BDBM50316577 4-(2-Oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamido)-butyldihydrogen phosphate::CHEMBL1097477
SMILES: OP(O)(=O)OCCCCNS(=O)(=O)c1ccc2NC(=O)c3cccc1c23
InChI Key: InChIKey=GLETUMFPICHSDN-UHFFFAOYSA-N
Data: 3 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
6,7-dimethyl-8-ribityllumazine synthase (Mycobacterium tuberculosis) | BDBM50316577 (4-(2-Oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamido)...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University Curated by ChEMBL | Assay Description Inhibition of Mycobacterium tuberculosis recombinant lumazine synthase at enzyme-substrate complex state after 30 mins by fluorescence assay | Bioorg Med Chem 18: 3518-34 (2010) Article DOI: 10.1016/j.bmc.2010.03.072 BindingDB Entry DOI: 10.7270/Q29P31S5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
6,7-dimethyl-8-ribityllumazine synthase (Mycobacterium tuberculosis) | BDBM50316577 (4-(2-Oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamido)...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 3.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University Curated by ChEMBL | Assay Description Inhibition of Mycobacterium tuberculosis recombinant lumazine synthase at enzyme-inhibitor complex state after 30 mins by fluorescence assay | Bioorg Med Chem 18: 3518-34 (2010) Article DOI: 10.1016/j.bmc.2010.03.072 BindingDB Entry DOI: 10.7270/Q29P31S5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
6,7-dimethyl-8-ribityllumazine synthase (Mycobacterium tuberculosis) | BDBM50316577 (4-(2-Oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamido)...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 5.72E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University Curated by ChEMBL | Assay Description Inhibition of Mycobacterium tuberculosis recombinant lumazine synthase at enzyme-substrate-inhibitor complex state after 30 mins by fluorescence assa... | Bioorg Med Chem 18: 3518-34 (2010) Article DOI: 10.1016/j.bmc.2010.03.072 BindingDB Entry DOI: 10.7270/Q29P31S5 | |||||||||||
More data for this Ligand-Target Pair |