Found 6 hits in this display 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)) | BDBM50006179
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCCn1ccnc1 Show InChI InChI=1S/C43H70N6O6/c1-5-6-18-37(46-39(28-34-16-11-8-12-17-34)43(53)49-24-19-35(20-25-49)55-31-54-4)42(52)47-38(27-33-14-9-7-10-15-33)40(50)29-36(32(2)3)41(51)45-21-13-23-48-26-22-44-30-48/h8,11-12,16-17,22,26,30,32-33,35-40,46,50H,5-7,9-10,13-15,18-21,23-25,27-29,31H2,1-4H3,(H,45,51)(H,47,52)/t36-,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 | 2 | n/a | n/a | n/a | n/a | 6.0 | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description In vitro activity against human renin (pH 6.0) |
J Med Chem 35: 1735-46 (1992)
BindingDB Entry DOI: 10.7270/Q27943MQ |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50006179
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCCn1ccnc1 Show InChI InChI=1S/C43H70N6O6/c1-5-6-18-37(46-39(28-34-16-11-8-12-17-34)43(53)49-24-19-35(20-25-49)55-31-54-4)42(52)47-38(27-33-14-9-7-10-15-33)40(50)29-36(32(2)3)41(51)45-21-13-23-48-26-22-44-30-48/h8,11-12,16-17,22,26,30,32-33,35-40,46,50H,5-7,9-10,13-15,18-21,23-25,27-29,31H2,1-4H3,(H,45,51)(H,47,52)/t36-,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 | 7.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Tested in vitro for its ability to inhibit the human plasma renin |
J Med Chem 37: 2991-3007 (1994)
BindingDB Entry DOI: 10.7270/Q26H4GFS |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50006179
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCCn1ccnc1 Show InChI InChI=1S/C43H70N6O6/c1-5-6-18-37(46-39(28-34-16-11-8-12-17-34)43(53)49-24-19-35(20-25-49)55-31-54-4)42(52)47-38(27-33-14-9-7-10-15-33)40(50)29-36(32(2)3)41(51)45-21-13-23-48-26-22-44-30-48/h8,11-12,16-17,22,26,30,32-33,35-40,46,50H,5-7,9-10,13-15,18-21,23-25,27-29,31H2,1-4H3,(H,45,51)(H,47,52)/t36-,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 | 7.60 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description In vitro potency against human plasma renin at a pH of 7.4 |
J Med Chem 35: 1735-46 (1992)
BindingDB Entry DOI: 10.7270/Q27943MQ |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50006179
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCCn1ccnc1 Show InChI InChI=1S/C43H70N6O6/c1-5-6-18-37(46-39(28-34-16-11-8-12-17-34)43(53)49-24-19-35(20-25-49)55-31-54-4)42(52)47-38(27-33-14-9-7-10-15-33)40(50)29-36(32(2)3)41(51)45-21-13-23-48-26-22-44-30-48/h8,11-12,16-17,22,26,30,32-33,35-40,46,50H,5-7,9-10,13-15,18-21,23-25,27-29,31H2,1-4H3,(H,45,51)(H,47,52)/t36-,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 | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Tested in vitro for its ability to inhibit the dog plasma renin |
J Med Chem 37: 2991-3007 (1994)
BindingDB Entry DOI: 10.7270/Q26H4GFS |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50006179
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCCn1ccnc1 Show InChI InChI=1S/C43H70N6O6/c1-5-6-18-37(46-39(28-34-16-11-8-12-17-34)43(53)49-24-19-35(20-25-49)55-31-54-4)42(52)47-38(27-33-14-9-7-10-15-33)40(50)29-36(32(2)3)41(51)45-21-13-23-48-26-22-44-30-48/h8,11-12,16-17,22,26,30,32-33,35-40,46,50H,5-7,9-10,13-15,18-21,23-25,27-29,31H2,1-4H3,(H,45,51)(H,47,52)/t36-,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 | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Tested in vitro for its ability to inhibit the ferret plasma renin |
J Med Chem 37: 2991-3007 (1994)
BindingDB Entry DOI: 10.7270/Q26H4GFS |
More data for this Ligand-Target Pair | |
Renin
(Rattus norvegicus) | BDBM50006179
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCCn1ccnc1 Show InChI InChI=1S/C43H70N6O6/c1-5-6-18-37(46-39(28-34-16-11-8-12-17-34)43(53)49-24-19-35(20-25-49)55-31-54-4)42(52)47-38(27-33-14-9-7-10-15-33)40(50)29-36(32(2)3)41(51)45-21-13-23-48-26-22-44-30-48/h8,11-12,16-17,22,26,30,32-33,35-40,46,50H,5-7,9-10,13-15,18-21,23-25,27-29,31H2,1-4H3,(H,45,51)(H,47,52)/t36-,37-,38-,39-,40-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 7.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Tested in vitro for its ability to inhibit the rat plasma renin |
J Med Chem 37: 2991-3007 (1994)
BindingDB Entry DOI: 10.7270/Q26H4GFS |
More data for this Ligand-Target Pair | |