Found 16 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 |
|---|
Renin
(Homo sapiens (Human)) | BDBM50008524
(CHEMBL152610 | Methyl-{2-[methyl-(morpholine-4-car...)Show SMILES CN(CCN(C)C(=O)N1CCOCC1)C(=O)O[C@@H](Cc1ccccc1)C(=O)NC(Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO Show InChI InChI=1S/C38H59N7O11/c1-43(37(53)45-15-17-55-18-16-45)13-14-44(2)38(54)56-31(20-26-11-7-4-8-12-26)36(52)42-29(21-27-22-39-24-40-27)35(51)41-28(19-25-9-5-3-6-10-25)32(48)34(50)33(49)30(47)23-46/h4,7-8,11-12,22,24-25,28-34,46-50H,3,5-6,9-10,13-21,23H2,1-2H3,(H,39,40)(H,41,51)(H,42,52)/t28-,29?,30+,31-,32+,33+,34+/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 | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of human plasma renin |
J Med Chem 35: 559-67 (1992)
BindingDB Entry DOI: 10.7270/Q24748TV |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50008524
(CHEMBL152610 | Methyl-{2-[methyl-(morpholine-4-car...)Show SMILES CN(CCN(C)C(=O)N1CCOCC1)C(=O)O[C@@H](Cc1ccccc1)C(=O)NC(Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO Show InChI InChI=1S/C38H59N7O11/c1-43(37(53)45-15-17-55-18-16-45)13-14-44(2)38(54)56-31(20-26-11-7-4-8-12-26)36(52)42-29(21-27-22-39-24-40-27)35(51)41-28(19-25-9-5-3-6-10-25)32(48)34(50)33(49)30(47)23-46/h4,7-8,11-12,22,24-25,28-34,46-50H,3,5-6,9-10,13-21,23H2,1-2H3,(H,39,40)(H,41,51)(H,42,52)/t28-,29?,30+,31-,32+,33+,34+/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 | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of human kidney renin |
J Med Chem 35: 559-67 (1992)
BindingDB Entry DOI: 10.7270/Q24748TV |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50008520
(2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3,4,5,6-pentah...)Show SMILES CC(C)(C)S(=O)(=O)CC(Cc1ccccc1)C(=O)NC(Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO Show InChI InChI=1S/C33H52N4O9S/c1-33(2,3)47(45,46)19-23(14-21-10-6-4-7-11-21)31(43)37-26(16-24-17-34-20-35-24)32(44)36-25(15-22-12-8-5-9-13-22)28(40)30(42)29(41)27(39)18-38/h4,6-7,10-11,17,20,22-23,25-30,38-42H,5,8-9,12-16,18-19H2,1-3H3,(H,34,35)(H,36,44)(H,37,43)/t23?,25-,26?,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
| n/a | n/a | 4.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of human plasma renin |
J Med Chem 35: 559-67 (1992)
BindingDB Entry DOI: 10.7270/Q24748TV |
More data for this
Ligand-Target Pair | 
3D Structure (docked) |
Renin
(Homo sapiens (Human)) | BDBM50008520
(2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3,4,5,6-pentah...)Show SMILES CC(C)(C)S(=O)(=O)CC(Cc1ccccc1)C(=O)NC(Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO Show InChI InChI=1S/C33H52N4O9S/c1-33(2,3)47(45,46)19-23(14-21-10-6-4-7-11-21)31(43)37-26(16-24-17-34-20-35-24)32(44)36-25(15-22-12-8-5-9-13-22)28(40)30(42)29(41)27(39)18-38/h4,6-7,10-11,17,20,22-23,25-30,38-42H,5,8-9,12-16,18-19H2,1-3H3,(H,34,35)(H,36,44)(H,37,43)/t23?,25-,26?,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
| n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of human plasma renin |
J Med Chem 35: 559-67 (1992)
BindingDB Entry DOI: 10.7270/Q24748TV |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Renin
(Homo sapiens (Human)) | BDBM50008520
