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Compile Data Set for Download or QSAR

Found 74 hits Enz. Inhib. hit(s) with Target = 'Prostate specific antigen' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Prostate specific antigen


(Homo sapiens)
BDBM50298756
PNG
((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
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
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0.200n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Prostate specific antigen


(Homo sapiens)
BDBM50298754
PNG
((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
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
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2.5n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Prostate specific antigen


(Homo sapiens)
BDBM50298760
PNG
(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
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
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3.60n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Prostate specific antigen


(Homo sapiens)
BDBM50298738
PNG
(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
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
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3.90n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Prostate specific antigen


(Homo sapiens)
BDBM50298761
PNG
(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
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
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4.40n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Prostate specific antigen


(Homo sapiens)
BDBM50298757
PNG
((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
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
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5.60n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Prostate specific antigen


(Homo sapiens)
BDBM50298762
PNG
(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
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
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6.5n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Prostate specific antigen


(Homo sapiens)
BDBM50298739
PNG
(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
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
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7.5n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Prostate specific antigen


(Homo sapiens)
BDBM50298740
PNG
(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
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
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8.80n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Prostate specific antigen


(Homo sapiens)
BDBM50298714
PNG
(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
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
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11.9n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Prostate specific antigen


(Homo sapiens)
BDBM50298715
PNG
(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
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
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12.8n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Prostate specific antigen


(Homo sapiens)
BDBM50298716
PNG
(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
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
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13.1n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Prostate specific antigen


(Homo sapiens)
BDBM50298741
PNG
(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
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
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13.1n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Prostate specific antigen


(Homo sapiens)
BDBM50298717
PNG
(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
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
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13.7n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Prostate specific antigen


(Homo sapiens)
BDBM50298742
PNG
(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
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
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18.2n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Prostate specific antigen


(Homo sapiens)
BDBM50298718
PNG
(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
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
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18.6n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Prostate specific antigen


(Homo sapiens)
BDBM50298743
PNG
(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
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
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19.9n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Prostate specific antigen


(Homo sapiens)
BDBM50298755
PNG
((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
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
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19.9n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Prostate specific antigen


(Homo sapiens)
BDBM50298719
PNG
(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
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
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21.8n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Prostate specific antigen


(Homo sapiens)
BDBM50434151
PNG
(CHEMBL2381666)
Show SMILES CCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CCCCCN)C(=O)N[C@H](Cc1ccccc1)B(O)O
Show InChI InChI=1S/C28H47BN6O8/c1-2-3-12-20(27(40)35-23(29(42)43)17-19-10-6-4-7-11-19)33-26(39)21(14-15-24(31)37)34-28(41)22(18-36)32-25(38)13-8-5-9-16-30/h4,6-7,10-11,20-23,36,42-43H,2-3,5,8-9,12-18,30H2,1H3,(H2,31,37)(H,32,38)(H,33,39)(H,34,41)(H,35,40)/t20-,21-,22-,23+/m0/s1
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22n/an/an/an/an/an/an/an/a



The Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human seminal fluid PSA using Mu-SRKSQQY-AMC as substrate measured for 30 mins by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Prostate specific antigen


(Homo sapiens)
BDBM50434153
PNG
(CHEMBL2381668)
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](CCCBr)B(O)O
Show InChI InChI=1S/C30H50BBrN6O10/c1-2-3-12-21(27(42)38-25(31(46)47)14-9-15-32)34-26(41)22(13-7-8-16-33)35-28(43)23(17-39)36-29(44)24(18-40)37-30(45)48-19-20-10-5-4-6-11-20/h4-6,10-11,21-25,39-40,46-47H,2-3,7-9,12-19,33H2,1H3,(H,34,41)(H,35,43)(H,36,44)(H,37,45)(H,38,42)/t21-,22-,23-,24-,25+/m0/s1
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24n/an/an/an/an/an/an/an/a



The Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human seminal fluid PSA using Mu-SRKSQQY-AMC as substrate measured for 30 mins by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Prostate specific antigen


(Homo sapiens)
BDBM50298753
PNG
((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
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
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25.3n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Prostate specific antigen


(Homo sapiens)
BDBM50298744
PNG
(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
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
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25.9n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Prostate specific antigen


(Homo sapiens)
BDBM50298752
PNG
((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
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
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27.5n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Prostate specific antigen


(Homo sapiens)
BDBM50298720
PNG
(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
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
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29.4n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Prostate specific antigen


(Homo sapiens)
BDBM50298721
PNG
(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
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
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37.4n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Prostate specific antigen


(Homo sapiens)
BDBM50298722
PNG
(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
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
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41.9n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Prostate specific antigen


(Homo sapiens)
BDBM50434152
PNG
(CHEMBL2381665)
Show SMILES CCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)CCCCCN)C(=O)N[C@H](CC(C)C)B(O)O
Show InChI InChI=1S/C28H54BN7O10/c1-4-5-9-18(26(42)36-22(29(45)46)14-17(2)3)33-25(41)19(11-12-23(31)39)34-28(44)21(16-38)35-27(43)20(15-37)32-24(40)10-7-6-8-13-30/h17-22,37-38,45-46H,4-16,30H2,1-3H3,(H2,31,39)(H,32,40)(H,33,41)(H,34,44)(H,35,43)(H,36,42)/t18-,19-,20-,21-,22+/m0/s1
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43n/an/an/an/an/an/an/an/a



The Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human seminal fluid PSA using Mu-SRKSQQY-AMC as substrate measured for 30 mins by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Prostate specific antigen


(Homo sapiens)
BDBM50298745
PNG
(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
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
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43.8n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Prostate specific antigen


(Homo sapiens)
BDBM50298751
PNG
((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
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
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48.4n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Prostate specific antigen


(Homo sapiens)
BDBM50298723
PNG
(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
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
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>50n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Prostate specific antigen


(Homo sapiens)
BDBM50298724
PNG
(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
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
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>50n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Prostate specific antigen


(Homo sapiens)
BDBM50298725
PNG
(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
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
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>50n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Prostate specific antigen


(Homo sapiens)
BDBM50298726
PNG
(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
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
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>50n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Prostate specific antigen


(Homo sapiens)
BDBM50298758
PNG
((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
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
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>50n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Prostate specific antigen


(Homo sapiens)
BDBM50298728
PNG
(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
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
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>50n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Prostate specific antigen


(Homo sapiens)
BDBM50298727
PNG
(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
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
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>50n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Prostate specific antigen


(Homo sapiens)
BDBM50434148
PNG
(CHEMBL2381663)
Show SMILES CCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)CCCCCN)C(=O)N[C@H](CCCBr)B(O)O
Show InChI InChI=1S/C27H51BBrN7O9/c1-3-4-9-18(26(42)36-21(28(44)45)10-8-14-29)33-25(41)19(12-13-22(31)38)34-27(43)20(16-37)35-24(40)17(2)32-23(39)11-6-5-7-15-30/h17-21,37,44-45H,3-16,30H2,1-2H3,(H2,31,38)(H,32,39)(H,33,41)(H,34,43)(H,35,40)(H,36,42)/t17-,18-,19-,20-,21+/m0/s1
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52n/an/an/an/an/an/an/an/a



The Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human seminal fluid PSA using Mu-SRKSQQY-AMC as substrate measured for 30 mins by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Prostate specific antigen


(Homo sapiens)
BDBM50434147
PNG
(CHEMBL2381661)
Show SMILES CCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCN)C(=O)N[C@H](Cc1ccccc1)B(O)O
Show InChI InChI=1S/C37H56BN7O9/c1-2-3-17-27(35(50)45-31(38(53)54)23-26-15-9-5-10-16-26)42-34(49)28(19-20-32(40)47)43-37(52)30(24-46)44-36(51)29(22-25-13-7-4-8-14-25)41-33(48)18-11-6-12-21-39/h4-5,7-10,13-16,27-31,46,53-54H,2-3,6,11-12,17-24,39H2,1H3,(H2,40,47)(H,41,48)(H,42,49)(H,43,52)(H,44,51)(H,45,50)/t27-,28-,29-,30-,31+/m0/s1
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61n/an/an/an/an/an/an/an/a



The Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human seminal fluid PSA using Mu-SRKSQQY-AMC as substrate measured for 30 mins by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Prostate specific antigen


(Homo sapiens)
BDBM50434145
PNG
(CHEMBL2381660)
Show SMILES CCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCNC(=O)c1ccc(I)cc1)C(=O)N[C@H](CCCBr)B(O)O
Show InChI InChI=1S/C40H58BBrIN7O10/c1-2-3-13-29(38(56)50-33(41(59)60)14-10-22-42)47-37(55)30(20-21-34(44)52)48-40(58)32(25-51)49-39(57)31(24-26-11-6-4-7-12-26)46-35(53)15-8-5-9-23-45-36(54)27-16-18-28(43)19-17-27/h4,6-7,11-12,16-19,29-33,51,59-60H,2-3,5,8-10,13-15,20-25H2,1H3,(H2,44,52)(H,45,54)(H,46,53)(H,47,55)(H,48,58)(H,49,57)(H,50,56)/t29-,30-,31-,32-,33+/m0/s1
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64n/an/an/an/an/an/an/an/a



The Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human seminal fluid PSA using Mu-SRKSQQY-AMC as substrate measured for 30 mins by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Prostate specific antigen


(Homo sapiens)
BDBM50298759
PNG
((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
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
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65n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Prostate specific antigen


(Homo sapiens)
BDBM50298759
PNG
((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
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
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65n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of human KLK3 using Mu-SRKSQQY-AMC as substrate by fluorometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Prostate specific antigen


