BDBM50056250 (6S,9S)-6-Mercaptomethyl-7-oxo-6,7,8,9,10,11,12,13,14,15-decahydro-5H-8-aza-benzocyclotridecene-9-carboxylic acid::CHEMBL149841
SMILES: OC(=O)[C@@H]1CCCCCCc2ccccc2C[C@H](CS)C(=O)N1
InChI Key: InChIKey=KSCNYKDWJTZFRI-CVEARBPZSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Thermolysin (Bacillus thermoproteolyticus) | BDBM50056250 ((6S,9S)-6-Mercaptomethyl-7-oxo-6,7,8,9,10,11,12,13...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharmaceuticals Corporation Curated by ChEMBL | Assay Description Inhibitory concentration required to inhibit thermolysin | J Med Chem 40: 495-505 (1997) Article DOI: 10.1021/jm960582o BindingDB Entry DOI: 10.7270/Q2ZC81Z3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neprilysin (Homo sapiens (Human)) | BDBM50056250 ((6S,9S)-6-Mercaptomethyl-7-oxo-6,7,8,9,10,11,12,13...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 224 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharmaceuticals Corporation Curated by ChEMBL | Assay Description Inhibition of neutral endopeptidase | J Med Chem 40: 495-505 (1997) Article DOI: 10.1021/jm960582o BindingDB Entry DOI: 10.7270/Q2ZC81Z3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thermolysin (Bacillus thermoproteolyticus) | BDBM50056250 ((6S,9S)-6-Mercaptomethyl-7-oxo-6,7,8,9,10,11,12,13...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
CIBA-GEIGY Corporation Curated by ChEMBL | Assay Description Inhibitory concentration required to inhibit thermolysin (TLN) | J Med Chem 40: 506-14 (1997) Article DOI: 10.1021/jm960583g BindingDB Entry DOI: 10.7270/Q2TM797S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neprilysin (Homo sapiens (Human)) | BDBM50056250 ((6S,9S)-6-Mercaptomethyl-7-oxo-6,7,8,9,10,11,12,13...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
CIBA-GEIGY Corporation Curated by ChEMBL | Assay Description Inhibitory concentration required to inhibit neutral endopeptidase (NEP) | J Med Chem 40: 506-14 (1997) Article DOI: 10.1021/jm960583g BindingDB Entry DOI: 10.7270/Q2TM797S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Angiotensin-converting enzyme (Homo sapiens (Human)) | BDBM50056250 ((6S,9S)-6-Mercaptomethyl-7-oxo-6,7,8,9,10,11,12,13...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
CIBA-GEIGY Corporation Curated by ChEMBL | Assay Description Inhibitory concentration required to inhibit Angiotensin I converting enzyme (ACE) | J Med Chem 40: 506-14 (1997) Article DOI: 10.1021/jm960583g BindingDB Entry DOI: 10.7270/Q2TM797S | |||||||||||
More data for this Ligand-Target Pair |