-7-9-19/h5-9,13,17-18,20-23,35-36H,10-12,14-16H2,1-4H3,(H,29,38)(H,30,39)(H,31,37)(H,32,40)(H,33,41)/t20-,21-,22-,23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298747 (CHEMBL575134 | benzyl(S)-3-hydroxy-1-((S)-3-hydrox...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C31H47N5O9/c1-19(2)13-22(15-37)32-27(40)23(14-20(3)4)33-29(42)26-11-8-12-36(26)30(43)25(17-39)34-28(41)24(16-38)35-31(44)45-18-21-9-6-5-7-10-21/h5-7,9-10,15,19-20,22-26,38-39H,8,11-14,16-18H2,1-4H3,(H,32,40)(H,33,42)(H,34,41)(H,35,44)/t22-,23-,24-,25-,26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298737 ((5S,8S,11S,14S)-11-(4-aminobutyl)-5,8-bis(hydroxym...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C31H48N6O11/c1-19(2)14-21(15-38)33-27(43)23(11-12-26(41)42)35-28(44)22(10-6-7-13-32)34-29(45)24(16-39)36-30(46)25(17-40)37-31(47)48-18-20-8-4-3-5-9-20/h3-5,8-9,15,19,21-25,39-40H,6-7,10-14,16-18,32H2,1-2H3,(H,33,43)(H,34,45)(H,35,44)(H,36,46)(H,37,47)(H,41,42)/t21-,22-,23-,24-,25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298736 ((5S,8S,11S,14S)-11-(4-aminobutyl)-5,8-bis(hydroxym...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C30H46N6O11/c1-18(2)12-20(14-37)32-27(43)22(13-25(40)41)34-26(42)21(10-6-7-11-31)33-28(44)23(15-38)35-29(45)24(16-39)36-30(46)47-17-19-8-4-3-5-9-19/h3-5,8-9,14,18,20-24,38-39H,6-7,10-13,15-17,31H2,1-2H3,(H,32,43)(H,33,44)(H,34,42)(H,35,45)(H,36,46)(H,40,41)/t20-,21-,22-,23-,24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298735 (CHEMBL575866 | benzyl(2S,5S,8S,14S)-8-(4-aminobuty...) Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C28H44N6O9/c1-18(2)12-20(14-35)31-24(38)13-30-25(39)21(10-6-7-11-29)32-26(40)22(15-36)33-27(41)23(16-37)34-28(42)43-17-19-8-4-3-5-9-19/h3-5,8-9,14,18,20-23,36-37H,6-7,10-13,15-17,29H2,1-2H3,(H,30,39)(H,31,38)(H,32,40)(H,33,41)(H,34,42)/t20-,21-,22-,23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298750 ((5S,8S,11S)-5,8-bis(hydroxymethyl)-11-((S)-4-methy...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C30H45N5O11/c1-17(2)10-20(13-36)31-26(41)21(11-18(3)4)32-27(42)22(12-25(39)40)33-28(43)23(14-37)34-29(44)24(15-38)35-30(45)46-16-19-8-6-5-7-9-19/h5-9,13,17-18,20-24,37-38H,10-12,14-16H2,1-4H3,(H,31,41)(H,32,42)(H,33,43)(H,34,44)(H,35,45)(H,39,40)/t20-,21-,22-,23-,24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair