BDBM50022529 2-Hydroxy-3-[3-(1H-imidazol-4-yl)-2-(2-naphthalen-1-ylmethyl-4-oxo-4-piperidin-1-yl-butyrylamino)-propionylamino]-5-methyl-hexanoic acid methyl ester::CHEMBL159336
SMILES: COC(=O)C(O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(=O)N1CCCCC1)Cc1cccc2ccccc12
InChI Key: InChIKey=JNHZXGXHSIXVBS-UHFFFAOYSA-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)) | BDBM50022529 (2-Hydroxy-3-[3-(1H-imidazol-4-yl)-2-(2-naphthalen-...) | 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 | 420 | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd. Curated by ChEMBL | Assay Description Inhibitory concentration was measured against plasma renin from dog | J Med Chem 31: 701-4 (1988) BindingDB Entry DOI: 10.7270/Q26H4GDB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Renin (Homo sapiens (Human)) | BDBM50022529 (2-Hydroxy-3-[3-(1H-imidazol-4-yl)-2-(2-naphthalen-...) | 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 | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd. Curated by ChEMBL | Assay Description Inhibitory concentration was measured against plasma renin from human | J Med Chem 31: 701-4 (1988) BindingDB Entry DOI: 10.7270/Q26H4GDB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Renin (Homo sapiens (Human)) | BDBM50022529 (2-Hydroxy-3-[3-(1H-imidazol-4-yl)-2-(2-naphthalen-...) | 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 | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd. Curated by ChEMBL | Assay Description Inhibitory concentration was measured against plasma renin from dog | J Med Chem 31: 701-4 (1988) BindingDB Entry DOI: 10.7270/Q26H4GDB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Renin (Rattus norvegicus) | BDBM50022529 (2-Hydroxy-3-[3-(1H-imidazol-4-yl)-2-(2-naphthalen-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd. Curated by ChEMBL | Assay Description Inhibitory concentration was measured against plasma renin from rat | J Med Chem 31: 701-4 (1988) BindingDB Entry DOI: 10.7270/Q26H4GDB | |||||||||||
More data for this Ligand-Target Pair |