BDBM50014131 2-[2-[3-(Acetylamino-methylsulfanyl)-2-(2-tert-butoxycarbonylamino-3-phenyl-propionylamino)-propionylamino]-3-(1H-indol-3-yl)-propionylamino]-4-methyl-pentanoic acid methyl ester::CHEMBL313089
SMILES: COC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
InChI Key: InChIKey=FCOYXQPFLLIZFE-YDPTYEFTSA-N
Data: 2 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)) | BDBM50014131 (2-[2-[3-(Acetylamino-methylsulfanyl)-2-(2-tert-but...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
ICI Pharmaceuticals Curated by ChEMBL | Assay Description Inhibitory activity against human renin | J Med Chem 33: 2552-60 (1990) BindingDB Entry DOI: 10.7270/Q2NS0VHH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Renin (Homo sapiens (Human)) | BDBM50014131 (2-[2-[3-(Acetylamino-methylsulfanyl)-2-(2-tert-but...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
ICI Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of human renin | J Med Chem 33: 2560-8 (1990) BindingDB Entry DOI: 10.7270/Q20V8BR8 | |||||||||||
More data for this Ligand-Target Pair |