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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = '6,7-dimethyl-8-ribityllumazine synthase' and Ligand = 'BDBM50316579'   
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)
BDBM50316579
PNG
(2-(2-Oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamido)...)
Show SMILES OP(O)(=O)OCCNS(=O)(=O)c1ccc2NC(=O)c3cccc1c23
Show InChI InChI=1S/C13H13N2O7PS/c16-13-9-3-1-2-8-11(5-4-10(15-13)12(8)9)24(20,21)14-6-7-22-23(17,18)19/h1-5,14H,6-7H2,(H,15,16)(H2,17,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
9.80E+3n/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)
BDBM50316579
PNG
(2-(2-Oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamido)...)
Show SMILES OP(O)(=O)OCCNS(=O)(=O)c1ccc2NC(=O)c3cccc1c23
Show InChI InChI=1S/C13H13N2O7PS/c16-13-9-3-1-2-8-11(5-4-10(15-13)12(8)9)24(20,21)14-6-7-22-23(17,18)19/h1-5,14H,6-7H2,(H,15,16)(H2,17,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
1.25E+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
6,7-dimethyl-8-ribityllumazine synthase


(Mycobacterium tuberculosis)
BDBM50316579
PNG
(2-(2-Oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamido)...)
Show SMILES OP(O)(=O)OCCNS(=O)(=O)c1ccc2NC(=O)c3cccc1c23
Show InChI InChI=1S/C13H13N2O7PS/c16-13-9-3-1-2-8-11(5-4-10(15-13)12(8)9)24(20,21)14-6-7-22-23(17,18)19/h1-5,14H,6-7H2,(H,15,16)(H2,17,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
2.60E+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-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