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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '6,7-dimethyl-8-ribityllumazine synthase' and Ligand = 'BDBM50316581'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
6,7-dimethyl-8-ribityllumazine synthase


(Mycobacterium tuberculosis)
BDBM50316581
PNG
(5-(2-Oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamido)...)
Show SMILES OP(O)(=O)OCCCCCNS(=O)(=O)c1ccc2NC(=O)c3cccc1c23
Show InChI InChI=1S/C16H19N2O7PS/c19-16-12-6-4-5-11-14(8-7-13(18-16)15(11)12)27(23,24)17-9-2-1-3-10-25-26(20,21)22/h4-8,17H,1-3,9-10H2,(H,18,19)(H2,20,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.90E+4n/an/an/an/an/an/an/an/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)
BDBM50316581
PNG
(5-(2-Oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamido)...)
Show SMILES OP(O)(=O)OCCCCCNS(=O)(=O)c1ccc2NC(=O)c3cccc1c23
Show InChI InChI=1S/C16H19N2O7PS/c19-16-12-6-4-5-11-14(8-7-13(18-16)15(11)12)27(23,24)17-9-2-1-3-10-25-26(20,21)22/h4-8,17H,1-3,9-10H2,(H,18,19)(H2,20,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.63E+5n/an/an/an/an/an/an/an/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