Found 2 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50022835' 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)) | BDBM50022835
(Ac-Ftr-Pro-Phe-His-Sta-Ile-NH2 | CHEMBL419531)Show SMILES CC[C@H](C)[C@H](NC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cn(C=O)c2ccccc12)NC(C)=O)C(N)=O Show InChI InChI=1S/C48H64N10O9/c1-6-29(4)43(44(49)63)56-42(62)23-41(61)35(19-28(2)3)53-46(65)37(22-33-24-50-26-51-33)54-45(64)36(20-31-13-8-7-9-14-31)55-47(66)40-17-12-18-58(40)48(67)38(52-30(5)60)21-32-25-57(27-59)39-16-11-10-15-34(32)39/h7-11,13-16,24-29,35-38,40-41,43,61H,6,12,17-23H2,1-5H3,(H2,49,63)(H,50,51)(H,52,60)(H,53,65)(H,54,64)(H,55,66)(H,56,62)/t29-,35-,36-,37-,38-,40-,41?,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 | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Company
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against human plasma renin |
J Med Chem 31: 18-30 (1988)
BindingDB Entry DOI: 10.7270/Q2C53MDQ |
More data for this Ligand-Target Pair | |
Renin
(Rattus norvegicus) | BDBM50022835
(Ac-Ftr-Pro-Phe-His-Sta-Ile-NH2 | CHEMBL419531)Show SMILES CC[C@H](C)[C@H](NC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cn(C=O)c2ccccc12)NC(C)=O)C(N)=O Show InChI InChI=1S/C48H64N10O9/c1-6-29(4)43(44(49)63)56-42(62)23-41(61)35(19-28(2)3)53-46(65)37(22-33-24-50-26-51-33)54-45(64)36(20-31-13-8-7-9-14-31)55-47(66)40-17-12-18-58(40)48(67)38(52-30(5)60)21-32-25-57(27-59)39-16-11-10-15-34(32)39/h7-11,13-16,24-29,35-38,40-41,43,61H,6,12,17-23H2,1-5H3,(H2,49,63)(H,50,51)(H,52,60)(H,53,65)(H,54,64)(H,55,66)(H,56,62)/t29-,35-,36-,37-,38-,40-,41?,43-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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 |
Upjohn Company
Curated by ChEMBL
| Assay Description In vitro inhibitory activity towards porcine kidney renin |
J Med Chem 31: 18-30 (1988)
BindingDB Entry DOI: 10.7270/Q2C53MDQ |
More data for this Ligand-Target Pair | |