Found 43 hits of Enzyme Inhibition Constant Data 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 |
|---|
Pepsin A
(Porcine) | BDBM50227343
(CHEMBL3349391)Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(C)C Show InChI InChI=1S/C37H54N6O8/c1-22(2)17-28(30(44)20-31(45)40-24(5)34(47)42-29(37(50)51-6)19-26-15-11-8-12-16-26)41-36(49)33(23(3)4)43-32(46)21-39-35(48)27(38)18-25-13-9-7-10-14-25/h7-16,22-24,27-30,33,44H,17-21,38H2,1-6H3,(H,39,48)(H,40,45)(H,41,49)(H,42,47)(H,43,46)/t24-,27-,28-,29-,30-,33-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | 4.0 | n/a |
University of Wisconsin
Curated by ChEMBL
| Assay Description
Inhibition of porcine pepsin at pH 4.0 (time-dependent inhibition, T1/2>30 s) |
J Med Chem 31: 625-9 (1988)
BindingDB Entry DOI: 10.7270/Q2B85742 |
More data for this
Ligand-Target Pair | |
Pepsin A
(Porcine) | BDBM50022520
(CHEMBL3349395 | H2N-Abu-Pro-Phe-Abu-Sta-Leu-PheOMe)Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CC(O)[C@H](CC(C)C)NC(=O)CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CCCN Show InChI InChI=1S/C46H69N7O9/c1-30(2)25-34(39(54)29-41(56)50-35(26-31(3)4)44(59)52-37(46(61)62-5)28-33-17-10-7-11-18-33)49-40(55)20-13-23-48-43(58)36(27-32-15-8-6-9-16-32)51-45(60)38-19-14-24-53(38)42(57)21-12-22-47/h6-11,15-18,30-31,34-39,54H,12-14,19-29,47H2,1-5H3,(H,48,58)(H,49,55)(H,50,56)(H,51,60)(H,52,59)/t34?,35-,36-,37-,38-,39?/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | 4.0 | n/a |
University of Wisconsin
Curated by ChEMBL
| Assay Description
Inhibition of human renin at pH 6.0 |
J Med Chem 31: 625-9 (1988)
BindingDB Entry DOI: 10.7270/Q2B85742 |
More data for this
Ligand-Target Pair | |
Pepsin A
(Porcine) | BDBM50022512
(CHEMBL3349394 | Ibu-His-Pro-Phe-Ala-Sta-Leu-PheNH2)Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C50H72N10O9/c1-29(2)21-36(42(61)26-43(62)55-38(22-30(3)4)48(67)57-37(44(51)63)23-33-15-10-8-11-16-33)56-46(65)32(7)54-47(66)39(24-34-17-12-9-13-18-34)58-49(68)41-19-14-20-60(41)50(69)40(59-45(64)31(5)6)25-35-27-52-28-53-35/h8-13,15-18,27-32,36-42,61H,14,19-26H2,1-7H3,(H2,51,63)(H,52,53)(H,54,66)(H,55,62)(H,56,65)(H,57,67)(H,58,68)(H,59,64)/t32-,36?,37-,38-,39-,40?,41-,42?/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | 4.0 | n/a |
University of Wisconsin
Curated by ChEMBL
| Assay Description
Inhibition of porcine pepsin at pH 4.0 |
J Med Chem 31: 625-9 (1988)
BindingDB Entry DOI: 10.7270/Q2B85742 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022507
(CHEMBL3349407 | H2N-His-Pro-Phe-His-Sta-Leu-PheOMe)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c[nH]cn1)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C49H68N12O8/c1-29(2)18-36(42(62)24-43(63)56-38(19-30(3)4)45(65)58-37(44(51)64)20-31-12-7-5-8-13-31)57-47(67)40(23-34-26-53-28-55-34)59-46(66)39(21-32-14-9-6-10-15-32)60-48(68)41-16-11-17-61(41)49(69)35(50)22-33-25-52-27-54-33/h5-10,12-15,25-30,35-42,62H,11,16-24,50H2,1-4H3,(H2,51,64)(H,52,54)(H,53,55)(H,56,63)(H,57,67)(H,58,65)(H,59,66)(H,60,68)/t35-,36?,37-,38-,39-,40-,41-,42?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | 7.4 | n/a |
University of Wisconsin
Curated by ChEMBL
| Assay Description
Inhibition of human renin at pH 7.4 |
J Med Chem 31: 625-9 (1988)
BindingDB Entry DOI: 10.7270/Q2B85742 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022520
(CHEMBL3349395 | H2N-Abu-Pro-Phe-Abu-Sta-Leu-PheOMe)Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CC(O)[C@H](CC(C)C)NC(=O)CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CCCN Show InChI InChI=1S/C46H69N7O9/c1-30(2)25-34(39(54)29-41(56)50-35(26-31(3)4)44(59)52-37(46(61)62-5)28-33-17-10-7-11-18-33)49-40(55)20-13-23-48-43(58)36(27-32-15-8-6-9-16-32)51-45(60)38-19-14-24-53(38)42(57)21-12-22-47/h6-11,15-18,30-31,34-39,54H,12-14,19-29,47H2,1-5H3,(H,48,58)(H,49,55)(H,50,56)(H,51,60)(H,52,59)/t34?,35-,36-,37-,38-,39?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | 7.4 | n/a |
University of Wisconsin
Curated by ChEMBL
| Assay Description
Inhibition of human renin at pH 7.4 |
J Med Chem 31: 625-9 (1988)
BindingDB Entry DOI: 10.7270/Q2B85742 |
More data for this
Ligand-Target Pair | |
Pepsin A
(Porcine) | BDBM50022517
