BindingDB logo
myBDB logout

BDBM119879 SL917::US9073941, 505

InChI string: InChI=1S/C17H21BrN4O3S/c1-11(2)12-4-6-14(7-5-12)21-16(23)10-22(3)26(24,25)15-8-13(18)9-20-17(15)19/h4-9,11H,10H2,1-3H3,(H2,19,20)(H,21,23)

SMILES: CC(C)c1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(Br)cnc2N)cc1

InChI Key: InChIKey=XWSIUNXKMXHAQN-UHFFFAOYSA-N

Data: 2 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 119879   
Target
(Institution)
LigandTarget
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
pHTemp
°C
Dihydrolipoyl dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM119879
PNG
(SL917 | US9073941, 505)
Show SMILES CC(C)c1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(Br)cnc2N)cc1
Show InChI InChI=1S/C17H21BrN4O3S/c1-11(2)12-4-6-14(7-5-12)21-16(23)10-22(3)26(24,25)15-8-13(18)9-20-17(15)19/h4-9,11H,10H2,1-3H3,(H2,19,20)(H,21,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
233n/an/an/an/an/an/an/an/a



Weill Cornell Medical College



Assay Description
IC50 values were determined with serial dilutions (from 100 to 0.1 uM) of inhibitors by a spectrophotometric assay with DTNB, lipoamide, and NADH or ...


Biochemistry 52: 9375-84 (2013)

More data for this
Ligand-Target Pair
Prephenate dehydrogenase TyrA (PDH)


(Mycobacterium tuberculosis H37Rv)
BDBM119879
PNG
(SL917 | US9073941, 505)
Show SMILES CC(C)c1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(Br)cnc2N)cc1
Show InChI InChI=1S/C17H21BrN4O3S/c1-11(2)12-4-6-14(7-5-12)21-16(23)10-22(3)26(24,25)15-8-13(18)9-20-17(15)19/h4-9,11H,10H2,1-3H3,(H2,19,20)(H,21,23)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
289n/an/an/an/an/an/an/an/a



Weill Cornell Medical College



Assay Description
IC50 values were determined with serial dilutions (from 100 to 0.1 uM) of inhibitors by a spectrophotometric assay with DTNB, lipoamide, and NADH or ...


Biochemistry 52: 9375-84 (2013)

More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM119879
PNG
(SL917 | US9073941, 505)
Show SMILES CC(C)c1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(Br)cnc2N)cc1
Show InChI InChI=1S/C17H21BrN4O3S/c1-11(2)12-4-6-14(7-5-12)21-16(23)10-22(3)26(24,25)15-8-13(18)9-20-17(15)19/h4-9,11H,10H2,1-3H3,(H2,19,20)(H,21,23)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 840n/an/an/an/an/an/a



Academia Sinica

US Patent


Assay Description
The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (2010) 49:1616-1627 and modified for an online robotics sc...


US Patent US9073941 (2015)

More data for this
Ligand-Target Pair