BDBM50017124 7-[2-(1-Ethoxycarbonyl-3-phenyl-propylamino)-propionyl]-1,4-dithia-7-aza-spiro[4.4]nonane-8-carboxylic acid::7-[2-(1-Ethoxycarbonyl-3-phenyl-propylamino)-propionyl]-1,4-dithia-7-aza-spiro[4.4]nonane-8-carboxylic acid (Spirapiril)::CHEMBL431::Renormax::SPIRAPRIL
SMILES: CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CC2(C[C@H]1C(O)=O)SCCS2
InChI Key: InChIKey=HRWCVUIFMSZDJS-SZMVWBNQSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Bile salt export pump (Homo sapiens (Human)) | BDBM50017124 (7-[2-(1-Ethoxycarbonyl-3-phenyl-propylamino)-propi...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 4.71E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description In vitro displacement of [3H]ICS-205-930 from 5-hydroxytryptamine 3 receptor in cultured NG-108-15 rat glioma cells | Drug Metab Dispos 40: 2332-41 (2012) Article DOI: 10.1124/dmd.112.047068 BindingDB Entry DOI: 10.7270/Q2ZP488M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Angiotensin-converting enzyme (Rattus norvegicus) | BDBM50017124 (7-[2-(1-Ethoxycarbonyl-3-phenyl-propylamino)-propi...) | KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation Curated by ChEMBL | Assay Description Compound tested in vitro for inhibition of Angiotensin I converting enzyme | J Med Chem 32: 1600-6 (1989) BindingDB Entry DOI: 10.7270/Q2M61KVW | |||||||||||
More data for this Ligand-Target Pair |