(CHEMBL3349397 | POA-Leu-Sta-Leu-PheOMe)Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)COC(=O)C(C)(C)C Show InChI InChI=1S/C37H60N4O9/c1-22(2)16-26(40-33(45)28(18-24(5)6)39-32(44)21-50-36(48)37(7,8)9)30(42)20-31(43)38-27(17-23(3)4)34(46)41-29(35(47)49-10)19-25-14-12-11-13-15-25/h11-15,22-24,26-30,42H,16-21H2,1-10H3,(H,38,43)(H,39,44)(H,40,45)(H,41,46)/t26?,27-,28-,29-,30?/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | 4.0 | n/a |
University of Wisconsin
Curated by ChEMBL
| Assay Description
Inhibition of porcine pepsin at pH 4.0 |
J Med Chem 31: 625-9 (1988)
BindingDB Entry DOI: 10.7270/Q2B85742 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022519
(CHEMBL3349393 | Ibu-His-Pro-Phe-His-Sta-Leu-PheNH2)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C53H74N12O9/c1-31(2)20-38(45(66)26-46(67)59-40(21-32(3)4)49(70)61-39(47(54)68)22-34-14-9-7-10-15-34)60-51(72)42(24-36-27-55-29-57-36)62-50(71)41(23-35-16-11-8-12-17-35)63-52(73)44-18-13-19-65(44)53(74)43(64-48(69)33(5)6)25-37-28-56-30-58-37/h7-12,14-17,27-33,38-45,66H,13,18-26H2,1-6H3,(H2,54,68)(H,55,57)(H,56,58)(H,59,67)(H,60,72)(H,61,70)(H,62,71)(H,63,73)(H,64,69)/t38?,39-,40-,41-,42-,43?,44-,45?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | 7.4 | n/a |
University of Wisconsin
Curated by ChEMBL
| Assay Description
Inhibition of human renin at pH 7.4 |
J Med Chem 31: 625-9 (1988)
BindingDB Entry DOI: 10.7270/Q2B85742 |
More data for this
Ligand-Target Pair | |
Pepsin A
(Porcine) | BDBM50022519
(CHEMBL3349393 | Ibu-His-Pro-Phe-His-Sta-Leu-PheNH2)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C53H74N12O9/c1-31(2)20-38(45(66)26-46(67)59-40(21-32(3)4)49(70)61-39(47(54)68)22-34-14-9-7-10-15-34)60-51(72)42(24-36-27-55-29-57-36)62-50(71)41(23-35-16-11-8-12-17-35)63-52(73)44-18-13-19-65(44)53(74)43(64-48(69)33(5)6)25-37-28-56-30-58-37/h7-12,14-17,27-33,38-45,66H,13,18-26H2,1-6H3,(H2,54,68)(H,55,57)(H,56,58)(H,59,67)(H,60,72)(H,61,70)(H,62,71)(H,63,73)(H,64,69)/t38?,39-,40-,41-,42-,43?,44-,45?/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | 4.0 | n/a |
University of Wisconsin
Curated by ChEMBL
| Assay Description
Inhibition of porcine pepsin at pH 4.0 |
J Med Chem 31: 625-9 (1988)
BindingDB Entry DOI: 10.7270/Q2B85742 |
More data for this
Ligand-Target Pair | |
Pepsin A
(Porcine) | BDBM50022507
(CHEMBL3349407 | H2N-His-Pro-Phe-His-Sta-Leu-PheOMe)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c[nH]cn1)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C49H68N12O8/c1-29(2)18-36(42(62)24-43(63)56-38(19-30(3)4)45(65)58-37(44(51)64)20-31-12-7-5-8-13-31)57-47(67)40(23-34-26-53-28-55-34)59-46(66)39(21-32-14-9-6-10-15-32)60-48(68)41-16-11-17-61(41)49(69)35(50)22-33-25-52-27-54-33/h5-10,12-15,25-30,35-42,62H,11,16-24,50H2,1-4H3,(H2,51,64)(H,52,54)(H,53,55)(H,56,63)(H,57,67)(H,58,65)(H,59,66)(H,60,68)/t35-,36?,37-,38-,39-,40-,41-,42?/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 34 | n/a | n/a | n/a | n/a | n/a | n/a | 4.0 | n/a |
University of Wisconsin
Curated by ChEMBL
| Assay Description
Inhibition of porcine pepsin at pH 4.0 |
J Med Chem 31: 625-9 (1988)
BindingDB Entry DOI: 10.7270/Q2B85742 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50022517
(CHEMBL3349397 | POA-Leu-Sta-Leu-PheOMe)Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)COC(=O)C(C)(C)C Show InChI InChI=1S/C37H60N4O9/c1-22(2)16-26(40-33(45)28(18-24(5)6)39-32(44)21-50-36(48)37(7,8)9)30(42)20-31(43)38-27(17-23(3)4)34(46)41-29(35(47)49-10)19-25-14-12-11-13-15-25/h11-15,22-24,26-30,42H,16-21H2,1-10H3,(H,38,43)(H,39,44)(H,40,45)(H,41,46)/t26?,27-,28-,29-,30?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 35 | n/a | n/a | n/a | n/a | n/a | n/a | 4.0 | n/a |
University of Wisconsin
Curated by ChEMBL
| Assay Description
Inhibition of rabbit liver cathepsin D at pH 4.0 |
J Med Chem 31: 625-9 (1988)
BindingDB Entry DOI: 10.7270/Q2B85742 |
More data for this
Ligand-Target Pair | |
Pepsin A
(Porcine) | BDBM50022515
(CHEMBL3349396 | POA-His-Sta-Leu-PheOMe)Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)COC(=O)C(C)(C)C Show InChI InChI=1S/C37H56N6O9/c1-22(2)14-26(42-34(48)28(17-25-19-38-21-39-25)41-32(46)20-52-36(50)37(5,6)7)30(44)18-31(45)40-27(15-23(3)4)33(47)43-29(35(49)51-8)16-24-12-10-9-11-13-24/h9-13,19,21-23,26-30,44H,14-18,20H2,1-8H3,(H,38,39)(H,40,45)(H,41,46)(H,42,48)(H,43,47)/t26?,27-,28-,29-,30?/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 67 | n/a | n/a | n/a | n/a | n/a | n/a | 4.0 | n/a |
