BindingDB logo
myBDB logout

PubMed code 19827080

Compile data set for download or QSAR
Found 5 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM84865
PNG
(5'-Deoxy-5'-thiodenosine scaffold, 14c)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSSCC(O)CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C13H19N5O5S2/c14-11-8-12(16-4-15-11)18(5-17-8)13-10(22)9(21)7(23-13)3-25-24-2-6(20)1-19/h4-7,9-10,13,19-22H,1-3H2,(H2,14,15,16)/t6?,7-,9-,10-,13-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 5.70E+5n/an/an/a7.625



University of Cambridge



Assay Description
The dissociation constants and enthalpies was determined by isothermal titration calorimety.


Chembiochem 10: 2772-9 (2009)

Checked by Author
Article DOI: 10.1002/cbic.200900537
BindingDB Entry DOI: 10.7270/Q21J988R
More data for this
Ligand-Target Pair
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM84866
PNG
(5'-Deoxy-5'-thiodenosine scaffold, 18)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCC(O)CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C14H21N5O5S/c15-12-9-13(17-5-16-12)19(6-18-9)14-11(23)10(22)8(24-14)4-25-2-1-7(21)3-20/h5-8,10-11,14,20-23H,1-4H2,(H2,15,16,17)/t7?,8-,10-,11-,14-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 5.40E+5n/an/an/a7.625



University of Cambridge



Assay Description
The dissociation constants and enthalpies was determined by isothermal titration calorimety.


Chembiochem 10: 2772-9 (2009)

Checked by Author
Article DOI: 10.1002/cbic.200900537
BindingDB Entry DOI: 10.7270/Q21J988R
More data for this
Ligand-Target Pair
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM84862
PNG
(5'-Deoxy-5'-thiodenosine scaffold, 6)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CS)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H13N5O3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(1-19)18-10/h2-4,6-7,10,16-17,19H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/an/a 3.80E+5n/an/an/a7.625



University of Cambridge



Assay Description
The dissociation constants and enthalpies was determined by isothermal titration calorimety.


Chembiochem 10: 2772-9 (2009)

Checked by Author
Article DOI: 10.1002/cbic.200900537
BindingDB Entry DOI: 10.7270/Q21J988R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM84863
PNG
(5'-Deoxy-5'-thiodenosine scaffold, 14a)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSSCc2ccccc2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H19N5O3S2/c18-15-12-16(20-8-19-15)22(9-21-12)17-14(24)13(23)11(25-17)7-27-26-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,23-24H,6-7H2,(H2,18,19,20)/t11-,13-,14-,17-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/a 2.10E+5n/an/an/a7.625



University of Cambridge



Assay Description
The dissociation constants and enthalpies was determined by isothermal titration calorimety.


Chembiochem 10: 2772-9 (2009)

Checked by Author
Article DOI: 10.1002/cbic.200900537
BindingDB Entry DOI: 10.7270/Q21J988R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM84864
PNG
(5'-Deoxy-5'-thiodenosine scaffold, 14b)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSSCc2cccc(c2)N(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H18N6O5S2/c18-15-12-16(20-7-19-15)22(8-21-12)17-14(25)13(24)11(28-17)6-30-29-5-9-2-1-3-10(4-9)23(26)27/h1-4,7-8,11,13-14,17,24-25H,5-6H2,(H2,18,19,20)/t11-,13-,14-,17-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 8.00E+4n/an/an/a7.625



University of Cambridge



Assay Description
The dissociation constants and enthalpies was determined by isothermal titration calorimety.


Chembiochem 10: 2772-9 (2009)

Checked by Author
Article DOI: 10.1002/cbic.200900537
BindingDB Entry DOI: 10.7270/Q21J988R
More data for this
Ligand-Target Pair
Found 5 hits of Isothermal Titration Calorimetry Data.
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kJ/mole
-TΔS°
kJ/mole
ΔH°
kJ/mole
log KpHTemp
°C
Pantothenate synthetase

(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM84862
JPEG
(5'-Deoxy-5'-thiodenosine scaffold, 6)
GoogleScholar
PDB
CHEBI
MMDB
PC cid
PC sid
PDB
n/an/a-93.8n/a7.6025



University of Cambridge





Chembiochem 10: 2772-9 (2009)

Pantothenate synthetase

(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM84863
JPEG
(5'-Deoxy-5'-thiodenosine scaffold, 14a)
GoogleScholar
PDB
MMDB
PC cid
PC sid
PDB
n/an/a-59.9n/a7.6025



University of Cambridge





Chembiochem 10: 2772-9 (2009)

Pantothenate synthetase

(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM84866
JPEG
(5'-Deoxy-5'-thiodenosine scaffold, 18)
GoogleScholar
PDB
PC cid
PC sid
n/an/a-125n/a7.6025



University of Cambridge





Chembiochem 10: 2772-9 (2009)

Pantothenate synthetase

(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM84865
JPEG
(5'-Deoxy-5'-thiodenosine scaffold, 14c)
GoogleScholar
PDB
PC cid
PC sid
n/an/a-49.4n/a7.6025



University of Cambridge





Chembiochem 10: 2772-9 (2009)

Pantothenate synthetase

(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM84864
JPEG
(5'-Deoxy-5'-thiodenosine scaffold, 14b)
GoogleScholar
PDB
PC cid
PC sid
n/an/a-19n/a7.6025



University of Cambridge





Chembiochem 10: 2772-9 (2009)

* indicates data uncertainty>20%