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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Ribokinase' AND taxid = 83333   
Target
(Institution)
LigandTarget
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
Ribokinase


(Escherichia coli (strain K12))
BDBM50255788
PNG
(((1,3-Benzothiazol-2-ylmethyl){[4-methyl-2-(2-naph...)
Show SMILES Cc1nc(sc1C(=O)N(CC(O)=O)Cc1nc2ccccc2s1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C25H19N3O3S2/c1-15-23(33-24(26-15)18-11-10-16-6-2-3-7-17(16)12-18)25(31)28(14-22(29)30)13-21-27-19-8-4-5-9-20(19)32-21/h2-12H,13-14H2,1H3,(H,29,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
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AffyNet 
Article
PubMed
n/an/a>3.30E+4n/an/an/an/an/an/a



MUTABILIS SA

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli K12 MG1655 ribokinase by luminescent assay


Citation and Details
More data for this
Ligand-Target Pair
Ribokinase


(Escherichia coli (strain K12))
BDBM50255846
PNG
(((1,3-Benzothiazol-2-ylmethyl){[2-(1H-indol-5-yl)-...)
Show SMILES Cc1nc(sc1C(=O)N(CC(O)=O)Cc1nc2ccccc2s1)-c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C23H18N4O3S2/c1-13-21(32-22(25-13)15-6-7-16-14(10-15)8-9-24-16)23(30)27(12-20(28)29)11-19-26-17-4-2-3-5-18(17)31-19/h2-10,24H,11-12H2,1H3,(H,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



MUTABILIS SA

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli K12 MG1655 ribokinase by luminescent assay


Citation and Details
More data for this
Ligand-Target Pair
Ribokinase


(Escherichia coli (strain K12))
BDBM50255785
PNG
(((1,3-Benzothiazol-2-ylmethyl){[4-methyl-2-(3-nitr...)
Show SMILES Cc1nc(sc1C(=O)N(CC(O)=O)Cc1nc2ccccc2s1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C21H16N4O5S2/c1-12-19(32-20(22-12)13-5-4-6-14(9-13)25(29)30)21(28)24(11-18(26)27)10-17-23-15-7-2-3-8-16(15)31-17/h2-9H,10-11H2,1H3,(H,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a>3.00E+5n/an/an/an/an/an/a



MUTABILIS SA

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli K12 MG1655 ribokinase by luminescent assay


Citation and Details
More data for this
Ligand-Target Pair
Ribokinase


(Escherichia coli (strain K12))
BDBM50255677
PNG
(2-(N-(benzo[d]thiazol-2-ylmethyl)-2-(3-methoxyphen...)
Show SMILES COc1cccc(c1)-c1nc(C)c(o1)C(=O)N(CC(O)=O)Cc1nc2ccccc2s1
Show InChI InChI=1S/C22H19N3O5S/c1-13-20(30-21(23-13)14-6-5-7-15(10-14)29-2)22(28)25(12-19(26)27)11-18-24-16-8-3-4-9-17(16)31-18/h3-10H,11-12H2,1-2H3,(H,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

AffyNet 
Article
PubMed
n/an/a>3.00E+5n/an/an/an/an/an/a



MUTABILIS SA

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli K12 MG1655 ribokinase by luminescent assay


Citation and Details
More data for this
Ligand-Target Pair
Ribokinase


(Escherichia coli (strain K12))
BDBM50255404
PNG
(CHEMBL521240 | [{[5-Methyl-2-(3-nitrophenyl)-1,3-o...)
Show SMILES Cc1oc(nc1C(=O)N(CC(O)=O)Cc1ccccn1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C19H16N4O6/c1-12-17(21-18(29-12)13-5-4-7-15(9-13)23(27)28)19(26)22(11-16(24)25)10-14-6-2-3-8-20-14/h2-9H,10-11H2,1H3,(H,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a>3.00E+5n/an/an/an/an/an/a



MUTABILIS SA

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli K12 MG1655 ribokinase by luminescent assay


Citation and Details
More data for this
Ligand-Target Pair
Ribokinase


(Escherichia coli (strain K12))
BDBM50255451
PNG
(CHEMBL480811 | [{[2-(3-Methoxyphenyl)-5-methyl-1,3...)
Show SMILES COc1cccc(c1)-c1nc(C(=O)N(CC(O)=O)Cc2ccccn2)c(C)o1
Show InChI InChI=1S/C20H19N3O5/c1-13-18(22-19(28-13)14-6-5-8-16(10-14)27-2)20(26)23(12-17(24)25)11-15-7-3-4-9-21-15/h3-10H,11-12H2,1-2H3,(H,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a>3.00E+5n/an/an/an/an/an/a



MUTABILIS SA

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli K12 MG1655 ribokinase by luminescent assay


Citation and Details
More data for this
Ligand-Target Pair