(2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3,4,5,6-pentah...)Show SMILES CC(C)(C)S(=O)(=O)CC(Cc1ccccc1)C(=O)NC(Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO Show InChI InChI=1S/C33H52N4O9S/c1-33(2,3)47(45,46)19-23(14-21-10-6-4-7-11-21)31(43)37-26(16-24-17-34-20-35-24)32(44)36-25(15-22-12-8-5-9-13-22)28(40)30(42)29(41)27(39)18-38/h4,6-7,10-11,17,20,22-23,25-30,38-42H,5,8-9,12-16,18-19H2,1-3H3,(H,34,35)(H,36,44)(H,37,43)/t23?,25-,26?,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
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of human kidney renin |
J Med Chem 35: 559-67 (1992)
BindingDB Entry DOI: 10.7270/Q24748TV |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Renin
(Homo sapiens (Human)) | BDBM50008522
(4-Amino-cyclohexanecarboxylic acid {1-[1-(1-cycloh...)Show SMILES N[C@H]1CC[C@H](CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO |wU:31.33,10.10,4.7,41.45,43.47,1.0,wD:39.43,45.49,(13.3,-11.59,;11.83,-11.13,;10.7,-12.18,;9.21,-11.73,;8.89,-10.22,;10.03,-9.18,;11.48,-9.64,;7.42,-9.77,;6.25,-10.76,;7.15,-8.26,;5.7,-7.72,;4.52,-8.72,;3.05,-8.27,;2.7,-6.76,;1.22,-6.32,;.1,-7.38,;.45,-8.88,;1.92,-9.33,;5.43,-6.22,;6.61,-5.22,;3.98,-5.69,;3.98,-4.05,;2.74,-3.19,;1.5,-4.1,;1.5,-5.63,;.05,-6.13,;-.86,-4.92,;.03,-3.63,;5.49,-3.32,;5.44,-2.02,;6.95,-3.16,;8.28,-2.39,;8.28,-.85,;6.95,-.08,;5.59,-.85,;4.28,-.05,;4.28,1.49,;5.63,2.24,;6.95,1.47,;9.61,-3.16,;9.61,-4.7,;10.94,-2.39,;10.94,-.85,;12.28,-3.16,;12.28,-4.7,;13.62,-2.39,;13.62,-.85,;14.96,-3.16,;16.3,-2.39,)| Show InChI InChI=1S/C35H54N6O8/c36-24-13-11-23(12-14-24)33(47)40-27(16-22-9-5-2-6-10-22)34(48)41-28(17-25-18-37-20-38-25)35(49)39-26(15-21-7-3-1-4-8-21)30(44)32(46)31(45)29(43)19-42/h2,5-6,9-10,18,20-21,23-24,26-32,42-46H,1,3-4,7-8,11-17,19,36H2,(H,37,38)(H,39,49)(H,40,47)(H,41,48)/t23-,24+,26-,27-,28?,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 | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of human kidney renin |
J Med Chem 35: 559-67 (1992)
BindingDB Entry DOI: 10.7270/Q24748TV |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50008522
(4-Amino-cyclohexanecarboxylic acid {1-[1-(1-cycloh...)Show SMILES N[C@H]1CC[C@H](CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO |wU:31.33,10.10,4.7,41.45,43.47,1.0,wD:39.43,45.49,(13.3,-11.59,;11.83,-11.13,;10.7,-12.18,;9.21,-11.73,;8.89,-10.22,;10.03,-9.18,;11.48,-9.64,;7.42,-9.77,;6.25,-10.76,;7.15,-8.26,;5.7,-7.72,;4.52,-8.72,;3.05,-8.27,;2.7,-6.76,;1.22,-6.32,;.1,-7.38,;.45,-8.88,;1.92,-9.33,;5.43,-6.22,;6.61,-5.22,;3.98,-5.69,;3.98,-4.05,;2.74,-3.19,;1.5,-4.1,;1.5,-5.63,;.05,-6.13,;-.86,-4.92,;.03,-3.63,;5.49,-3.32,;5.44,-2.02,;6.95,-3.16,;8.28,-2.39,;8.28,-.85,;6.95,-.08,;5.59,-.85,;4.28,-.05,;4.28,1.49,;5.63,2.24,;6.95,1.47,;9.61,-3.16,;9.61,-4.7,;10.94,-2.39,;10.94,-.85,;12.28,-3.16,;12.28,-4.7,;13.62,-2.39,;13.62,-.85,;14.96,-3.16,;16.3,-2.39,)| Show InChI InChI=1S/C35H54N6O8/c36-24-13-11-23(12-14-24)33(47)40-27(16-22-9-5-2-6-10-22)34(48)41-28(17-25-18-37-20-38-25)35(49)39-26(15-21-7-3-1-4-8-21)30(44)32(46)31(45)29(43)19-42/h2,5-6,9-10,18,20-21,23-24,26-32,42-46H,1,3-4,7-8,11-17,19,36H2,(H,37,38)(H,39,49)(H,40,47)(H,41,48)/t23-,24+,26-,27-,28?,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 | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of sheep plasma renin |
