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Compile Data Set for Download or QSAR

Found 48 hits of ki for UniProtKB: P9WQ59   
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
Long-chain-fatty-acid--AMP ligase FadD28


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50565085
PNG
(CHEMBL4795814)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCOc2ccc(F)cc2)[C@@H](O)[C@H]1O |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
300n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv FAAL28 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112408
BindingDB Entry DOI: 10.7270/Q2Z60SS6
More data for this
Ligand-Target Pair
Long-chain-fatty-acid--AMP ligase FadD28


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50565063
PNG
(CHEMBL4789026)
Show SMILES CCCCCCCCCCCCCCCCCC(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
500n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv FAAL28 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112408
BindingDB Entry DOI: 10.7270/Q2Z60SS6
More data for this
Ligand-Target Pair
Long-chain-fatty-acid--AMP ligase FadD28


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50565089
PNG
(CHEMBL4778102)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCOc2cccc(Cl)c2)[C@@H](O)[C@H]1O |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
500n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv FAAL28 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112408
BindingDB Entry DOI: 10.7270/Q2Z60SS6
More data for this
Ligand-Target Pair
Long-chain-fatty-acid--AMP ligase FadD28


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50565075
PNG
(CHEMBL4784453)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCOc2ccccc2)[C@@H](O)[C@H]1O |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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Purchase

MCE
PC cid
PC sid
PDB
UniChem
Article
PubMed
710n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv FAAL28 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112408
BindingDB Entry DOI: 10.7270/Q2Z60SS6
More data for this
Ligand-Target Pair
Long-chain-fatty-acid--AMP ligase FadD28


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50565062
PNG
(CHEMBL4794550)
Show SMILES CCCCCCCCCCCCCCCC(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv FAAL28 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112408
BindingDB Entry DOI: 10.7270/Q2Z60SS6
More data for this
Ligand-Target Pair
Long-chain-fatty-acid--AMP ligase FadD28


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50565094
PNG
(CHEMBL4793140)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCOc2ccccc2C(F)(F)F)[C@@H](O)[C@H]1O |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.30E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv FAAL28 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112408
BindingDB Entry DOI: 10.7270/Q2Z60SS6
More data for this
Ligand-Target Pair
Long-chain-fatty-acid--AMP ligase FadD28


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50565061
PNG
(CHEMBL4793406)
Show SMILES CCCCCCCCCCCCCC(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.40E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv FAAL28 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112408
BindingDB Entry DOI: 10.7270/Q2Z60SS6
More data for this
Ligand-Target Pair
Long-chain-fatty-acid--AMP ligase FadD28


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50565055
PNG
(CHEMBL1213367)
Show SMILES CCCCCCCCCCCC(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.50E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv His-tagged FAAL28 expressed in Escherichia coli


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112408
BindingDB Entry DOI: 10.7270/Q2Z60SS6
More data for this
Ligand-Target Pair
Long-chain-fatty-acid--AMP ligase FadD28


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50565087
PNG
(CHEMBL4796346)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCOc2ccccc2F)[C@@H](O)[C@H]1O |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.50E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv FAAL28 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112408
BindingDB Entry DOI: 10.7270/Q2Z60SS6
More data for this
Ligand-Target Pair
Long-chain-fatty-acid--AMP ligase FadD28


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50565086
PNG
(CHEMBL4793079)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCOc2cccc(F)c2)[C@@H](O)[C@H]1O |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.60E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv FAAL28 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112408
BindingDB Entry DOI: 10.7270/Q2Z60SS6
More data for this
Ligand-Target Pair
Long-chain-fatty-acid--AMP ligase FadD28


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50565096
PNG
(CHEMBL4783091)
Show SMILES COc1cccc(OCCCCCCCCCCC(=O)NS(=O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)c1 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.70E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv FAAL28 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112408
BindingDB Entry DOI: 10.7270/Q2Z60SS6
More data for this
Ligand-Target Pair
Long-chain-fatty-acid--AMP ligase FadD28


