BDBM50022866 4-[1-{3-[1-[1-(1-amino-1-methylpropylcarboxamido)-2-methyl-(1S)-propylcarboxamido]-2-methyl-(1S)-propylcarboxamido]-2-hydroxy-5-methylhexylcarboxamido}-(1S)-ethylcarboxamido]-3-hydroxy-6-methylheptanoic acid::CHEMBL98582
SMILES: CCC(C)(N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NC(CC(C)C)C(O)CC(=O)N[C@@H](C)C(=O)NC(CC(C)C)C(O)CC(O)=O
InChI Key: InChIKey=OQUMTPGNPJBXDI-SKVWWOFPSA-N
Data: 4 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)) | BDBM50022866 (4-[1-{3-[1-[1-(1-amino-1-methylpropylcarboxamido)-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Inhibitory activity against human renin | J Med Chem 31: 284-95 (1988) BindingDB Entry DOI: 10.7270/Q2S75FBX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Pepsin A (Porcine) | BDBM50022866 (4-[1-{3-[1-[1-(1-amino-1-methylpropylcarboxamido)-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Inhibitory activity against porcine pepsin | J Med Chem 31: 284-95 (1988) BindingDB Entry DOI: 10.7270/Q2S75FBX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Renin (Mus musculus) | BDBM50022866 (4-[1-{3-[1-[1-(1-amino-1-methylpropylcarboxamido)-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Inhibitory activity against mouse renin | J Med Chem 31: 284-95 (1988) BindingDB Entry DOI: 10.7270/Q2S75FBX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin D (Bos taurus) | BDBM50022866 (4-[1-{3-[1-[1-(1-amino-1-methylpropylcarboxamido)-...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Inhibitory activity against bovine cathepsin D | J Med Chem 31: 284-95 (1988) BindingDB Entry DOI: 10.7270/Q2S75FBX | |||||||||||
More data for this Ligand-Target Pair |