University of Wisconsin
Curated by ChEMBL
| Assay Description
Inhibition of porcine pepsin at pH 4.0 |
J Med Chem 31: 625-9 (1988)
BindingDB Entry DOI: 10.7270/Q2B85742 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022512
(CHEMBL3349394 | Ibu-His-Pro-Phe-Ala-Sta-Leu-PheNH2)Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C50H72N10O9/c1-29(2)21-36(42(61)26-43(62)55-38(22-30(3)4)48(67)57-37(44(51)63)23-33-15-10-8-11-16-33)56-46(65)32(7)54-47(66)39(24-34-17-12-9-13-18-34)58-49(68)41-19-14-20-60(41)50(69)40(59-45(64)31(5)6)25-35-27-52-28-53-35/h8-13,15-18,27-32,36-42,61H,14,19-26H2,1-7H3,(H2,51,63)(H,52,53)(H,54,66)(H,55,62)(H,56,65)(H,57,67)(H,58,68)(H,59,64)/t32-,36?,37-,38-,39-,40?,41-,42?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 99 | n/a | n/a | n/a | n/a | n/a | n/a | 7.4 | n/a |
University of Wisconsin
Curated by ChEMBL
| Assay Description
Inhibition of human renin at pH 7.4 |
J Med Chem 31: 625-9 (1988)
BindingDB Entry DOI: 10.7270/Q2B85742 |
More data for this
Ligand-Target Pair | |
Pepsin A
(Porcine) | BDBM50022513
(CHEMBL3349389 | H2N-Phe-Gly-His-(S,S)-Sta-Ala-Phe-...)Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](N)Cc1ccccc1 Show InChI InChI=1S/C38H52N8O8/c1-23(2)15-29(32(47)19-33(48)43-24(3)35(50)46-31(38(53)54-4)17-26-13-9-6-10-14-26)45-37(52)30(18-27-20-40-22-42-27)44-34(49)21-41-36(51)28(39)16-25-11-7-5-8-12-25/h5-14,20,22-24,28-32,47H,15-19,21,39H2,1-4H3,(H,40,42)(H,41,51)(H,43,48)(H,44,49)(H,45,52)(H,46,50)/t24-,28-,29?,30-,31-,32?/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 150 | n/a | n/a | n/a | n/a | n/a | n/a | 4.0 | n/a |
University of Wisconsin
Curated by ChEMBL
| Assay Description
Inhibition of porcine pepsin at pH 4 |
J Med Chem 31: 625-9 (1988)
BindingDB Entry DOI: 10.7270/Q2B85742 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022515
(CHEMBL3349396 | POA-His-Sta-Leu-PheOMe)Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)COC(=O)C(C)(C)C Show InChI InChI=1S/C37H56N6O9/c1-22(2)14-26(42-34(48)28(17-25-19-38-21-39-25)41-32(46)20-52-36(50)37(5,6)7)30(44)18-31(45)40-27(15-23(3)4)33(47)43-29(35(49)51-8)16-24-12-10-9-11-13-24/h9-13,19,21-23,26-30,44H,14-18,20H2,1-8H3,(H,38,39)(H,40,45)(H,41,46)(H,42,48)(H,43,47)/t26?,27-,28-,29-,30?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 7.4 | n/a |
University of Wisconsin
Curated by ChEMBL
| Assay Description
Inhibition of human renin at pH 7.4 |
J Med Chem 31: 625-9 (1988)
BindingDB Entry DOI: 10.7270/Q2B85742 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022517
(CHEMBL3349397 | POA-Leu-Sta-Leu-PheOMe)Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)COC(=O)C(C)(C)C Show InChI InChI=1S/C37H60N4O9/c1-22(2)16-26(40-33(45)28(18-24(5)6)39-32(44)21-50-36(48)37(7,8)9)30(42)20-31(43)38-27(17-23(3)4)34(46)41-29(35(47)49-10)19-25-14-12-11-13-15-25/h11-15,22-24,26-30,42H,16-21H2,1-10H3,(H,38,43)(H,39,44)(H,40,45)(H,41,46)/t26?,27-,28-,29-,30?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 7.4 | n/a |
University of Wisconsin
Curated by ChEMBL
| Assay Description
Inhibition of human renin at pH 7.4 |
J Med Chem 31: 625-9 (1988)
BindingDB Entry DOI: 10.7270/Q2B85742 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50022515
(CHEMBL3349396 | POA-His-Sta-Leu-PheOMe)Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)COC(=O)C(C)(C)C Show InChI InChI=1S/C37H56N6O9/c1-22(2)14-26(42-34(48)28(17-25-19-38-21-39-25)41-32(46)20-52-36(50)37(5,6)7)30(44)18-31(45)40-27(15-23(3)4)33(47)43-29(35(49)51-8)16-24-12-10-9-11-13-24/h9-13,19,21-23,26-30,44H,14-18,20H2,1-8H3,(H,38,39)(H,40,45)(H,41,46)(H,42,48)(H,43,47)/t26?,27-,28-,29-,30?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 4.0 | n/a |
University of Wisconsin
Curated by ChEMBL
| Assay Description
Inhibition of rabbit liver cathepsin D at pH 4.0 |
J Med Chem 31: 625-9 (1988)
BindingDB Entry DOI: 10.7270/Q2B85742 |
More data for this
Ligand-Target Pair | |
Pepsin A
(Porcine) | BDBM50022523