J Med Chem 35: 559-67 (1992)
BindingDB Entry DOI: 10.7270/Q24748TV |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50230367
(CHEMBL3143442)Show SMILES CCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO Show InChI InChI=1S/C33H56N4O8/c1-4-12-23(35-32(44)25(18-22-15-10-7-11-16-22)37-33(45)27(34)20(3)5-2)31(43)36-24(17-21-13-8-6-9-14-21)28(40)30(42)29(41)26(39)19-38/h7,10-11,15-16,20-21,23-30,38-42H,4-6,8-9,12-14,17-19,34H2,1-3H3,(H,35,44)(H,36,43)(H,37,45)/t20-,23-,24-,25-,26+,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
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of rhesus monkey plasma renin |
J Med Chem 35: 559-67 (1992)
BindingDB Entry DOI: 10.7270/Q24748TV |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50008520
(2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3,4,5,6-pentah...)Show SMILES CC(C)(C)S(=O)(=O)CC(Cc1ccccc1)C(=O)NC(Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO Show InChI InChI=1S/C33H52N4O9S/c1-33(2,3)47(45,46)19-23(14-21-10-6-4-7-11-21)31(43)37-26(16-24-17-34-20-35-24)32(44)36-25(15-22-12-8-5-9-13-22)28(40)30(42)29(41)27(39)18-38/h4,6-7,10-11,17,20,22-23,25-30,38-42H,5,8-9,12-16,18-19H2,1-3H3,(H,34,35)(H,36,44)(H,37,43)/t23?,25-,26?,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
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of human plasma renin |
J Med Chem 35: 559-67 (1992)
BindingDB Entry DOI: 10.7270/Q24748TV |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Renin
(Homo sapiens (Human)) | BDBM50008520
(2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3,4,5,6-pentah...)Show SMILES CC(C)(C)S(=O)(=O)CC(Cc1ccccc1)C(=O)NC(Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO Show InChI InChI=1S/C33H52N4O9S/c1-33(2,3)47(45,46)19-23(14-21-10-6-4-7-11-21)31(43)37-26(16-24-17-34-20-35-24)32(44)36-25(15-22-12-8-5-9-13-22)28(40)30(42)29(41)27(39)18-38/h4,6-7,10-11,17,20,22-23,25-30,38-42H,5,8-9,12-16,18-19H2,1-3H3,(H,34,35)(H,36,44)(H,37,43)/t23?,25-,26?,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
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of dog plasma renin |
J Med Chem 35: 559-67 (1992)
BindingDB Entry DOI: 10.7270/Q24748TV |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Renin
(Homo sapiens (Human)) | BDBM50230367
(CHEMBL3143442)Show SMILES CCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO Show InChI InChI=1S/C33H56N4O8/c1-4-12-23(35-32(44)25(18-22-15-10-7-11-16-22)37-33(45)27(34)20(3)5-2)31(43)36-24(17-21-13-8-6-9-14-21)28(40)30(42)29(41)26(39)19-38/h7,10-11,15-16,20-21,23-30,38-42H,4-6,8-9,12-14,17-19,34H2,1-3H3,(H,35,44)(H,36,43)(H,37,45)/t20-,23-,24-,25-,26+,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
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of human kidney renin |
J Med Chem 35: 559-67 (1992)
BindingDB Entry DOI: 10.7270/Q24748TV |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50230366
(CHEMBL3143445)Show SMILES CCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO Show InChI InChI=1S/C33H56N4O8/c1-4-12-23(35-32(44)25(18-22-15-10-7-11-16-22)37-33(45)27(34)20(3)5-2)31(43)36-24(17-21-13-8-6-9-14-21)28(40)30(42)29(41)26(39)19-38/h7,10-11,15-16,20-21,23-30,38-42H,4-6,8-9,12-14,17-19,34H2,1-3H3,(H,35,44)(H,36,43)(H,37,45)/t20-,23-,24-,25-,26-,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
