BDBM50004399 CHEMBL92384::{1-[1-{1-Cyclohexylmethyl-2-hydroxy-3-[(2-morpholin-4-yl-ethylcarbamoyl)-methanesulfonyl]-propylcarbamoyl}-2-(1H-imidazol-4-yl)-ethylcarbamoyl]-2-phenyl-ethyl}-carbamic acid tert-butyl ester; hydrate
SMILES: CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CS(=O)(=O)CC(=O)NCCN1CCOCC1
InChI Key: InChIKey=YPLVCNVMFLYOTL-YRCZKMHPSA-N
Data: 1 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)) | BDBM50004399![]() (CHEMBL92384 | {1-[1-{1-Cyclohexylmethyl-2-hydroxy-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 9.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of human plasma renin | J Med Chem 35: 2772-81 (1992) Article DOI: 10.1021/jm00093a009 BindingDB Entry DOI: 10.7270/Q2D50KWR | |||||||||||
More data for this Ligand-Target Pair |