(CHEMBL347185 | H2N-Phe-Gly-His-Nph-Phe-Ala-Phe-OMe)Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](N)Cc1ccccc1 Show InChI InChI=1S/C48H54N10O10/c1-30(43(60)57-41(48(65)68-2)25-33-16-10-5-11-17-33)53-45(62)38(23-32-14-8-4-9-15-32)55-46(63)39(24-34-18-20-36(21-19-34)58(66)67)56-47(64)40(26-35-27-50-29-52-35)54-42(59)28-51-44(61)37(49)22-31-12-6-3-7-13-31/h3-21,27,29-30,37-41H,22-26,28,49H2,1-2H3,(H,50,52)(H,51,61)(H,53,62)(H,54,59)(H,55,63)(H,56,64)(H,57,60)/t30-,37-,38-,39-,40-,41-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
| PubMed
| 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | 4.0 | n/a |
University of Wisconsin
Curated by ChEMBL
| Assay Description
Inhibition of porcine pepsin at pH 4 |
J Med Chem 31: 625-9 (1988)
BindingDB Entry DOI: 10.7270/Q2B85742 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Bos taurus) | BDBM50022521
(Boc-Phe-His-Cha-CH2-S-Leu-NHCO(CH2)2C6H5 | CHEMBL3...)Show SMILES CC(C)CC(NC(=O)CCc1ccccc1)SCC(O)C(CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C44H64N6O6S/c1-30(2)23-40(50-39(52)22-21-31-15-9-6-10-16-31)57-28-38(51)35(24-32-17-11-7-12-18-32)47-42(54)37(26-34-27-45-29-46-34)48-41(53)36(25-33-19-13-8-14-20-33)49-43(55)56-44(3,4)5/h6,8-10,13-16,19-20,27,29-30,32,35-38,40,51H,7,11-12,17-18,21-26,28H2,1-5H3,(H,45,46)(H,47,54)(H,48,53)(H,49,55)(H,50,52)/t35?,36-,37-,38?,40?/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >1 | n/a | n/a | n/a | n/a | 3.2 | n/a |
University of Wisconsin
Curated by ChEMBL
| Assay Description
Inhibition of bovine cathepsin D at pH 3.1 |
J Med Chem 31: 625-9 (1988)
BindingDB Entry DOI: 10.7270/Q2B85742 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Bos taurus) | BDBM50022518
(CHEMBL407670 | Pro-His-Pro-Phe-His-Leu-CH2NH-Val-I...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(O)=O Show InChI InChI=1S/C60H91N17O10/c1-7-37(6)51(58(84)74-47(26-40-29-63-33-68-40)55(81)71-44(60(86)87)17-11-12-20-61)76-57(83)50(36(4)5)66-31-42(23-35(2)3)70-53(79)46(25-39-28-62-32-67-39)72-54(80)45(24-38-15-9-8-10-16-38)73-56(82)49-19-14-22-77(49)59(85)48(27-41-30-64-34-69-41)75-52(78)43-18-13-21-65-43/h8-10,15-16,28-30,32-37,42-51,65-66H,7,11-14,17-27,31,61H2,1-6H3,(H,62,67)(H,63,68)(H,64,69)(H,70,79)(H,71,81)(H,72,80)(H,73,82)(H,74,84)(H,75,78)(H,76,83)(H,86,87)/t37-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | 3.3 | n/a |
University of Wisconsin
Curated by ChEMBL
| Assay Description
Inhibition of bovine cathepsin D at pH 3.3(no inhibition) |
J Med Chem 31: 625-9 (1988)
BindingDB Entry DOI: 10.7270/Q2B85742 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022518
(CHEMBL407670 | Pro-His-Pro-Phe-His-Leu-CH2NH-Val-I...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(O)=O Show InChI InChI=1S/C60H91N17O10/c1-7-37(6)51(58(84)74-47(26-40-29-63-33-68-40)55(81)71-44(60(86)87)17-11-12-20-61)76-57(83)50(36(4)5)66-31-42(23-35(2)3)70-53(79)46(25-39-28-62-32-67-39)72-54(80)45(24-38-15-9-8-10-16-38)73-56(82)49-19-14-22-77(49)59(85)48(27-41-30-64-34-69-41)75-52(78)43-18-13-21-65-43/h8-10,15-16,28-30,32-37,42-51,65-66H,7,11-14,17-27,31,61H2,1-6H3,(H,62,67)(H,63,68)(H,64,69)(H,70,79)(H,71,81)(H,72,80)(H,73,82)(H,74,84)(H,75,78)(H,76,83)(H,86,87)/t37-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | 7.0 | n/a |
University of Wisconsin
Curated by ChEMBL
| Assay Description
Inhibition of human renin at pH 7.0 |
J Med Chem 31: 625-9 (1988)
BindingDB Entry DOI: 10.7270/Q2B85742 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022510
(Boc-Phe-His-Leu-CF3-Ile-Amp | CHEMBL154795)Show SMILES CC[C@H](C)[C@H](NC(=O)C(F)(F)C(=O)C(CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C40H54F2N8O7/c1-8-25(4)32(36(54)45-22-27-16-12-13-17-44-27)50-37(55)40(41,42)33(51)29(18-24(2)3)47-35(53)31(20-28-21-43-23-46-28)48-34(52)30(19-26-14-10-9-11-15-26)49-38(56)57-39(5,6)7/h9-17,21,23-25,29-32H,8,18-20,22H2,1-7H3,(H,43,46)(H,45,54)(H,47,53)(H,48,52)(H,49,56)(H,50,55)/t25-,29?,30-,31-,32-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | 7.0 | n/a |
University of Wisconsin
Curated by ChEMBL
| Assay Description
Inhibition of human renin at pH 7.0 |
J Med Chem 31: 625-9 (1988)
BindingDB Entry DOI: 10.7270/Q2B85742 |
More data for this
Ligand-Target Pair | |
Pepsin A
(Porcine) | BDBM50022521
