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Compile Data Set for Download or QSAR

Found 5 hits of ic50 for UniProtKB: P9WH09   
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
dTDP-4-dehydrorhamnose 3,5-epimerase/reductase


(Mycobacterium tuberculosis-Mycobacterium tuberculo...)
BDBM51599
PNG
(3-[3-[(5-ethyl-[1,2,4]triazin[5,6-b]indol-3-yl)thi...)
Show SMILES CCn1c2ccccc2c2nnc(SCCCn3c4ccccc4[nH]c3=O)nc12
Show InChI InChI=1S/C21H20N6OS/c1-2-26-16-10-5-3-8-14(16)18-19(26)23-20(25-24-18)29-13-7-12-27-17-11-6-4-9-15(17)22-21(27)28/h3-6,8-11H,2,7,12-13H2,1H3,(H,22,28)
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n/an/a 398n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis RmlC/RmlD expressed in Escherichia coli by spectrophotometry


Bioorg Med Chem 18: 896-908 (2010)


Article DOI: 10.1016/j.bmc.2009.11.033
BindingDB Entry DOI: 10.7270/Q2N300SV
More data for this
Ligand-Target Pair
dTDP-4-dehydrorhamnose reductase


(Mycobacterium tuberculosis)
BDBM50206442
PNG
(2,6,7-trihydroxy-9-phenyl-3H-xanthen-3-one | CHEMB...)
Show SMILES Oc1cc2oc3cc(=O)c(O)cc3c(-c3ccccc3)c2cc1O
Show InChI InChI=1S/C19H12O5/c20-13-6-11-17(8-15(13)22)24-18-9-16(23)14(21)7-12(18)19(11)10-4-2-1-3-5-10/h1-9,20-22H
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PubMed
n/an/a 900n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis RmlD assessed as inhibition of dTDP-beta-6-deoxy-L-lyxo-4-hexulose to dTDP-beta-L-rhamnose conversion


Bioorg Med Chem Lett 21: 7064-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.094
BindingDB Entry DOI: 10.7270/Q2RB752H
More data for this
Ligand-Target Pair
dTDP-4-dehydrorhamnose reductase


(Mycobacterium tuberculosis)
BDBM51252
PNG
(2,6,7-trihydroxy-9-(2-hydroxyphenyl)-3-xanthenone ...)
Show SMILES Oc1cc2oc3cc(=O)c(O)cc3c(-c3ccccc3O)c2cc1O |(14.78,-3.39,;13.45,-2.62,;12.05,-3.41,;10.68,-2.58,;9.34,-3.35,;8.01,-2.58,;6.63,-3.41,;5.24,-2.62,;3.91,-3.39,;5.24,-1.01,;3.91,-.24,;6.63,-.22,;8.01,-1.04,;9.34,-.27,;9.34,1.27,;8.01,2.04,;8.01,3.58,;9.34,4.35,;10.68,3.58,;10.68,2.04,;12.01,1.27,;10.68,-1.04,;12.05,-.22,;13.45,-1.01,;14.78,-.24,)|
Show InChI InChI=1S/C19H12O6/c20-12-4-2-1-3-9(12)19-10-5-13(21)15(23)7-17(10)25-18-8-16(24)14(22)6-11(18)19/h1-8,20-23H
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n/an/a 2.10E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis RmlD assessed as inhibition of dTDP-beta-6-deoxy-L-lyxo-4-hexulose to dTDP-beta-L-rhamnose conversion


Bioorg Med Chem Lett 21: 7064-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.094
BindingDB Entry DOI: 10.7270/Q2RB752H
More data for this
Ligand-Target Pair
dTDP-4-dehydrorhamnose reductase


(Mycobacterium tuberculosis)
BDBM50056938
PNG
(2,6,7-Trihydroxy-9-methyl-xanthen-3-one | CHEMBL17...)
Show SMILES Cc1c2cc(O)c(O)cc2oc2cc(=O)c(O)cc12
Show InChI InChI=1S/C14H10O5/c1-6-7-2-9(15)11(17)4-13(7)19-14-5-12(18)10(16)3-8(6)14/h2-5,15-17H,1H3
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PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis RmlD assessed as inhibition of dTDP-beta-6-deoxy-L-lyxo-4-hexulose to dTDP-beta-L-rhamnose conversion


Bioorg Med Chem Lett 21: 7064-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.094
BindingDB Entry DOI: 10.7270/Q2RB752H
More data for this
Ligand-Target Pair
dTDP-4-dehydrorhamnose reductase


(Mycobacterium tuberculosis)
BDBM50180512
PNG
(1-methyl-5-vinyl-9,10-dihydrophenanthrene-2,7-diol...)
Show SMILES Cc1c(O)ccc-2c1CCc1cc(O)cc(C=C)c-21
Show InChI InChI=1S/C17H16O2/c1-3-11-8-13(18)9-12-4-5-14-10(2)16(19)7-6-15(14)17(11)12/h3,6-9,18-19H,1,4-5H2,2H3
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CHEMBL
MCE
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UniChem
Article
PubMed
n/an/a 2.50E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis RmlD assessed as inhibition of dTDP-beta-6-deoxy-L-lyxo-4-hexulose to dTDP-beta-L-rhamnose conversion


Bioorg Med Chem Lett 21: 7064-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.094
BindingDB Entry DOI: 10.7270/Q2RB752H
More data for this
Ligand-Target Pair