BDBM50370856 CHEMBL376005
SMILES: [#8-]-[#7+](=O)-c1cc(cc2\[#6](=[#6](/C#N)C#N)-c3cc(cc(c3-c12)-[#7+](-[#8-])=O)S(=O)(=O)[#8]-c1ccccc1)S(=O)(=O)[#8]-c1ccccc1
InChI Key: InChIKey=XKOJGDSEHSJLAP-UHFFFAOYSA-N
Data: 1 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cystathionine beta-lyase metC (Escherichia coli K-12) | BDBM50370856 (CHEMBL376005) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University Curated by ChEMBL | Assay Description Inhibition of Escherichia coli CBL | J Med Chem 50: 755-64 (2007) Article DOI: 10.1021/jm061132r BindingDB Entry DOI: 10.7270/Q2KS6SCJ | |||||||||||
More data for this Ligand-Target Pair |