BDBM50208228 1-(5-chlorobenzo[b]thiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethylphosphonic acid::CHEMBL387130
SMILES: OP(O)(=O)C(C(=O)Nc1ccc2ccccc2c1)c1csc2ccc(Cl)cc12
InChI Key: InChIKey=HUJXISJLAPAFBO-UHFFFAOYSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Chymase (Homo sapiens (Human)) | BDBM50208228 (1-(5-chlorobenzo[b]thiophen-3-yl)-2-(naphthalen-2-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL | Assay Description Inhibition of human skin chymase | J Med Chem 50: 1727-30 (2007) Article DOI: 10.1021/jm0700619 BindingDB Entry DOI: 10.7270/Q26W99RF | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Cathepsin G (Homo sapiens (Human)) | BDBM50208228 (1-(5-chlorobenzo[b]thiophen-3-yl)-2-(naphthalen-2-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 9.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL | Assay Description Inhibition of human neutrophil Cat G | J Med Chem 50: 1727-30 (2007) Article DOI: 10.1021/jm0700619 BindingDB Entry DOI: 10.7270/Q26W99RF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Chymase (Homo sapiens (Human)) | BDBM50208228 (1-(5-chlorobenzo[b]thiophen-3-yl)-2-(naphthalen-2-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL | Assay Description Inhibition of human skin chymase | J Med Chem 50: 1727-30 (2007) Article DOI: 10.1021/jm0700619 BindingDB Entry DOI: 10.7270/Q26W99RF | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |