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Compile Data Set for Download or QSAR

Found 9 hits of kd data for polymerid = 2417,2418,2419,2420,4804,4805,9986   
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
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50276580
PNG
(4-((cyclohexylimino)methyl)benzene-1,3-diol | CHEM...)
Show SMILES Oc1ccc(\C=N\C2CCCCC2)c(O)c1
Show InChI InChI=1S/C13H17NO2/c15-12-7-6-10(13(16)8-12)9-14-11-4-2-1-3-5-11/h6-9,11,15-16H,1-5H2/b14-9+
PDB
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UniProtKB/TrEMBL

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 20n/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Binding affinity to Escherichia coli K12 KAS 3 expressed in Escherichia coli BL21 by fluorescence quenching analysis


Bioorg Med Chem 17: 1506-13 (2009)


Article DOI: 10.1016/j.bmc.2009.01.004
BindingDB Entry DOI: 10.7270/Q2XS5V8R
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50276687
PNG
(3-(1-(3,4-dihydroxyphenyl)-1-oxopropan-2-yl)-6,7-d...)
Show SMILES COc1ccc2C(OC(=O)c2c1OC)C(C)C(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C19H18O7/c1-9(16(22)10-4-6-12(20)13(21)8-10)17-11-5-7-14(24-2)18(25-3)15(11)19(23)26-17/h4-9,17,20-21H,1-3H3
PDB
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UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 1.22E+3n/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Binding affinity to Escherichia coli K12 KAS 3 expressed in Escherichia coli BL21 by fluorescence quenching analysis


Bioorg Med Chem 17: 1506-13 (2009)


Article DOI: 10.1016/j.bmc.2009.01.004
BindingDB Entry DOI: 10.7270/Q2XS5V8R
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50241313
PNG
((5R)-4-hydroxy-3,5-dimethyl-5-[(1E)-2-methylbuta-1...)
Show SMILES CC1C(=O)S[C@](C)(\C=C(/C)C=C)C1=O
Show InChI InChI=1S/C11H14O2S/c1-5-7(2)6-11(4)9(12)8(3)10(13)14-11/h5-6,8H,1H2,2-4H3/b7-6+/t8?,11-/m1/s1
PDB
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Article
PubMed
n/an/an/a 1.21E+5n/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Binding affinity to Escherichia coli K12 KAS 3 expressed in Escherichia coli BL21 by fluorescence quenching analysis


Bioorg Med Chem 17: 1506-13 (2009)


Article DOI: 10.1016/j.bmc.2009.01.004
BindingDB Entry DOI: 10.7270/Q2XS5V8R
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50276688
PNG
(3-(1-methyl-4-(phenylamino)-1H-pyrazolo[3,4-d]pyri...)
Show SMILES Cn1ncc2c(Nc3ccccc3)nc(NCCCO)nc12
Show InChI InChI=1S/C15H18N6O/c1-21-14-12(10-17-21)13(18-11-6-3-2-4-7-11)19-15(20-14)16-8-5-9-22/h2-4,6-7,10,22H,5,8-9H2,1H3,(H2,16,18,19,20)
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Article
PubMed
n/an/an/a 1.41E+5n/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Binding affinity to Escherichia coli K12 KAS 3 expressed in Escherichia coli BL21 by fluorescence quenching analysis


Bioorg Med Chem 17: 1506-13 (2009)


Article DOI: 10.1016/j.bmc.2009.01.004
BindingDB Entry DOI: 10.7270/Q2XS5V8R
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50276579
PNG
(2-hydroxy-5-(2-nitrobenzamido)benzoic acid | CHEMB...)
Show SMILES OC(=O)c1cc(NC(=O)c2ccccc2[N+]([O-])=O)ccc1O
Show InChI InChI=1S/C14H10N2O6/c17-12-6-5-8(7-10(12)14(19)20)15-13(18)9-3-1-2-4-11(9)16(21)22/h1-7,17H,(H,15,18)(H,19,20)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a>1.00E+6n/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Binding affinity to Escherichia coli K12 KAS 3 expressed in Escherichia coli BL21 by fluorescence quenching analysis


Bioorg Med Chem 17: 1506-13 (2009)


Article DOI: 10.1016/j.bmc.2009.01.004
BindingDB Entry DOI: 10.7270/Q2XS5V8R
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50276635
PNG
(2-hydroxy-5-(5-methyl-4-oxo-2-thioxotetrahydropyri...)
Show SMILES CC1CN(C(=S)NC1=O)c1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C12H12N2O4S/c1-6-5-14(12(19)13-10(6)16)7-2-3-9(15)8(4-7)11(17)18/h2-4,6,15H,5H2,1H3,(H,17,18)(H,13,16,19)
PDB
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UniProtKB/TrEMBL

B.MOAD
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GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a>1.00E+6n/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Binding affinity to Escherichia coli K12 KAS 3 expressed in Escherichia coli BL21 by fluorescence quenching analysis


Bioorg Med Chem 17: 1506-13 (2009)


Article DOI: 10.1016/j.bmc.2009.01.004
BindingDB Entry DOI: 10.7270/Q2XS5V8R
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50276578
PNG
(3-(1-(2-(4-methylthiazol-2-yl)hydrazono)ethyl)phen...)
Show SMILES CC(N=Nc1nc(C)cs1)c1cccc(O)c1
Show InChI InChI=1S/C12H13N3OS/c1-8-7-17-12(13-8)15-14-9(2)10-4-3-5-11(16)6-10/h3-7,9,16H,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a>1.00E+6n/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Binding affinity to Escherichia coli K12 KAS 3 expressed in Escherichia coli BL21 by fluorescence quenching analysis


Bioorg Med Chem 17: 1506-13 (2009)


Article DOI: 10.1016/j.bmc.2009.01.004
BindingDB Entry DOI: 10.7270/Q2XS5V8R
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50276689
PNG
(7-(allylthio)-3-methyl-6,7-dihydro-4H-[1,3,4]thiad...)
Show SMILES Cc1nnc2SC(Nn2c1=O)SCC=C
Show InChI InChI=1S/C8H10N4OS2/c1-3-4-14-8-11-12-6(13)5(2)9-10-7(12)15-8/h3,8,11H,1,4H2,2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a>1.00E+6n/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Binding affinity to Escherichia coli K12 KAS 3 expressed in Escherichia coli BL21 by fluorescence quenching analysis


Bioorg Med Chem 17: 1506-13 (2009)


Article DOI: 10.1016/j.bmc.2009.01.004
BindingDB Entry DOI: 10.7270/Q2XS5V8R
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50276636
PNG
(3,3-dimethyl-5-oxo-5-(2-(2-oxoimidazolidin-1-yl)et...)
Show SMILES CC(C)(CC(O)=O)CC(=O)NCCN1CCNC1=O
Show InChI InChI=1S/C12H21N3O4/c1-12(2,8-10(17)18)7-9(16)13-3-5-15-6-4-14-11(15)19/h3-8H2,1-2H3,(H,13,16)(H,14,19)(H,17,18)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a>1.00E+6n/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Binding affinity to Escherichia coli K12 KAS 3 expressed in Escherichia coli BL21 by fluorescence quenching analysis


Bioorg Med Chem 17: 1506-13 (2009)


Article DOI: 10.1016/j.bmc.2009.01.004
BindingDB Entry DOI: 10.7270/Q2XS5V8R
More data for this
Ligand-Target Pair