(Boc-Phe-His-Cha-CH2-S-Leu-NHCO(CH2)2C6H5 | CHEMBL3...)Show SMILES CC(C)CC(NC(=O)CCc1ccccc1)SCC(O)C(CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C44H64N6O6S/c1-30(2)23-40(50-39(52)22-21-31-15-9-6-10-16-31)57-28-38(51)35(24-32-17-11-7-12-18-32)47-42(54)37(26-34-27-45-29-46-34)48-41(53)36(25-33-19-13-8-14-20-33)49-43(55)56-44(3,4)5/h6,8-10,13-16,19-20,27,29-30,32,35-38,40,51H,7,11-12,17-18,21-26,28H2,1-5H3,(H,45,46)(H,47,54)(H,48,53)(H,49,55)(H,50,52)/t35?,36-,37-,38?,40?/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >1 | n/a | n/a | n/a | n/a | 1.9 | n/a |
University of Wisconsin
Curated by ChEMBL
| Assay Description
Inhibition of porcine pepsin at pH 1.9 |
J Med Chem 31: 625-9 (1988)
BindingDB Entry DOI: 10.7270/Q2B85742 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022510
(Boc-Phe-His-Leu-CF3-Ile-Amp | CHEMBL154795)Show SMILES CC[C@H](C)[C@H](NC(=O)C(F)(F)C(=O)C(CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C40H54F2N8O7/c1-8-25(4)32(36(54)45-22-27-16-12-13-17-44-27)50-37(55)40(41,42)33(51)29(18-24(2)3)47-35(53)31(20-28-21-43-23-46-28)48-34(52)30(19-26-14-10-9-11-15-26)49-38(56)57-39(5,6)7/h9-17,21,23-25,29-32H,8,18-20,22H2,1-7H3,(H,43,46)(H,45,54)(H,47,53)(H,48,52)(H,49,56)(H,50,55)/t25-,29?,30-,31-,32-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | 6.0 | n/a |
University of Wisconsin
Curated by ChEMBL
| Assay Description
Inhibition of human renin at pH 6.0 |
J Med Chem 31: 625-9 (1988)
BindingDB Entry DOI: 10.7270/Q2B85742 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50025903
(4-(2-{4-[2-(2-tert-Butoxycarbonylamino-3-phenyl-pr...)Show SMILES COC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C40H63N7O10/c1-23(2)15-28(32(48)19-34(50)43-25(5)36(52)44-29(16-24(3)4)33(49)20-35(51)56-9)45-38(54)31(18-27-21-41-22-42-27)46-37(53)30(17-26-13-11-10-12-14-26)47-39(55)57-40(6,7)8/h10-14,21-25,28-33,48-49H,15-20H2,1-9H3,(H,41,42)(H,43,50)(H,44,52)(H,45,54)(H,46,53)(H,47,55)/t25-,28-,29-,30-,31-,32?,33?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | 7.4 | n/a |
University of Wisconsin
Curated by ChEMBL
| Assay Description
Inhibition of human renin at pH 6.0 |
J Med Chem 31: 625-9 (1988)
BindingDB Entry DOI: 10.7270/Q2B85742 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50025903
(4-(2-{4-[2-(2-tert-Butoxycarbonylamino-3-phenyl-pr...)Show SMILES COC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C40H63N7O10/c1-23(2)15-28(32(48)19-34(50)43-25(5)36(52)44-29(16-24(3)4)33(49)20-35(51)56-9)45-38(54)31(18-27-21-41-22-42-27)46-37(53)30(17-26-13-11-10-12-14-26)47-39(55)57-40(6,7)8/h10-14,21-25,28-33,48-49H,15-20H2,1-9H3,(H,41,42)(H,43,50)(H,44,52)(H,45,54)(H,46,53)(H,47,55)/t25-,28-,29-,30-,31-,32?,33?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | 6.0 | n/a |
University of Wisconsin
Curated by ChEMBL
| Assay Description
Inhibition of human renin at pH 6.0 |
J Med Chem 31: 625-9 (1988)
BindingDB Entry DOI: 10.7270/Q2B85742 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Bos taurus) | BDBM50022510
(Boc-Phe-His-Leu-CF3-Ile-Amp | CHEMBL154795)Show SMILES CC[C@H](C)[C@H](NC(=O)C(F)(F)C(=O)C(CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C40H54F2N8O7/c1-8-25(4)32(36(54)45-22-27-16-12-13-17-44-27)50-37(55)40(41,42)33(51)29(18-24(2)3)47-35(53)31(20-28-21-43-23-46-28)48-34(52)30(19-26-14-10-9-11-15-26)49-38(56)57-39(5,6)7/h9-17,21,23-25,29-32H,8,18-20,22H2,1-7H3,(H,43,46)(H,45,54)(H,47,53)(H,48,52)(H,49,56)(H,50,55)/t25-,29?,30-,31-,32-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | 3.2 | n/a |
University of Wisconsin
Curated by ChEMBL
| Assay Description
Inhibition of human pepsin at pH 3.1 |
J Med Chem 31: 625-9 (1988)
BindingDB Entry DOI: 10.7270/Q2B85742 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022508
(Boc-Pro-Phe-NMe-His-Leu-OHCH2-Val-Ile-Amp | CHEMBL...)Show SMILES CC[C@H](C)[C@H](NC(=O)C(CC(O)C(CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C50H75N9O8/c1-11-33(6)43(47(64)53-29-35-20-15-16-22-52-35)57-44(61)37(32(4)5)27-42(60)38(24-31(2)3)55-46(63)41(26-36-28-51-30-54-36)58(10)48(65)39(25-34-18-13-12-14-19-34)56-45(62)40-21-17-23-59(40)49(66)67-50(7,8)9/h12-16,18-20,22,28,30-33,37-43,60H,11,17,21,23-27,29H2,1-10H3,(H,51,54)(H,53,64)(H,55,63)(H,56,62)(H,57,61)/t33-,37?,38?,39-,40-,41-,42?,43-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | 7.4 | n/a |
