BDBM50022531 (+)2-Hydroxy-3-[3-(1H-imidazol-4-yl)-2-(4-morpholin-4-yl-2-naphthalen-1-ylmethyl-4-oxo-butyrylamino)-propionylamino]-5-methyl-hexanoic acid isopropyl ester::2-Hydroxy-3-[3-(1H-imidazol-4-yl)-2-(4-morpholin-4-yl-2-naphthalen-1-ylmethyl-4-oxo-butyrylamino)-propionylamino]-5-methyl-hexanoic acid isopropyl ester::CHEMBL348587
SMILES: CC(C)CC(NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(=O)N1CCOCC1)Cc1cccc2ccccc12)C(O)C(=O)OC(C)C
InChI Key: InChIKey=LAQXJGUAIIHFMN-UHFFFAOYSA-N
Data: 5 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)) | BDBM50022531 ((+)2-Hydroxy-3-[3-(1H-imidazol-4-yl)-2-(4-morpholi...) | 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 | 7.80 | 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 (Rattus norvegicus) | BDBM50022531 ((+)2-Hydroxy-3-[3-(1H-imidazol-4-yl)-2-(4-morpholi...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.70E+4 | 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 | |||||||||||||
Renin (Homo sapiens (Human)) | BDBM50022531 ((+)2-Hydroxy-3-[3-(1H-imidazol-4-yl)-2-(4-morpholi...) | 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+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd. Curated by ChEMBL | Assay Description Inhibitory concentration against human renin | J Med Chem 31: 701-4 (1988) BindingDB Entry DOI: 10.7270/Q26H4GDB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Renin (Homo sapiens (Human)) | BDBM50022531 ((+)2-Hydroxy-3-[3-(1H-imidazol-4-yl)-2-(4-morpholi...) | 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 | 25 | 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)) | BDBM50022531 ((+)2-Hydroxy-3-[3-(1H-imidazol-4-yl)-2-(4-morpholi...) | 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 | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd. Curated by ChEMBL | Assay Description Inhibitory concentration against human renin | J Med Chem 31: 701-4 (1988) BindingDB Entry DOI: 10.7270/Q26H4GDB | |||||||||||
More data for this Ligand-Target Pair |