BindingDB logo
myBDB logout

BDBM188230 US9073941, 512

SMILES: CCc1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2cn(cn2)C(C)C)cc1

InChI Key: InChIKey=MHUHCUZRCSLGPC-UHFFFAOYSA-N

Data: 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 1 hit for monomerid = 188230   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188230
PNG
(US9073941, 512)
Show SMILES CCc1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2cn(cn2)C(C)C)cc1
Show InChI InChI=1S/C20H28N4O3S/c1-4-16-5-7-18(8-6-16)22-20(25)17-9-11-24(12-10-17)28(26,27)19-13-23(14-21-19)15(2)3/h5-8,13-15,17H,4,9-12H2,1-3H3,(H,22,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/a 2.90E+3n/an/an/an/a7.0n/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)


BindingDB Entry DOI: 10.7270/Q2HX1BGC
More data for this
Ligand-Target Pair