University of Wisconsin
Curated by ChEMBL
| Assay Description
Inhibition of human renin at pH 6.0 |
J Med Chem 31: 625-9 (1988)
BindingDB Entry DOI: 10.7270/Q2B85742 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022509
(Boc-Phe-Phe-Sta-Ala-Sta-OMe | CHEMBL3349390)Show SMILES COC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C43H65N5O10/c1-26(2)20-31(35(49)24-37(51)44-28(5)39(53)45-32(21-27(3)4)36(50)25-38(52)57-9)46-40(54)33(22-29-16-12-10-13-17-29)47-41(55)34(23-30-18-14-11-15-19-30)48-42(56)58-43(6,7)8/h10-19,26-28,31-36,49-50H,20-25H2,1-9H3,(H,44,51)(H,45,53)(H,46,54)(H,47,55)(H,48,56)/t28-,31?,32?,33-,34-,35?,36?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | 7.4 | n/a |
University of Wisconsin
Curated by ChEMBL
| Assay Description
Inhibition of human renin at pH 6.0 |
J Med Chem 31: 625-9 (1988)
BindingDB Entry DOI: 10.7270/Q2B85742 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Bos taurus) | BDBM50022510
(Boc-Phe-His-Leu-CF3-Ile-Amp | CHEMBL154795)Show SMILES CC[C@H](C)[C@H](NC(=O)C(F)(F)C(=O)C(CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C40H54F2N8O7/c1-8-25(4)32(36(54)45-22-27-16-12-13-17-44-27)50-37(55)40(41,42)33(51)29(18-24(2)3)47-35(53)31(20-28-21-43-23-46-28)48-34(52)30(19-26-14-10-9-11-15-26)49-38(56)57-39(5,6)7/h9-17,21,23-25,29-32H,8,18-20,22H2,1-7H3,(H,43,46)(H,45,54)(H,47,53)(H,48,52)(H,49,56)(H,50,55)/t25-,29?,30-,31-,32-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | 3.2 | n/a |
University of Wisconsin
Curated by ChEMBL
| Assay Description
Inhibition of bovine cathepsin D at pH 3.1 |
J Med Chem 31: 625-9 (1988)
BindingDB Entry DOI: 10.7270/Q2B85742 |
More data for this
Ligand-Target Pair | |
Pepsin A-5
(Homo sapiens (Human)) | BDBM50022510
(Boc-Phe-His-Leu-CF3-Ile-Amp | CHEMBL154795)Show SMILES CC[C@H](C)[C@H](NC(=O)C(F)(F)C(=O)C(CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C40H54F2N8O7/c1-8-25(4)32(36(54)45-22-27-16-12-13-17-44-27)50-37(55)40(41,42)33(51)29(18-24(2)3)47-35(53)31(20-28-21-43-23-46-28)48-34(52)30(19-26-14-10-9-11-15-26)49-38(56)57-39(5,6)7/h9-17,21,23-25,29-32H,8,18-20,22H2,1-7H3,(H,43,46)(H,45,54)(H,47,53)(H,48,52)(H,49,56)(H,50,55)/t25-,29?,30-,31-,32-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | 3.1 | n/a |
University of Wisconsin
Curated by ChEMBL
| Assay Description
Inhibition of human pepsin at pH 2.0 |
J Med Chem 31: 625-9 (1988)
BindingDB Entry DOI: 10.7270/Q2B85742 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022511
(Boc-Trp-His-Sta-Ala-Sta-OMe | CHEMBL3349392)Show SMILES COC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C Show InChI InChI=1S/C42H64N8O10/c1-23(2)14-30(34(51)18-36(53)46-25(5)38(55)47-31(15-24(3)4)35(52)19-37(54)59-9)48-40(57)33(17-27-21-43-22-45-27)49-39(56)32(50-41(58)60-42(6,7)8)16-26-20-44-29-13-11-10-12-28(26)29/h10-13,20-25,30-35,44,51-52H,14-19H2,1-9H3,(H,43,45)(H,46,53)(H,47,55)(H,48,57)(H,49,56)(H,50,58)/t25-,30?,31?,32-,33-,34?,35?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | 7.4 | n/a |
University of Wisconsin
Curated by ChEMBL
| Assay Description
Inhibition of human renin at pH 6.0 |
J Med Chem 31: 625-9 (1988)
BindingDB Entry DOI: 10.7270/Q2B85742 |
More data for this
Ligand-Target Pair | |
Pepsin A-5
(Homo sapiens (Human)) | BDBM50022510
(Boc-Phe-His-Leu-CF3-Ile-Amp | CHEMBL154795)Show SMILES CC[C@H](C)[C@H](NC(=O)C(F)(F)C(=O)C(CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C40H54F2N8O7/c1-8-25(4)32(36(54)45-22-27-16-12-13-17-44-27)50-37(55)40(41,42)33(51)29(18-24(2)3)47-35(53)31(20-28-21-43-23-46-28)48-34(52)30(19-26-14-10-9-11-15-26)49-38(56)57-39(5,6)7/h9-17,21,23-25,29-32H,8,18-20,22H2,1-7H3,(H,43,46)(H,45,54)(H,47,53)(H,48,52)(H,49,56)(H,50,55)/t25-,29?,30-,31-,32-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | 3.1 | n/a |
University of Wisconsin
Curated by ChEMBL
| Assay Description
Inhibition of bovine cathepsin D at pH 3.2 |
J Med Chem 31: 625-9 (1988)
BindingDB Entry DOI: 10.7270/Q2B85742 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Bos taurus) | BDBM50022508