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50565099
PNG
(CHEMBL4788041)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCOc2ccc3ccccc3c2)[C@@H](O)[C@H]1O |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.88E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv FAAL28 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112408
BindingDB Entry DOI: 10.7270/Q2Z60SS6
More data for this
Ligand-Target Pair
Long-chain-fatty-acid--AMP ligase FadD28


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50565088
PNG
(CHEMBL4788163)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCOc2ccc(Cl)cc2)[C@@H](O)[C@H]1O |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.20E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv FAAL28 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112408
BindingDB Entry DOI: 10.7270/Q2Z60SS6
More data for this
Ligand-Target Pair
Long-chain-fatty-acid--AMP ligase FadD28


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50565082
PNG
(CHEMBL4786161)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCCOc2ccccc2)[C@@H](O)[C@H]1O |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.60E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv FAAL28 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112408
BindingDB Entry DOI: 10.7270/Q2Z60SS6
More data for this
Ligand-Target Pair
Long-chain-fatty-acid--AMP ligase FadD28


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50565100
PNG
(CHEMBL4779275)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNS(=O)(=O)NC(=O)CCCCCCCCCCOc2ccccc2)[C@@H](O)[C@H]1O |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.10E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv FAAL28 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112408
BindingDB Entry DOI: 10.7270/Q2Z60SS6
More data for this
Ligand-Target Pair
Long-chain-fatty-acid--AMP ligase FadD28


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50565090
PNG
(CHEMBL4794608)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCOc2ccccc2Cl)[C@@H](O)[C@H]1O |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.60E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv FAAL28 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112408
BindingDB Entry DOI: 10.7270/Q2Z60SS6
More data for this
Ligand-Target Pair
Long-chain-fatty-acid--AMP ligase FadD28


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50565091
PNG
(CHEMBL4786635)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCOc2ccc(Br)cc2)[C@@H](O)[C@H]1O |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
4.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv FAAL28 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112408
BindingDB Entry DOI: 10.7270/Q2Z60SS6
More data for this
Ligand-Target Pair
Long-chain-fatty-acid--AMP ligase FadD28


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50565093
PNG
(CHEMBL4785012)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCOc2cccc(c2)C(F)(F)F)[C@@H](O)[C@H]1O |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
4.40E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv FAAL28 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112408
BindingDB Entry DOI: 10.7270/Q2Z60SS6
More data for this
Ligand-Target Pair
Long-chain-fatty-acid--AMP ligase FadD28


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50565083
PNG
(CHEMBL4783588)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCSc2ccccc2)[C@@H](O)[C@H]1O |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
6.30E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv FAAL28 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112408
BindingDB Entry DOI: 10.7270/Q2Z60SS6
More data for this
Ligand-Target Pair
Long-chain-fatty-acid--AMP ligase FadD28


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50565055
PNG
(CHEMBL1213367)
Show SMILES CCCCCCCCCCCC(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
6.40E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv FAAL28 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112408
BindingDB Entry DOI: 10.7270/Q2Z60SS6
More data for this
Ligand-Target Pair
Long-chain-fatty-acid--AMP ligase FadD28


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50565095
PNG
(CHEMBL4792395)
Show SMILES COc1ccc(OCCCCCCCCCCC(=O)NS(=O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)cc1 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
6.60E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv FAAL28 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112408
BindingDB Entry DOI: 10.7270/Q2Z60SS6
More data for this
Ligand-Target Pair
Long-chain-fatty-acid--AMP ligase FadD28


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50565081
PNG
(CHEMBL4798925)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCOc2ccccc2)[C@@H](O)[C@H]1O |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
6.70E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv FAAL28 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112408
BindingDB Entry DOI: 10.7270/Q2Z60SS6
More data for this
Ligand-Target Pair
Long-chain-fatty-acid--AMP ligase FadD28


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50565084
PNG
(CHEMBL4791695)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCNc2ccccc2)[C@@H](O)[C@H]1O |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
7.30E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv FAAL28 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112408
BindingDB Entry DOI: 10.7270/Q2Z60SS6
More data for this
Ligand-Target Pair
Long-chain-fatty-acid--AMP ligase FadD28


