BindingDB logo
myBDB logout

BDBM188281 US9073941, 563

SMILES: CCn1cnc(c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1nc2ccc(OC)cc2s1

InChI Key: InChIKey=IPVGUIYWWZVOOJ-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 = 188281   
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)
BDBM188281
PNG
(US9073941, 563)
Show SMILES CCn1cnc(c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1nc2ccc(OC)cc2s1
Show InChI InChI=1S/C19H23N5O4S2/c1-3-23-11-17(20-12-23)30(26,27)24-8-6-13(7-9-24)18(25)22-19-21-15-5-4-14(28-2)10-16(15)29-19/h4-5,10-13H,3,6-9H2,1-2H3,(H,21,22,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/a 3.02E+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