(Boc-Pro-Phe-NMe-His-Leu-OHCH2-Val-Ile-Amp | CHEMBL...)Show SMILES CC[C@H](C)[C@H](NC(=O)C(CC(O)C(CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C50H75N9O8/c1-11-33(6)43(47(64)53-29-35-20-15-16-22-52-35)57-44(61)37(32(4)5)27-42(60)38(24-31(2)3)55-46(63)41(26-36-28-51-30-54-36)58(10)48(65)39(25-34-18-13-12-14-19-34)56-45(62)40-21-17-23-59(40)49(66)67-50(7,8)9/h12-16,18-20,22,28,30-33,37-43,60H,11,17,21,23-27,29H2,1-10H3,(H,51,54)(H,53,64)(H,55,63)(H,56,62)(H,57,61)/t33-,37?,38?,39-,40-,41-,42?,43-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | 3.2 | n/a |
University of Wisconsin
Curated by ChEMBL
| Assay Description
Inhibition of bovine cathepsin D at pH 3.2 |
J Med Chem 31: 625-9 (1988)
BindingDB Entry DOI: 10.7270/Q2B85742 |
More data for this
Ligand-Target Pair | |
Pepsin A
(Porcine) | BDBM50022508
(Boc-Pro-Phe-NMe-His-Leu-OHCH2-Val-Ile-Amp | CHEMBL...)Show SMILES CC[C@H](C)[C@H](NC(=O)C(CC(O)C(CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C50H75N9O8/c1-11-33(6)43(47(64)53-29-35-20-15-16-22-52-35)57-44(61)37(32(4)5)27-42(60)38(24-31(2)3)55-46(63)41(26-36-28-51-30-54-36)58(10)48(65)39(25-34-18-13-12-14-19-34)56-45(62)40-21-17-23-59(40)49(66)67-50(7,8)9/h12-16,18-20,22,28,30-33,37-43,60H,11,17,21,23-27,29H2,1-10H3,(H,51,54)(H,53,64)(H,55,63)(H,56,62)(H,57,61)/t33-,37?,38?,39-,40-,41-,42?,43-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6.80 | n/a | n/a | n/a | n/a | 2.0 | n/a |
University of Wisconsin
Curated by ChEMBL
| Assay Description
Inhibition of porcine pepsin at pH 2.0 |
J Med Chem 31: 625-9 (1988)
BindingDB Entry DOI: 10.7270/Q2B85742 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022521
(Boc-Phe-His-Cha-CH2-S-Leu-NHCO(CH2)2C6H5 | CHEMBL3...)Show SMILES CC(C)CC(NC(=O)CCc1ccccc1)SCC(O)C(CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C44H64N6O6S/c1-30(2)23-40(50-39(52)22-21-31-15-9-6-10-16-31)57-28-38(51)35(24-32-17-11-7-12-18-32)47-42(54)37(26-34-27-45-29-46-34)48-41(53)36(25-33-19-13-8-14-20-33)49-43(55)56-44(3,4)5/h6,8-10,13-16,19-20,27,29-30,32,35-38,40,51H,7,11-12,17-18,21-26,28H2,1-5H3,(H,45,46)(H,47,54)(H,48,53)(H,49,55)(H,50,52)/t35?,36-,37-,38?,40?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | 7.4 | n/a |
University of Wisconsin
Curated by ChEMBL
| Assay Description
Inhibition of human renin at pH 6.0 |
J Med Chem 31: 625-9 (1988)
BindingDB Entry DOI: 10.7270/Q2B85742 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50421761
(CHEMBL2311113)Show SMILES COC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(C)C Show InChI InChI=1S/C42H63N5O10/c1-25(2)19-31(34(48)22-36(50)43-28(7)39(52)44-32(20-26(3)4)35(49)23-37(51)56-8)45-41(54)38(27(5)6)47-40(53)33(21-29-15-11-9-12-16-29)46-42(55)57-24-30-17-13-10-14-18-30/h9-18,25-28,31-35,38,48-49H,19-24H2,1-8H3,(H,43,50)(H,44,52)(H,45,54)(H,46,55)(H,47,53)/t28-,31-,32-,33-,34?,35?,38-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | 7.4 | n/a |
University of Wisconsin
Curated by ChEMBL
| Assay Description
Inhibition of human renin at pH 6.0 |
J Med Chem 31: 625-9 (1988)
BindingDB Entry DOI: 10.7270/Q2B85742 |
More data for this
Ligand-Target Pair | |
Pepsin A
(Porcine) | BDBM50022509
(Boc-Phe-Phe-Sta-Ala-Sta-OMe | CHEMBL3349390)Show SMILES COC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C43H65N5O10/c1-26(2)20-31(35(49)24-37(51)44-28(5)39(53)45-32(21-27(3)4)36(50)25-38(52)57-9)46-40(54)33(22-29-16-12-10-13-17-29)47-41(55)34(23-30-18-14-11-15-19-30)48-42(56)58-43(6,7)8/h10-19,26-28,31-36,49-50H,20-25H2,1-9H3,(H,44,51)(H,45,53)(H,46,54)(H,47,55)(H,48,56)/t28-,31?,32?,33-,34-,35?,36?/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | 2.0 | n/a |
University of Wisconsin
Curated by ChEMBL
| Assay Description
Inhibition of porcine pepsin at pH 2.0 |
J Med Chem 31: 625-9 (1988)
BindingDB Entry DOI: 10.7270/Q2B85742 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022516
(Boc-Trp-Trp-Sta-Ala-Sta-OMe | CHEMBL3142766)Show SMILES COC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C Show InChI InChI=1S/C47H67N7O10/c1-26(2)18-35(39(55)22-41(57)50-28(5)43(59)51-36(19-27(3)4)40(56)23-42(58)63-9)52-44(60)37(20-29-24-48-33-16-12-10-14-31(29)33)53-45(61)38(54-46(62)64-47(6,7)8)21-30-25-49-34-17-13-11-15-32(30)34/h10-17,24-28,35-40,48-49,55-56H,18-23H2,1-9H3,(H,50,57)(H,51,59)(H,52,60)(H,53,61)(H,54,62)/t28-,35?,36?,37-,38-,39?,40?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | 7.4 | n/a |
