BDBM50280493 CHEMBL430077::{(S)-1-[(S)-1-((S)-1-Cyclohexylmethyl-3,3,3-trifluoro-2-oxo-propylcarbamoyl)-3-methyl-butylcarbamoyl]-2-phenyl-ethyl}-carbamic acid tert-butyl ester
SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC1CCCCC1)C(=O)C(F)(F)F
InChI Key: InChIKey=NRSNVZFGGSLOQS-HJOGWXRNSA-N
Data: 2 IC50
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Renin (Homo sapiens (Human)) | BDBM50280493 (CHEMBL430077 | {(S)-1-[(S)-1-((S)-1-Cyclohexylmeth...) | 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 | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL | Assay Description In vitro inhibitory potency against human kidney renin. | J Med Chem 36: 2431-47 (1993) BindingDB Entry DOI: 10.7270/Q2TB183J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Renin (Homo sapiens (Human)) | BDBM50280493 (CHEMBL430077 | {(S)-1-[(S)-1-((S)-1-Cyclohexylmeth...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Concentration of the compound required to inhibit human plasma renin by 50% using radio-immunoassay was determined | Bioorg Med Chem Lett 2: 651-654 (1992) Article DOI: 10.1016/S0960-894X(00)80383-2 BindingDB Entry DOI: 10.7270/Q2KP822J | |||||||||||
More data for this Ligand-Target Pair |