BDBM50046796 (S)-N-[(S)-1-((1S,2R,3S)-1-Cyclohexylmethyl-2,3-dihydroxy-5-methyl-hexylcarbamoyl)-2-thiazol-4-yl-ethyl]-2-(2-methyl-propane-2-sulfonylmethyl)-3-phenyl-propionamide::2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3-dihydroxy-5-methyl-hexylcarbamoyl)-2-thiazol-4-yl-ethyl]-3-(2-methyl-propane-2-sulfonyl)-propionamide::CHEMBL279780
SMILES: CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@H](Cc1ccccc1)CS(=O)(=O)C(C)(C)C
InChI Key: InChIKey=VAGHLSLYPQIPEG-GQZUPRNYSA-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)) | BDBM50046796 ((S)-N-[(S)-1-((1S,2R,3S)-1-Cyclohexylmethyl-2,3-di...) | 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 | 0.870 | n/a | n/a | n/a | n/a | 7.4 | n/a |
TBA Curated by ChEMBL | Assay Description In vitro inhibition of human plasma renin at PH 7.4 | Bioorg Med Chem Lett 2: 1405-1410 (1992) Article DOI: 10.1016/S0960-894X(00)80522-3 BindingDB Entry DOI: 10.7270/Q2VD6ZBV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Renin (Homo sapiens (Human)) | BDBM50046796 ((S)-N-[(S)-1-((1S,2R,3S)-1-Cyclohexylmethyl-2,3-di...) | 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 | 0.870 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Inhibitory concentration against human plasma renin at pH 7.4 | J Med Chem 36: 460-7 (1993) BindingDB Entry DOI: 10.7270/Q2VT1R5C | |||||||||||
More data for this Ligand-Target Pair |