Found 20 hits Enz. Inhib. hit(s) with all data for entry = 50042981 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)) | BDBM50434151
(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 |r| 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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 |
J Med Chem 56: 4224-35 (2013)
Article DOI: 10.1021/jm301718c
BindingDB Entry DOI: 10.7270/Q2V69KZF |
More data for this
Ligand-Target Pair | |
Prostate-specific antigen
(Homo sapiens (Human)) | BDBM50434153
(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 |r| 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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 |
J Med Chem 56: 4224-35 (2013)
Article DOI: 10.1021/jm301718c
BindingDB Entry DOI: 10.7270/Q2V69KZF |
More data for this
Ligand-Target Pair | |
Prostate-specific antigen
(Homo sapiens (Human)) | BDBM50434152
(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 |r| 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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 |
J Med Chem 56: 4224-35 (2013)
Article DOI: 10.1021/jm301718c
BindingDB Entry DOI: 10.7270/Q2V69KZF |
More data for this
Ligand-Target Pair | |
Prostate-specific antigen
(Homo sapiens (Human)) | BDBM50434148
(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 |r| 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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 52 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 |
J Med Chem 56: 4224-35 (2013)
Article DOI: 10.1021/jm301718c
BindingDB Entry DOI: 10.7270/Q2V69KZF |
More data for this
Ligand-Target Pair | |
Prostate-specific antigen
(Homo sapiens (Human)) | BDBM50434147
(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 |r| 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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 61 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 |
J Med Chem 56: 4224-35 (2013)
Article DOI: 10.1021/jm301718c
BindingDB Entry DOI: 10.7270/Q2V69KZF |
More data for this
Ligand-Target Pair | |
Prostate-specific antigen
(Homo sapiens (Human)) | BDBM50434145
(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 |r| 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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 64 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 |
J Med Chem 56: 4224-35 (2013)
Article DOI: 10.1021/jm301718c
BindingDB Entry DOI: 10.7270/Q2V69KZF |
More data for this
Ligand-Target Pair | |
Prostate-specific antigen
(Homo sapiens (Human)) | BDBM50434142
(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 |r| 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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 72 | n/a | n/a | n/a | n/a | n/a | n/a | 7.8 | n/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 |
J Med Chem 56: 4224-35 (2013)
Article DOI: 10.1021/jm301718c
BindingDB Entry DOI: 10.7270/Q2V69KZF |
More data for this
Ligand-Target Pair | |
Prostate-specific antigen
(Homo sapiens (Human)) | BDBM50434142
(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 |r| 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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 72 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 |
J Med Chem 56: 4224-35 (2013)
Article DOI: 10.1021/jm301718c
BindingDB Entry DOI: 10.7270/Q2V69KZF |
More data for this
Ligand-Target Pair | |
Prostate-specific antigen
(Homo sapiens (Human)) | BDBM50434146
(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 |r| 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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 73 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 |
J Med Chem 56: 4224-35 (2013)
Article DOI: 10.1021/jm301718c
BindingDB Entry DOI: 10.7270/Q2V69KZF |
More data for this
Ligand-Target Pair | |
Prostate-specific antigen
(Homo sapiens (Human)) | BDBM50434142
(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 |r| 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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 75 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Johns Hopkins University
Curated by ChEMBL
| Assay Description
Inhibition of PSA (unknown origin) in RPMI |
J Med Chem 56: 4224-35 (2013)
Article DOI: 10.1021/jm301718c
BindingDB Entry DOI: 10.7270/Q2V69KZF |
More data for this
Ligand-Target Pair | |
Prostate-specific antigen
(Homo sapiens (Human)) | BDBM50434143
(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 |r| 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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 102 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 |
J Med Chem 56: 4224-35 (2013)
Article DOI: 10.1021/jm301718c
BindingDB Entry DOI: 10.7270/Q2V69KZF |
More data for this
Ligand-Target Pair | |
Prostate-specific antigen
(Homo sapiens (Human)) | BDBM50434142
(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 |r| 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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 142 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Johns Hopkins University
Curated by ChEMBL
| Assay Description
Inhibition of PSA (unknown origin) in RPMI in presence of 1% fetal bovine serum |
J Med Chem 56: 4224-35 (2013)
Article DOI: 10.1021/jm301718c
BindingDB Entry DOI: 10.7270/Q2V69KZF |
More data for this
Ligand-Target Pair | |
Prostate-specific antigen
(Homo sapiens (Human)) | BDBM50434154
