BDBM50016002 (2R,4R)-[[1-Benzyl-4-(1-cyclohexylmethyl-2-hydroxy-4-isobutylcarbamoyl-pent-4-enylcarbamoyl)-2-hydroxy-nonyl]-carbamic acid tert-butyl ester::CHEMBL122044
SMILES: CCCCCC(CC(O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=C)C(=O)NCC(C)C
InChI Key: InChIKey=UBSOIXBGYRXSJF-DMCQDZEQSA-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)) | BDBM50016002 ((2R,4R)-[[1-Benzyl-4-(1-cyclohexylmethyl-2-hydroxy...) | 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 | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description In vitro inhibitory activity against human renal renin using radioimmuno assay for angiotensin I production | J Med Chem 33: 371-4 (1990) BindingDB Entry DOI: 10.7270/Q26972J7 | |||||||||||
More data for this Ligand-Target Pair |