BindingDB logo
myBDB logout

8 molecules are shown

Compile data set for download or QSAR
Wt: 359.4
BDBM50343344
Wt: 353.4
BDBM50343345
Wt: 333.4
BDBM50343346
Wt: 317.4
BDBM50343347
Wt: 345.4
BDBM50343348
Wt: 359.4
BDBM50343349
Wt: 359.3
BDBM50343350
Wt: 345.3
BDBM50343351

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50343344,50343345,50343346,50343347,50343348,50343349,50343350,50343351   
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
Transcriptional repressor EthR (EthR)


(Mycobacterium tuberculosis)
BDBM50343344
PNG
(1-(thiophen-2-ylacetyl)-4-(3-thiophen-2-yl-1,2,4-o...)
Show SMILES O=C(Cc1cccs1)N1CCC(CC1)c1nc(no1)-c1cccs1
Show InChI InChI=1S/C17H17N3O2S2/c21-15(11-13-3-1-9-23-13)20-7-5-12(6-8-20)17-18-16(19-22-17)14-4-2-10-24-14/h1-4,9-10,12H,5-8,11H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis EthR interaction to ethA promoter after 5 mins by surface plasmon resonance assay


J Med Chem 54: 2994-3010 (2011)


Article DOI: 10.1021/jm200076a
BindingDB Entry DOI: 10.7270/Q2SJ1KXS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transcriptional repressor EthR (EthR)


(Mycobacterium tuberculosis)
BDBM50343345
PNG
(2-Phenyl-1-[4-(3-thiophen-2-yl-[1,2,4]oxadiazol-5-...)
Show SMILES O=C(Cc1ccccc1)N1CCC(CC1)c1nc(no1)-c1cccs1
Show InChI InChI=1S/C19H19N3O2S/c23-17(13-14-5-2-1-3-6-14)22-10-8-15(9-11-22)19-20-18(21-24-19)16-7-4-12-25-16/h1-7,12,15H,8-11,13H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 5.60E+3n/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis EthR interaction to ethA promoter after 5 mins by surface plasmon resonance assay


J Med Chem 54: 2994-3010 (2011)


Article DOI: 10.1021/jm200076a
BindingDB Entry DOI: 10.7270/Q2SJ1KXS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transcriptional repressor EthR (EthR)


(Mycobacterium tuberculosis)
BDBM50343346
PNG
(4-Methyl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-y...)
Show SMILES CC(C)CCC(=O)N1CCC(CC1)c1nc(no1)-c1cccs1
Show InChI InChI=1S/C17H23N3O2S/c1-12(2)5-6-15(21)20-9-7-13(8-10-20)17-18-16(19-22-17)14-4-3-11-23-14/h3-4,11-13H,5-10H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 900n/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis EthR interaction to ethA promoter after 5 mins by surface plasmon resonance assay


J Med Chem 54: 2994-3010 (2011)


Article DOI: 10.1021/jm200076a
BindingDB Entry DOI: 10.7270/Q2SJ1KXS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transcriptional repressor EthR (EthR)


(Mycobacterium tuberculosis)
BDBM50343347
PNG
(2-Cyclopropyl-1-[4-(3-thiophen-2-yl-[1,2,4]oxadiaz...)
Show SMILES O=C(CC1CC1)N1CCC(CC1)c1nc(no1)-c1cccs1
Show InChI InChI=1S/C16H19N3O2S/c20-14(10-11-3-4-11)19-7-5-12(6-8-19)16-17-15(18-21-16)13-2-1-9-22-13/h1-2,9,11-12H,3-8,10H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis EthR interaction to ethA promoter after 5 mins by surface plasmon resonance assay


J Med Chem 54: 2994-3010 (2011)


Article DOI: 10.1021/jm200076a
BindingDB Entry DOI: 10.7270/Q2SJ1KXS
More data for this
Ligand-Target Pair
Transcriptional repressor EthR (EthR)


(Mycobacterium tuberculosis)
BDBM50343348
PNG
(2-Cyclopentyl-1-[4-(3-thiophen-2-yl-[1,2,4]oxadiaz...)
Show SMILES O=C(CC1CCCC1)N1CCC(CC1)c1nc(no1)-c1cccs1
Show InChI InChI=1S/C18H23N3O2S/c22-16(12-13-4-1-2-5-13)21-9-7-14(8-10-21)18-19-17(20-23-18)15-6-3-11-24-15/h3,6,11,13-14H,1-2,4-5,7-10,12H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis EthR interaction to ethA promoter after 5 mins by surface plasmon resonance assay


J Med Chem 54: 2994-3010 (2011)


Article DOI: 10.1021/jm200076a
BindingDB Entry DOI: 10.7270/Q2SJ1KXS
More data for this
Ligand-Target Pair
Transcriptional repressor EthR (EthR)


(Mycobacterium tuberculosis)
BDBM50343350
PNG
(4,4,4-trifluoro-1-(4-(3-(thiophen-2-yl)-1,2,4-oxad...)
Show SMILES FC(F)(F)CCC(=O)N1CCC(CC1)c1nc(no1)-c1cccs1
Show InChI InChI=1S/C15H16F3N3O2S/c16-15(17,18)6-3-12(22)21-7-4-10(5-8-21)14-19-13(20-23-14)11-2-1-9-24-11/h1-2,9-10H,3-8H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of EthR binding to ethA promoter in 106-bp biotinylated DNA preincubated for 5 mins measured for 3 mins by surface plasmon resonance assay


J Med Chem 55: 68-83 (2012)