(CHEMBL2381667)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](Cc1ccccc1)B(O)O |r| Show InChI InChI=1S/C34H51BN6O10/c1-2-3-16-25(31(45)41-29(35(49)50)19-23-12-6-4-7-13-23)37-30(44)26(17-10-11-18-36)38-32(46)27(20-42)39-33(47)28(21-43)40-34(48)51-22-24-14-8-5-9-15-24/h4-9,12-15,25-29,42-43,49-50H,2-3,10-11,16-22,36H2,1H3,(H,37,44)(H,38,46)(H,39,47)(H,40,48)(H,41,45)/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
| 165 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 |
J Med Chem 56: 4224-35 (2013)
Article DOI: 10.1021/jm301718c
BindingDB Entry DOI: 10.7270/Q2V69KZF |
More data for this
Ligand-Target Pair | |
Prostate-specific antigen
(Homo sapiens (Human)) | BDBM50434144
(CHEMBL2381659)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](Cc1ccccc1)B(O)O |r| Show InChI InChI=1S/C42H60BN7O9/c1-2-3-16-33(41(56)50-36(43(58)59)25-28-12-6-4-7-13-28)48-40(55)34(20-21-37(45)52)49-42(57)35(27-51)47-39(54)26-32(46-38(53)17-8-5-11-22-44)24-29-18-19-30-14-9-10-15-31(30)23-29/h4,6-7,9-10,12-15,18-19,23,32-36,51,58-59H,2-3,5,8,11,16-17,20-22,24-27,44H2,1H3,(H2,45,52)(H,46,53)(H,47,54)(H,48,55)(H,49,57)(H,50,56)/t32-,33-,34-,35-,36+/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
| 229 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 |
J Med Chem 56: 4224-35 (2013)
Article DOI: 10.1021/jm301718c
BindingDB Entry DOI: 10.7270/Q2V69KZF |
More data for this
Ligand-Target Pair | |
Prostate-specific antigen
(Homo sapiens (Human)) | BDBM50434150
(CHEMBL2381664)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](CCCBr)B(O)O |r| Show InChI InChI=1S/C24H46BBrN6O8/c1-2-3-8-16(23(37)32-19(25(39)40)9-7-13-26)30-22(36)17(11-12-20(28)34)31-24(38)18(15-33)29-21(35)10-5-4-6-14-27/h16-19,33,39-40H,2-15,27H2,1H3,(H2,28,34)(H,29,35)(H,30,36)(H,31,38)(H,32,37)/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
| 302 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 |
J Med Chem 56: 4224-35 (2013)
Article DOI: 10.1021/jm301718c
BindingDB Entry DOI: 10.7270/Q2V69KZF |
More data for this
Ligand-Target Pair | |
Prostate-specific antigen
(Homo sapiens (Human)) | BDBM50434149
(CHEMBL2381662)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](Cc1ccccc1)B(O)O |r| Show InChI InChI=1S/C31H52BN7O9/c1-3-4-13-22(30(45)39-25(32(47)48)18-21-11-7-5-8-12-21)36-29(44)23(15-16-26(34)41)37-31(46)24(19-40)38-28(43)20(2)35-27(42)14-9-6-10-17-33/h5,7-8,11-12,20,22-25,40,47-48H,3-4,6,9-10,13-19,33H2,1-2H3,(H2,34,41)(H,35,42)(H,36,44)(H,37,46)(H,38,43)(H,39,45)/t20-,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
| 310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 |
J Med Chem 56: 4224-35 (2013)
Article DOI: 10.1021/jm301718c
BindingDB Entry DOI: 10.7270/Q2V69KZF |
More data for this
Ligand-Target Pair | |
Prostate-specific antigen
(Homo sapiens (Human)) | BDBM50434142
(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 |r| 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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 604 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Johns Hopkins University
Curated by ChEMBL
| Assay Description
Inhibition of PSA (unknown origin) in female plasma |
J Med Chem 56: 4224-35 (2013)
Article DOI: 10.1021/jm301718c
BindingDB Entry DOI: 10.7270/Q2V69KZF |
More data for this
Ligand-Target Pair | |
Prostate-specific antigen
(Homo sapiens (Human)) | BDBM50434142
(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 |r| 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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 699 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Johns Hopkins University
Curated by ChEMBL
| Assay Description
Inhibition of PSA (unknown origin) in RPMI in presence of 1% fetal bovine serum, 1% penicillin/streptomycin, 1% L-glutamine |
J Med Chem 56: 4224-35 (2013)
Article DOI: 10.1021/jm301718c
BindingDB Entry DOI: 10.7270/Q2V69KZF |
More data for this
Ligand-Target Pair | |
Prostate-specific antigen
(Homo sapiens (Human)) | BDBM50434141
(CHEMBL2381657)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(N)=O)C=O |r| Show InChI InChI=1S/C23H43N7O8/c1-13(2)9-17(22(37)27-14(10-31)6-7-19(26)34)29-21(36)16(5-3-4-8-24)28-23(38)18(12-33)30-20(35)15(25)11-32/h10,13-18,32-33H,3-9,11-12,24-25H2,1-2H3,(H2,26,34)(H,27,37)(H,28,38)(H,29,36)(H,30,35)/t14-,15-,16-,17-,18-/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
| 4.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Johns Hopkins University
Curated by ChEMBL
| Assay Description
Inhibition of PSA (unknown origin) using Mu-SRKSQQY-AMC as substrate by fluorescence assay |
J Med Chem 56: 4224-35 (2013)
Article DOI: 10.1021/jm301718c
BindingDB Entry DOI: 10.7270/Q2V69KZF |
More data for this
Ligand-Target Pair | |
Prostate-specific antigen
(Homo sapiens (Human)) | BDBM50099216
((2S,3S)-1-[2-(3-Benzyloxycarbonyl-phenyl)-acetyl]-...)Show SMILES Oc1ccc(C[C@H]2[C@H](N(C(=O)Cc3cccc(c3)C(=O)OCc3ccccc3)C2=O)C(=O)OCc2ccccc2)cc1 Show InChI InChI=1S/C34H29NO7/c36-28-16-14-23(15-17-28)19-29-31(34(40)42-22-25-10-5-2-6-11-25)35(32(29)38)30(37)20-26-12-7-13-27(18-26)33(39)41-21-24-8-3-1-4-9-24/h1-18,29,31,36H,19-22H2/t29-,31-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 226 | n/a | n/a | n/a | n/a | n/a | n/a |
The Johns Hopkins University
Curated by ChEMBL
| Assay Description
Inhibition of PSA (unknown origin) |
J Med Chem 56: 4224-35 (2013)
Article DOI: 10.1021/jm301718c
BindingDB Entry DOI: 10.7270/Q2V69KZF |
More data for this
Ligand-Target Pair | |
Search and Browse
