BDBM50407085 CHEMBL2112259
SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)CC(=O)N[C@@H](C(C)C)C(O)=O
InChI Key: InChIKey=WRNYZKXDJHJYDF-BMNPDWMFSA-N
Data: 3 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)) | BDBM50407085 (CHEMBL2112259) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | 6.0 | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description In vitro inhibition of partially purified human renin at pH 6.0. | J Med Chem 36: 468-78 (1993) BindingDB Entry DOI: 10.7270/Q2PC331F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin D (Bos taurus) | BDBM50407085 (CHEMBL2112259) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 620 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Inhibition of conversion of hemoglobin by commercially purchased bovine spleen cathepsin D. | J Med Chem 36: 468-78 (1993) BindingDB Entry DOI: 10.7270/Q2PC331F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Endothelin-converting enzyme 1 (ECE) (Rattus norvegicus (Rat)) | BDBM50407085 (CHEMBL2112259) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Inhibition of conversion of big endothelial-1 (Big ET-1) to ET-1 by endothelin converting enzyme(ECE) in rat lung membrane. | J Med Chem 36: 468-78 (1993) BindingDB Entry DOI: 10.7270/Q2PC331F | |||||||||||
More data for this Ligand-Target Pair |