Article DOI: 10.1021/jm200825u
BindingDB Entry DOI: 10.7270/Q2RX9CJW
More data for this
Ligand-Target Pair
Transcriptional repressor EthR (EthR)


(Mycobacterium tuberculosis)
BDBM50343350
PNG
(4,4,4-trifluoro-1-(4-(3-(thiophen-2-yl)-1,2,4-oxad...)
Show SMILES FC(F)(F)CCC(=O)N1CCC(CC1)c1nc(no1)-c1cccs1
Show InChI InChI=1S/C15H16F3N3O2S/c16-15(17,18)6-3-12(22)21-7-4-10(5-8-21)14-19-13(20-23-14)11-2-1-9-24-11/h1-2,9-10H,3-8H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis EthR interaction to ethA promoter after 5 mins by surface plasmon resonance assay


J Med Chem 54: 2994-3010 (2011)


Article DOI: 10.1021/jm200076a
BindingDB Entry DOI: 10.7270/Q2SJ1KXS
More data for this
Ligand-Target Pair
Transcriptional repressor EthR (EthR)


(Mycobacterium tuberculosis)
BDBM50343351
PNG
(4,4,4-Trifluoro-1-[(R)-3-(3-thiophen-2-yl-1,2,4-ox...)
Show SMILES FC(F)(F)CCC(=O)N1CC[C@H](C1)c1nc(no1)-c1cccs1
Show InChI InChI=1S/C14H14F3N3O2S/c15-14(16,17)5-3-11(21)20-6-4-9(8-20)13-18-12(19-22-13)10-2-1-7-23-10/h1-2,7,9H,3-6,8H2/t9-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis EthR interaction to ethA promoter after 5 mins by surface plasmon resonance assay


J Med Chem 54: 2994-3010 (2011)


Article DOI: 10.1021/jm200076a
BindingDB Entry DOI: 10.7270/Q2SJ1KXS
More data for this
Ligand-Target Pair
Transcriptional repressor EthR (EthR)


(Mycobacterium tuberculosis)
BDBM50343351
PNG
(4,4,4-Trifluoro-1-[(R)-3-(3-thiophen-2-yl-1,2,4-ox...)
Show SMILES FC(F)(F)CCC(=O)N1CC[C@H](C1)c1nc(no1)-c1cccs1
Show InChI InChI=1S/C14H14F3N3O2S/c15-14(16,17)5-3-11(21)20-6-4-9(8-20)13-18-12(19-22-13)10-2-1-7-23-10/h1-2,7,9H,3-6,8H2/t9-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 400n/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv EthR in Mycobacterium tuberculosis H37Rv expressing GFP infected mouse in RAW264.7 cells assessed as p...


J Med Chem 55: 68-83 (2012)


Article DOI: 10.1021/jm200825u
BindingDB Entry DOI: 10.7270/Q2RX9CJW
More data for this
Ligand-Target Pair
Transcriptional repressor EthR (EthR)


(Mycobacterium tuberculosis)
BDBM50343350
PNG
(4,4,4-trifluoro-1-(4-(3-(thiophen-2-yl)-1,2,4-oxad...)
Show SMILES FC(F)(F)CCC(=O)N1CCC(CC1)c1nc(no1)-c1cccs1
Show InChI InChI=1S/C15H16F3N3O2S/c16-15(17,18)6-3-12(22)21-7-4-10(5-8-21)14-19-13(20-23-14)11-2-1-9-24-11/h1-2,9-10H,3-8H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 100n/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv EthR in Mycobacterium tuberculosis H37Rv expressing GFP infected mouse in RAW264.7 cells assessed as p...


J Med Chem 55: 68-83 (2012)


Article DOI: 10.1021/jm200825u
BindingDB Entry DOI: 10.7270/Q2RX9CJW
More data for this
Ligand-Target Pair
Transcriptional repressor EthR (EthR)


(Mycobacterium tuberculosis)
BDBM50343351
PNG
(4,4,4-Trifluoro-1-[(R)-3-(3-thiophen-2-yl-1,2,4-ox...)
Show SMILES FC(F)(F)CCC(=O)N1CC[C@H](C1)c1nc(no1)-c1cccs1
Show InChI InChI=1S/C14H14F3N3O2S/c15-14(16,17)5-3-11(21)20-6-4-9(8-20)13-18-12(19-22-13)10-2-1-7-23-10/h1-2,7,9H,3-6,8H2/t9-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of EthR binding to ethA promoter in 106-bp biotinylated DNA preincubated for 5 mins measured for 3 mins by surface plasmon resonance assay


J Med Chem 55: 68-83 (2012)


Article DOI: 10.1021/jm200825u
BindingDB Entry DOI: 10.7270/Q2RX9CJW
More data for this
Ligand-Target Pair
Transcriptional repressor EthR (EthR)


(Mycobacterium tuberculosis)
BDBM50343349
PNG
(2-Cyclohexyl-1-[4-(3-thiophen-2-yl-[1,2,4]oxadiazo...)
Show SMILES O=C(CC1CCCCC1)N1CCC(CC1)c1nc(no1)-c1cccs1
Show InChI InChI=1S/C19H25N3O2S/c23-17(13-14-5-2-1-3-6-14)22-10-8-15(9-11-22)19-20-18(21-24-19)16-7-4-12-25-16/h4,7,12,14-15H,1-3,5-6,8-11,13H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.50E+3n/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis EthR interaction to ethA promoter after 5 mins by surface plasmon resonance assay


J Med Chem 54: 2994-3010 (2011)


Article DOI: 10.1021/jm200076a
BindingDB Entry DOI: 10.7270/Q2SJ1KXS
More data for this
Ligand-Target Pair