BDBM50159365 (3R,5S)-5-{[(2,5-difluorobenzyl)amino]methyl}-1-(5-propylpyrimidin-2-yl)pyrrolidine-3-thiol::CHEMBL194651
SMILES: CCCc1cnc(nc1)N1C[C@H](S)CC1CNCc1cc(F)ccc1F
InChI Key: InChIKey=TZPQMHFSXQOAEF-ZYMOGRSISA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Neprilysin (Homo sapiens (Human)) | BDBM50159365 ((3R,5S)-5-{[(2,5-difluorobenzyl)amino]methyl}-1-(5...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University Institute of Pathology Curated by ChEMBL | Assay Description Inhibitory concentration against Neprilysin | J Med Chem 48: 483-98 (2005) Article DOI: 10.1021/jm040857x BindingDB Entry DOI: 10.7270/Q2VM4D1H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Endothelin-converting enzyme 1 (ECE1) (Homo sapiens (Human)) | BDBM50159365 ((3R,5S)-5-{[(2,5-difluorobenzyl)amino]methyl}-1-(5...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 72.9 | n/a | n/a | n/a | n/a | n/a | n/a |
University Institute of Pathology Curated by ChEMBL | Assay Description Inhibitory concentration against human ECE-1 expressed in MDCK cells | J Med Chem 48: 483-98 (2005) Article DOI: 10.1021/jm040857x BindingDB Entry DOI: 10.7270/Q2VM4D1H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Angiotensin-converting enzyme (Homo sapiens (Human)) | BDBM50159365 ((3R,5S)-5-{[(2,5-difluorobenzyl)amino]methyl}-1-(5...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 3.15E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University Institute of Pathology Curated by ChEMBL | Assay Description Inhibitory concentration against human angiotensin I converting enzyme | J Med Chem 48: 483-98 (2005) Article DOI: 10.1021/jm040857x BindingDB Entry DOI: 10.7270/Q2VM4D1H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Endothelin-converting enzyme 1 (ECE1) (Homo sapiens (Human)) | BDBM50159365 ((3R,5S)-5-{[(2,5-difluorobenzyl)amino]methyl}-1-(5...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 10.4 | n/a | n/a | n/a | n/a | n/a | n/a |
University Institute of Pathology Curated by ChEMBL | Assay Description Inhibitory concentration against human ECE-1 by RIA | J Med Chem 48: 483-98 (2005) Article DOI: 10.1021/jm040857x BindingDB Entry DOI: 10.7270/Q2VM4D1H | |||||||||||
More data for this Ligand-Target Pair |