(Homo sapiens)
BDBM50434142
PNG
(CHEMBL2381669)
Show SMILES CCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCN)C(=O)N[C@H](CCCBr)B(O)O
Show InChI InChI=1S/C33H55BBrN7O9/c1-2-3-13-23(31(47)42-27(34(50)51)14-10-18-35)39-30(46)24(16-17-28(37)44)40-33(49)26(21-43)41-32(48)25(20-22-11-6-4-7-12-22)38-29(45)15-8-5-9-19-36/h4,6-7,11-12,23-27,43,50-51H,2-3,5,8-10,13-21,36H2,1H3,(H2,37,44)(H,38,45)(H,39,46)(H,40,49)(H,41,48)(H,42,47)/t23-,24-,25-,26-,27+/m0/s1
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72n/an/an/an/an/an/an/an/a



The Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human seminal fluid PSA using Mu-SRKSQQY-AMC as substrate measured for 30 mins by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Prostate specific antigen


(Homo sapiens)
BDBM50434142
PNG
(CHEMBL2381669)
Show SMILES CCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCN)C(=O)N[C@H](CCCBr)B(O)O
Show InChI InChI=1S/C33H55BBrN7O9/c1-2-3-13-23(31(47)42-27(34(50)51)14-10-18-35)39-30(46)24(16-17-28(37)44)40-33(49)26(21-43)41-32(48)25(20-22-11-6-4-7-12-22)38-29(45)15-8-5-9-19-36/h4,6-7,11-12,23-27,43,50-51H,2-3,5,8-10,13-21,36H2,1H3,(H2,37,44)(H,38,45)(H,39,46)(H,40,49)(H,41,48)(H,42,47)/t23-,24-,25-,26-,27+/m0/s1
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72n/an/an/an/an/an/an/an/a



The Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of PSA (unknown origin) in 50 mM TRIS.HCL and 100 mM NaCl buffer at pH 7.8


Citation and Details
More data for this
Ligand-Target Pair
Prostate specific antigen


(Homo sapiens)
BDBM50434146
PNG
(CHEMBL2381670)
Show SMILES CCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCN)C(=O)N[C@H](CCCBr)B1O[C@@H]2C[C@H]3C[C@H](C3(C)C)[C@]2(C)O1
Show InChI InChI=1S/C43H69BBrN7O9/c1-5-6-16-29(39(57)52-35(17-13-21-45)44-60-34-25-28-24-33(42(28,2)3)43(34,4)61-44)49-38(56)30(19-20-36(47)54)50-41(59)32(26-53)51-40(58)31(23-27-14-9-7-10-15-27)48-37(55)18-11-8-12-22-46/h7,9-10,14-15,28-35,53H,5-6,8,11-13,16-26,46H2,1-4H3,(H2,47,54)(H,48,55)(H,49,56)(H,50,59)(H,51,58)(H,52,57)/t28-,29+,30+,31+,32+,33-,34-,35-,43+/m1/s1
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73n/an/an/an/an/an/an/an/a



The Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human seminal fluid PSA using Mu-SRKSQQY-AMC as substrate measured for 30 mins by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Prostate specific antigen


(Homo sapiens)
BDBM50434142
PNG
(CHEMBL2381669)
Show SMILES CCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCN)C(=O)N[C@H](CCCBr)B(O)O
Show InChI InChI=1S/C33H55BBrN7O9/c1-2-3-13-23(31(47)42-27(34(50)51)14-10-18-35)39-30(46)24(16-17-28(37)44)40-33(49)26(21-43)41-32(48)25(20-22-11-6-4-7-12-22)38-29(45)15-8-5-9-19-36/h4,6-7,11-12,23-27,43,50-51H,2-3,5,8-10,13-21,36H2,1H3,(H2,37,44)(H,38,45)(H,39,46)(H,40,49)(H,41,48)(H,42,47)/t23-,24-,25-,26-,27+/m0/s1
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75n/an/an/an/an/an/an/an/a



The Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of PSA (unknown origin) in RPMI


Citation and Details
More data for this
Ligand-Target Pair
Prostate specific antigen


(Homo sapiens)
BDBM50298731
PNG
(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
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
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>100n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Prostate specific antigen


(Homo sapiens)
BDBM50298730
PNG
(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
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
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>100n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Prostate specific antigen


(Homo sapiens)
BDBM50298729
PNG
(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
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
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>100n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Prostate specific antigen


(Homo sapiens)
BDBM50434143
PNG
(CHEMBL2381658)
Show SMILES CCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)C[C@H](Cc1ccc2ccccc2c1)NC(=O)CCCCCN)C(=O)N[C@H](CCCBr)B(O)O
Show InChI InChI=1S/C38H59BBrN7O9/c1-2-3-12-29(37(53)47-32(39(55)56)13-9-19-40)45-36(52)30(17-18-33(42)49)46-38(54)31(24-48)44-35(51)23-28(43-34(50)14-5-4-8-20-41)22-25-15-16-26-10-6-7-11-27(26)21-25/h6-7,10-11,15-16,21,28-32,48,55-56H,2-5,8-9,12-14,17-20,22-24,41H2,1H3,(H2,42,49)(H,43,50)(H,44,51)(H,45,52)(H,46,54)(H,47,53)/t28-,29-,30-,31-,32+/m0/s1
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102n/an/an/an/an/an/an/an/a



The Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human seminal fluid PSA using Mu-SRKSQQY-AMC as substrate measured for 30 mins by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
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