BDBM50108798 CHEMBL3143437::{1-[1-(1-{1-Hydroxy-2-[1-(3-methyl-butylcarbamoyl)-ethylcarbamoyl]-ethyl}-3-methyl-butylcarbamoyl)-2-methyl-propylcarbamoyl]-2-methyl-propyl}-carbamic acid 3-methyl-butyl ester
SMILES: CC(C)CCNC(=O)[C@H](C)NC(=O)C[C@@](C)(O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCCC(C)C)C(C)C)C(C)C
InChI Key: InChIKey=MFCSFBLGHJKUFP-FWBDZRFYSA-N
Data: 1 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Pepsinogen A5 (Homo sapiens (Human)) | BDBM50108798 (CHEMBL3143437 | {1-[1-(1-{1-Hydroxy-2-[1-(3-methyl...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison Curated by ChEMBL | Assay Description Inhibition of pepsin | J Med Chem 45: 541-58 (2002) BindingDB Entry DOI: 10.7270/Q2M9080M | |||||||||||
More data for this Ligand-Target Pair |