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50565092
PNG
(CHEMBL4796355)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCOc2ccc(cc2)C(F)(F)F)[C@@H](O)[C@H]1O |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.56E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv FAAL28 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112408
BindingDB Entry DOI: 10.7270/Q2Z60SS6
More data for this
Ligand-Target Pair
Long-chain-fatty-acid--AMP ligase FadD28


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50565098
PNG
(CHEMBL4785579)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCOc2cccc3ccccc23)[C@@H](O)[C@H]1O |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.52E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv FAAL28 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112408
BindingDB Entry DOI: 10.7270/Q2Z60SS6
More data for this
Ligand-Target Pair
Long-chain-fatty-acid--AMP ligase FadD28


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50565071
PNG
(CHEMBL4799593)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCCN=[N+]=[N-])[C@@H](O)[C@H]1O |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.85E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv FAAL28 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112408
BindingDB Entry DOI: 10.7270/Q2Z60SS6
More data for this
Ligand-Target Pair
Long-chain-fatty-acid--AMP ligase FadD28


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50565069
PNG
(CHEMBL4799388)
Show SMILES CCCCCCCCC[C@@H]1C[C@@H]1C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
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6.98E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv FAAL28 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112408
BindingDB Entry DOI: 10.7270/Q2Z60SS6
More data for this
Ligand-Target Pair
Long-chain-fatty-acid--AMP ligase FadD28


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50565060
PNG
(CHEMBL4800285)
Show SMILES CCCCCCCCCC(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
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8.80E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv FAAL28 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112408
BindingDB Entry DOI: 10.7270/Q2Z60SS6
More data for this
Ligand-Target Pair
Long-chain-fatty-acid--AMP ligase FadD28


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50565070
PNG
(CHEMBL4788624)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCO)[C@@H](O)[C@H]1O |r|
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9.27E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv FAAL28 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112408
BindingDB Entry DOI: 10.7270/Q2Z60SS6
More data for this
Ligand-Target Pair
Long-chain-fatty-acid--AMP ligase FadD28


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50565101
PNG
(CHEMBL4794644)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NCCCCCCCCCCCOc2ccccc2)[C@@H](O)[C@H]1O |r|
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Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv FAAL28 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112408
BindingDB Entry DOI: 10.7270/Q2Z60SS6
More data for this
Ligand-Target Pair
Long-chain-fatty-acid--AMP ligase FadD28


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50565097
PNG
(CHEMBL4796612)
Show SMILES CCN(CC)CC.COc1ccccc1OCCCCCCCCCCC(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
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Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv FAAL28 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112408
BindingDB Entry DOI: 10.7270/Q2Z60SS6
More data for this
Ligand-Target Pair
Long-chain-fatty-acid--AMP ligase FadD28


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50565080
PNG
(CHEMBL4783410)
Show SMILES CCCCOCCOCCOCC(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
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TBA

Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv FAAL28 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112408
BindingDB Entry DOI: 10.7270/Q2Z60SS6
More data for this
Ligand-Target Pair
Long-chain-fatty-acid--AMP ligase FadD28


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50565079
PNG
(CHEMBL4795362)
Show SMILES CCCCCCCCCOCC(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
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Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv FAAL28 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112408
BindingDB Entry DOI: 10.7270/Q2Z60SS6
More data for this
Ligand-Target Pair
Long-chain-fatty-acid--AMP ligase FadD28


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50565078
PNG
(CHEMBL4783512)
Show SMILES CCCCCCCCCC(C)(C)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
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TBA

Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv FAAL28 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112408
BindingDB Entry DOI: 10.7270/Q2Z60SS6
More data for this
Ligand-Target Pair
Long-chain-fatty-acid--AMP ligase FadD28


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50565077
PNG
(CHEMBL4790296)
Show SMILES CCCCCCCCC[C@H](C)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
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TBA

Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv FAAL28 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112408
BindingDB Entry DOI: 10.7270/Q2Z60SS6
More data for this
Ligand-Target Pair
Long-chain-fatty-acid--AMP ligase FadD28


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50565076
PNG
(CHEMBL4792020)
Show SMILES CCCCCCCCC[C@@H](C)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
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TBA

Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv FAAL28 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112408
BindingDB Entry DOI: 10.7270/Q2Z60SS6
More data for this
Ligand-Target Pair
Long-chain-fatty-acid--AMP ligase FadD28


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50565074
PNG
(CHEMBL4780409)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCC(O)=O)[C@@H](O)[C@H]1O |r|
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Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv FAAL28 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112408
BindingDB Entry DOI: 10.7270/Q2Z60SS6
More data for this
Ligand-Target Pair
Long-chain-fatty-acid--AMP ligase FadD28


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50565073
PNG
(CHEMBL4795365)
Show SMILES COC(=O)CCCCCCCCC(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
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TBA

Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv FAAL28 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112408
BindingDB Entry DOI: 10.7270/Q2Z60SS6
More data for this
Ligand-Target Pair
Long-chain-fatty-acid--AMP ligase FadD28


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50565072
PNG
(CHEMBL4791297)
Show SMILES NCCCCCCCCCCCC(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
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TBA

Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv FAAL28 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112408
BindingDB Entry DOI: 10.7270/Q2Z60SS6
More data for this
Ligand-Target Pair
Long-chain-fatty-acid--AMP ligase FadD28


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50565068
PNG
(CHEMBL4790765)
Show SMILES CCCCCC\C=C/CCCC(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
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TBA

Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv FAAL28 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112408
BindingDB Entry DOI: 10.7270/Q2Z60SS6
More data for this
Ligand-Target Pair
Long-chain-fatty-acid--AMP ligase FadD28


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50565067
PNG
(CHEMBL4791922)
Show SMILES CCCCCC\C=C\CCCC(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
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TBA

Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv FAAL28 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112408
BindingDB Entry DOI: 10.7270/Q2Z60SS6
More data for this
Ligand-Target Pair
Long-chain-fatty-acid--AMP ligase FadD28


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50565066
PNG
(CHEMBL4789057)
Show SMILES CCCCCCCCC\C=C\C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
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Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv FAAL28 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112408
BindingDB Entry DOI: 10.7270/Q2Z60SS6
More data for this
Ligand-Target Pair
Long-chain-fatty-acid--AMP ligase FadD28


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50565065
PNG
(CHEMBL4783693)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCC=C)[C@@H](O)[C@H]1O |r|
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TBA

Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv FAAL28 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112408
BindingDB Entry DOI: 10.7270/Q2Z60SS6
More data for this
Ligand-Target Pair
Long-chain-fatty-acid--AMP ligase FadD28


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50565064
PNG
(CHEMBL4798727)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCC#C)[C@@H](O)[C@H]1O |r|
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Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv FAAL28 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112408
BindingDB Entry DOI: 10.7270/Q2Z60SS6
More data for this
Ligand-Target Pair
Long-chain-fatty-acid--AMP ligase FadD28


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50565059
PNG
(CHEMBL4787345)
Show SMILES CCCCCCCC(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
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TBA

Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv FAAL28 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112408
BindingDB Entry DOI: 10.7270/Q2Z60SS6
More data for this
Ligand-Target Pair
Long-chain-fatty-acid--AMP ligase FadD28


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50565058
PNG
(CHEMBL4779661)
Show SMILES CCCCCC(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
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TBA

Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv FAAL28 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112408
BindingDB Entry DOI: 10.7270/Q2Z60SS6
More data for this
Ligand-Target Pair
Long-chain-fatty-acid--AMP ligase FadD28


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50565102
PNG
(CHEMBL4794513)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNS(=O)(=O)OCCCCCCCCCCCOc2ccccc2)[C@@H](O)[C@H]1O |r|
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Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv FAAL28 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112408
BindingDB Entry DOI: 10.7270/Q2Z60SS6
More data for this
Ligand-Target Pair
Long-chain-fatty-acid--AMP ligase FadD28


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50565057
PNG
(CHEMBL4797246)
Show SMILES CCCC(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
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Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv FAAL28 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112408
BindingDB Entry DOI: 10.7270/Q2Z60SS6
More data for this
Ligand-Target Pair