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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Mevalonate kinase' and Ligand = 'BDBM38530'   
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
Mevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38530
PNG
(2-(5-Methoxy-1H-indol-3-yl)-5,7-dimethyl-1,3-diaza...)
Show SMILES COc1ccc2[nH]cc(C3N4CC5(C)CN3CC(C)(C4)C5=O)c2c1 |TLB:19:17:10.9.11:14,13:12:9:17.19.16,18:17:9:12.11.14,18:17:10.9.11:14,8:9:12.11.14:17.19.16,8:9:14:17.16.20,THB:19:10:14:17.16.20,20:17:9:12.11.14|
Show InChI InChI=1S/C19H23N3O2/c1-18-8-21-10-19(2,17(18)23)11-22(9-18)16(21)14-7-20-15-5-4-12(24-3)6-13(14)15/h4-7,16,20H,8-11H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a>1.00E+7n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q27P8WSS
More data for this
Ligand-Target Pair
Mevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38530
PNG
(2-(5-Methoxy-1H-indol-3-yl)-5,7-dimethyl-1,3-diaza...)
Show SMILES COc1ccc2[nH]cc(C3N4CC5(C)CN3CC(C)(C4)C5=O)c2c1 |TLB:19:17:10.9.11:14,13:12:9:17.19.16,18:17:9:12.11.14,18:17:10.9.11:14,8:9:12.11.14:17.19.16,8:9:14:17.16.20,THB:19:10:14:17.16.20,20:17:9:12.11.14|
Show InChI InChI=1S/C19H23N3O2/c1-18-8-21-10-19(2,17(18)23)11-22(9-18)16(21)14-7-20-15-5-4-12(24-3)6-13(14)15/h4-7,16,20H,8-11H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a>1.00E+7n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2CF9NG2
More data for this
Ligand-Target Pair
Mevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38530
PNG
(2-(5-Methoxy-1H-indol-3-yl)-5,7-dimethyl-1,3-diaza...)
Show SMILES COc1ccc2[nH]cc(C3N4CC5(C)CN3CC(C)(C4)C5=O)c2c1 |TLB:19:17:10.9.11:14,13:12:9:17.19.16,18:17:9:12.11.14,18:17:10.9.11:14,8:9:12.11.14:17.19.16,8:9:14:17.16.20,THB:19:10:14:17.16.20,20:17:9:12.11.14|
Show InChI InChI=1S/C19H23N3O2/c1-18-8-21-10-19(2,17(18)23)11-22(9-18)16(21)14-7-20-15-5-4-12(24-3)6-13(14)15/h4-7,16,20H,8-11H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a>1.00E+7n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q23X852V
More data for this
Ligand-Target Pair