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4 similar compounds to monomer 188269

Compile data set for download or QSAR
Wt: 447.5
BDBM188260
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Wt: 477.6
BDBM188268
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Wt: 463.5
BDBM188280
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Wt: 449.5
BDBM188281
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 188260,188268,188280,188281   
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)
BDBM188260
PNG
(US9073941, 542)
Show SMILES CC(C)n1cnc(c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1nc2ccc(C)cc2s1
Show InChI InChI=1S/C20H25N5O3S2/c1-13(2)24-11-18(21-12-24)30(27,28)25-8-6-15(7-9-25)19(26)23-20-22-16-5-4-14(3)10-17(16)29-20/h4-5,10-13,15H,6-9H2,1-3H3,(H,22,23,26)
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 5.06E+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
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
Purchase

PC cid
PC sid
UniChem

Similars

US Patent
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
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188280
PNG
(US9073941, 562)
Show SMILES CCOc1ccc2nc(NC(=O)C3CCN(CC3)S(=O)(=O)c3cn(CC)cn3)sc2c1
Show InChI InChI=1S/C20H25N5O4S2/c1-3-24-12-18(21-13-24)31(27,28)25-9-7-14(8-10-25)19(26)23-20-22-16-6-5-15(29-4-2)11-17(16)30-20/h5-6,11-14H,3-4,7-10H2,1-2H3,(H,22,23,26)
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.50E+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
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188268
PNG
(US9073941, 550)
Show SMILES CCOc1ccc2nc(NC(=O)C3CCN(CC3)S(=O)(=O)c3cn(cn3)C(C)C)sc2c1
Show InChI InChI=1S/C21H27N5O4S2/c1-4-30-16-5-6-17-18(11-16)31-21(23-17)24-20(27)15-7-9-26(10-8-15)32(28,29)19-12-25(13-22-19)14(2)3/h5-6,11-15H,4,7-10H2,1-3H3,(H,23,24,27)
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.13E+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