University of Wisconsin
Curated by ChEMBL
| Assay Description
Inhibition of human renin at pH 6.0 |
J Med Chem 31: 625-9 (1988)
BindingDB Entry DOI: 10.7270/Q2B85742 |
More data for this
Ligand-Target Pair | |
Pepsin A
(Porcine) | BDBM50421761
(CHEMBL2311113)Show SMILES COC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(C)C Show InChI InChI=1S/C42H63N5O10/c1-25(2)19-31(34(48)22-36(50)43-28(7)39(52)44-32(20-26(3)4)35(49)23-37(51)56-8)45-41(54)38(27(5)6)47-40(53)33(21-29-15-11-9-12-16-29)46-42(55)57-24-30-17-13-10-14-18-30/h9-18,25-28,31-35,38,48-49H,19-24H2,1-8H3,(H,43,50)(H,44,52)(H,45,54)(H,46,55)(H,47,53)/t28-,31-,32-,33-,34?,35?,38-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | 2.0 | n/a |
University of Wisconsin
Curated by ChEMBL
| Assay Description
Inhibition of porcine pepsin at pH 2.0 |
J Med Chem 31: 625-9 (1988)
BindingDB Entry DOI: 10.7270/Q2B85742 |
More data for this
Ligand-Target Pair | |
Pepsin A
(Porcine) | BDBM50022516
(Boc-Trp-Trp-Sta-Ala-Sta-OMe | CHEMBL3142766)Show SMILES COC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C Show InChI InChI=1S/C47H67N7O10/c1-26(2)18-35(39(55)22-41(57)50-28(5)43(59)51-36(19-27(3)4)40(56)23-42(58)63-9)52-44(60)37(20-29-24-48-33-16-12-10-14-31(29)33)53-45(61)38(54-46(62)64-47(6,7)8)21-30-25-49-34-17-13-11-15-32(30)34/h10-17,24-28,35-40,48-49,55-56H,18-23H2,1-9H3,(H,50,57)(H,51,59)(H,52,60)(H,53,61)(H,54,62)/t28-,35?,36?,37-,38-,39?,40?/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | 2.0 | n/a |
University of Wisconsin
Curated by ChEMBL
| Assay Description
Inhibition of porcine pepsin at pH 2.0 |
J Med Chem 31: 625-9 (1988)
BindingDB Entry DOI: 10.7270/Q2B85742 |
More data for this
Ligand-Target Pair | |
Pepsin A
(Porcine) | BDBM50022511
(Boc-Trp-His-Sta-Ala-Sta-OMe | CHEMBL3349392)Show SMILES COC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C Show InChI InChI=1S/C42H64N8O10/c1-23(2)14-30(34(51)18-36(53)46-25(5)38(55)47-31(15-24(3)4)35(52)19-37(54)59-9)48-40(57)33(17-27-21-43-22-45-27)49-39(56)32(50-41(58)60-42(6,7)8)16-26-20-44-29-13-11-10-12-28(26)29/h10-13,20-25,30-35,44,51-52H,14-19H2,1-9H3,(H,43,45)(H,46,53)(H,47,55)(H,48,57)(H,49,56)(H,50,58)/t25-,30?,31?,32-,33-,34?,35?/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 850 | n/a | n/a | n/a | n/a | 2.0 | n/a |
University of Wisconsin
Curated by ChEMBL
| Assay Description
Inhibition of porcine pepsin at pH 2.0 |
J Med Chem 31: 625-9 (1988)
BindingDB Entry DOI: 10.7270/Q2B85742 |
More data for this
Ligand-Target Pair | |
Pepsin A
(Porcine) | BDBM50025903
(4-(2-{4-[2-(2-tert-Butoxycarbonylamino-3-phenyl-pr...)Show SMILES COC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C40H63N7O10/c1-23(2)15-28(32(48)19-34(50)43-25(5)36(52)44-29(16-24(3)4)33(49)20-35(51)56-9)45-38(54)31(18-27-21-41-22-42-27)46-37(53)30(17-26-13-11-10-12-14-26)47-39(55)57-40(6,7)8/h10-14,21-25,28-33,48-49H,15-20H2,1-9H3,(H,41,42)(H,43,50)(H,44,52)(H,45,54)(H,46,53)(H,47,55)/t25-,28-,29-,30-,31-,32?,33?/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | 2.0 | n/a |
University of Wisconsin
Curated by ChEMBL
| Assay Description
Inhibition of porcine pepsin at pH 2.0 |
J Med Chem 31: 625-9 (1988)
BindingDB Entry DOI: 10.7270/Q2B85742 |
More data for this
Ligand-Target Pair | |
Pepsin A
(Porcine) | BDBM50025903
(4-(2-{4-[2-(2-tert-Butoxycarbonylamino-3-phenyl-pr...)Show SMILES COC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C40H63N7O10/c1-23(2)15-28(32(48)19-34(50)43-25(5)36(52)44-29(16-24(3)4)33(49)20-35(51)56-9)45-38(54)31(18-27-21-41-22-42-27)46-37(53)30(17-26-13-11-10-12-14-26)47-39(55)57-40(6,7)8/h10-14,21-25,28-33,48-49H,15-20H2,1-9H3,(H,41,42)(H,43,50)(H,44,52)(H,45,54)(H,46,53)(H,47,55)/t25-,28-,29-,30-,31-,32?,33?/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | 2.0 | n/a |
University of Wisconsin
Curated by ChEMBL
| Assay Description
Inhibition of porcine pepsin at pH 2.0 |
J Med Chem 31: 625-9 (1988)
BindingDB Entry DOI: 10.7270/Q2B85742 |
More data for this
Ligand-Target Pair | |
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