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Compile Data Set for Download or QSAR

Found 3 hits of ki for monomerid = 50131916   
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
Thymidylate kinase


(Mycobacterium tuberculosis)
BDBM50131916
PNG
(Phosphoric acid mono-[3-azidomethyl-5-(5-methyl-2,...)
Show SMILES Cc1cn([C@H]2C[C@H](CN=[N+]=[N-])[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H16N5O7P/c1-6-4-16(11(18)14-10(6)17)9-2-7(3-13-15-12)8(23-9)5-22-24(19,20)21/h4,7-9H,2-3,5H2,1H3,(H,14,17,18)(H2,19,20,21)/p-2/t7-,8-,9-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.00E+4n/an/an/an/an/an/an/an/a



Kyushu Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis thymidine monophosphate kinase


Eur J Med Chem 60: 333-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.012
BindingDB Entry DOI: 10.7270/Q2DZ09MS
More data for this
Ligand-Target Pair
Thymidylate kinase


(Mycobacterium tuberculosis)
BDBM50131916
PNG
(Phosphoric acid mono-[3-azidomethyl-5-(5-methyl-2,...)
Show SMILES Cc1cn([C@H]2C[C@H](CN=[N+]=[N-])[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H16N5O7P/c1-6-4-16(11(18)14-10(6)17)9-2-7(3-13-15-12)8(23-9)5-22-24(19,20)21/h4,7-9H,2-3,5H2,1H3,(H,14,17,18)(H2,19,20,21)/p-2/t7-,8-,9-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.20E+4n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
In Vitro inhibition of Thymidine Monophosphatase Kinase of Mycobacterium tuberculosis (TMPKm)


J Med Chem 46: 3811-21 (2003)


Article DOI: 10.1021/jm021108n
BindingDB Entry DOI: 10.7270/Q2MS3TGG
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM50131916
PNG
(Phosphoric acid mono-[3-azidomethyl-5-(5-methyl-2,...)
Show SMILES Cc1cn([C@H]2C[C@H](CN=[N+]=[N-])[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H16N5O7P/c1-6-4-16(11(18)14-10(6)17)9-2-7(3-13-15-12)8(23-9)5-22-24(19,20)21/h4,7-9H,2-3,5H2,1H3,(H,14,17,18)(H2,19,20,21)/p-2/t7-,8-,9-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.20E+4n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
In Vitro inhibition of Thymidine Monophosphatase Kinase (TMPKh)


J Med Chem 46: 3811-21 (2003)


Article DOI: 10.1021/jm021108n
BindingDB Entry DOI: 10.7270/Q2MS3TGG
More data for this
Ligand-Target Pair