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of human kidney renin |
J Med Chem 35: 559-67 (1992)
BindingDB Entry DOI: 10.7270/Q24748TV |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50230366
(CHEMBL3143445)Show SMILES CCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO Show InChI InChI=1S/C33H56N4O8/c1-4-12-23(35-32(44)25(18-22-15-10-7-11-16-22)37-33(45)27(34)20(3)5-2)31(43)36-24(17-21-13-8-6-9-14-21)28(40)30(42)29(41)26(39)19-38/h7,10-11,15-16,20-21,23-30,38-42H,4-6,8-9,12-14,17-19,34H2,1-3H3,(H,35,44)(H,36,43)(H,37,45)/t20-,23-,24-,25-,26-,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
| n/a | n/a | 420 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of human plasma renin |
J Med Chem 35: 559-67 (1992)
BindingDB Entry DOI: 10.7270/Q24748TV |
More data for this
Ligand-Target Pair | |
Renin
(Rattus norvegicus) | BDBM50008520
(2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3,4,5,6-pentah...)Show SMILES CC(C)(C)S(=O)(=O)CC(Cc1ccccc1)C(=O)NC(Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO Show InChI InChI=1S/C33H52N4O9S/c1-33(2,3)47(45,46)19-23(14-21-10-6-4-7-11-21)31(43)37-26(16-24-17-34-20-35-24)32(44)36-25(15-22-12-8-5-9-13-22)28(40)30(42)29(41)27(39)18-38/h4,6-7,10-11,17,20,22-23,25-30,38-42H,5,8-9,12-16,18-19H2,1-3H3,(H,34,35)(H,36,44)(H,37,43)/t23?,25-,26?,27+,28+,29+,30+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of rat plasma renin |
J Med Chem 35: 559-67 (1992)
BindingDB Entry DOI: 10.7270/Q24748TV |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50008520
(2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3,4,5,6-pentah...)Show SMILES CC(C)(C)S(=O)(=O)CC(Cc1ccccc1)C(=O)NC(Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO Show InChI InChI=1S/C33H52N4O9S/c1-33(2,3)47(45,46)19-23(14-21-10-6-4-7-11-21)31(43)37-26(16-24-17-34-20-35-24)32(44)36-25(15-22-12-8-5-9-13-22)28(40)30(42)29(41)27(39)18-38/h4,6-7,10-11,17,20,22-23,25-30,38-42H,5,8-9,12-16,18-19H2,1-3H3,(H,34,35)(H,36,44)(H,37,43)/t23?,25-,26?,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
| n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of cathepsin D |
J Med Chem 35: 559-67 (1992)
BindingDB Entry DOI: 10.7270/Q24748TV |
More data for this
Ligand-Target Pair | |
Pepsin A-5
(Homo sapiens (Human)) | BDBM50008520
(2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3,4,5,6-pentah...)Show SMILES CC(C)(C)S(=O)(=O)CC(Cc1ccccc1)C(=O)NC(Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO Show InChI InChI=1S/C33H52N4O9S/c1-33(2,3)47(45,46)19-23(14-21-10-6-4-7-11-21)31(43)37-26(16-24-17-34-20-35-24)32(44)36-25(15-22-12-8-5-9-13-22)28(40)30(42)29(41)27(39)18-38/h4,6-7,10-11,17,20,22-23,25-30,38-42H,5,8-9,12-16,18-19H2,1-3H3,(H,34,35)(H,36,44)(H,37,43)/t23?,25-,26?,27+,28+,29+,30+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
Inhibition of pepsin |
J Med Chem 35: 559-67 (1992)
BindingDB Entry DOI: 10.7270/Q24748TV |
More data for this
Ligand-Target Pair | |
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