BDBM50147723 CHEMBL3764019
SMILES: CN(C)c1ccc(\C=N\NC(=O)c2c(C)nc3sc4ccccc4n23)cc1
InChI Key: InChIKey=CUSLPDYGWJRFED-CIAFOILYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50147723 (CHEMBL3764019) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | 1.46E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Birla Institute of Technology& Science-Pilani Curated by ChEMBL | Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format... | Bioorg Med Chem 24: 1298-307 (2016) BindingDB Entry DOI: 10.7270/Q2C82C5B | |||||||||||
More data for this Ligand-Target Pair |