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Compile Data Set for Download or QSAR

Found 284 hits Enz. Inhib. hit(s) with Target = 'Beta-ketoacyl-ACP synthase III (FabH)'   
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)
BDBM50349524
PNG
(CHEMBL1808849)
Show SMILES Oc1ccc(Br)cc1CN(C(=O)Nc1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H16BrClN2O2/c21-15-6-11-19(25)14(12-15)13-24(18-9-7-16(22)8-10-18)20(26)23-17-4-2-1-3-5-17/h1-12,25H,13H2,(H,23,26)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.00000103n/an/an/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli FabH expressed in Escherichia coli DH10B cells assessed as incorporation of 3H signal in the product after 25 mins by ...


Bioorg Med Chem 19: 4413-20 (2011)


Article DOI: 10.1016/j.bmc.2011.06.049
BindingDB Entry DOI: 10.7270/Q2HD7W18
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50349326
PNG
(CHEMBL1807657)
Show SMILES CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)\C=C\c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H21N3O4/c1-16(15-24-17(2)23-14-21(24)25(27)28)29-22(26)13-10-18-8-11-20(12-9-18)19-6-4-3-5-7-19/h3-14,16H,15H2,1-2H3/b13-10+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.00000156n/an/an/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged Escherichia coli FabH expressed in Escherichia coli BL21 (DE3) using [3H]acetyl-coA after 25 mins by liquid scint...


Bioorg Med Chem 19: 4513-9 (2011)


Article DOI: 10.1016/j.bmc.2011.06.021
BindingDB Entry DOI: 10.7270/Q2XK8FWX
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50349522
PNG
(CHEMBL1808847)
Show SMILES Oc1ccc(Br)cc1CN(C(=O)Nc1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C20H16BrFN2O2/c21-15-6-11-19(25)14(12-15)13-24(18-9-7-16(22)8-10-18)20(26)23-17-4-2-1-3-5-17/h1-12,25H,13H2,(H,23,26)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.00000161n/an/an/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli FabH expressed in Escherichia coli DH10B cells assessed as incorporation of 3H signal in the product after 25 mins by ...


Bioorg Med Chem 19: 4413-20 (2011)


Article DOI: 10.1016/j.bmc.2011.06.049
BindingDB Entry DOI: 10.7270/Q2HD7W18
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50349526
PNG
(CHEMBL1808851)
Show SMILES Oc1ccc(Br)cc1CN(C(=O)Nc1ccccc1)c1ccc(Br)cc1
Show InChI InChI=1S/C20H16Br2N2O2/c21-15-6-9-18(10-7-15)24(13-14-12-16(22)8-11-19(14)25)20(26)23-17-4-2-1-3-5-17/h1-12,25H,13H2,(H,23,26)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.00000548n/an/an/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli FabH expressed in Escherichia coli DH10B cells assessed as incorporation of 3H signal in the product after 25 mins by ...


Bioorg Med Chem 19: 4413-20 (2011)


Article DOI: 10.1016/j.bmc.2011.06.049
BindingDB Entry DOI: 10.7270/Q2HD7W18
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50349525
PNG
(CHEMBL1808850)
Show SMILES Oc1ccc(Br)cc1CN(C(=O)Nc1ccccc1)c1ccccc1Br
Show InChI InChI=1S/C20H16Br2N2O2/c21-15-10-11-19(25)14(12-15)13-24(18-9-5-4-8-17(18)22)20(26)23-16-6-2-1-3-7-16/h1-12,25H,13H2,(H,23,26)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.00000706n/an/an/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli FabH expressed in Escherichia coli DH10B cells assessed as incorporation of 3H signal in the product after 25 mins by ...


Bioorg Med Chem 19: 4413-20 (2011)


Article DOI: 10.1016/j.bmc.2011.06.049
BindingDB Entry DOI: 10.7270/Q2HD7W18
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50349530
PNG
(CHEMBL1808855)
Show SMILES Oc1c(Br)cc(Br)cc1CN(C(=O)Nc1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C20H15Br2FN2O2/c21-14-10-13(19(26)18(22)11-14)12-25(17-8-6-15(23)7-9-17)20(27)24-16-4-2-1-3-5-16/h1-11,26H,12H2,(H,24,27)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.00000713n/an/an/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli FabH expressed in Escherichia coli DH10B cells assessed as incorporation of 3H signal in the product after 25 mins by ...


Bioorg Med Chem 19: 4413-20 (2011)


Article DOI: 10.1016/j.bmc.2011.06.049
BindingDB Entry DOI: 10.7270/Q2HD7W18
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50349529
PNG
(CHEMBL1808854)
Show SMILES Oc1c(Br)cc(Br)cc1CN(C(=O)Nc1ccccc1)c1ccccc1F
Show InChI InChI=1S/C20H15Br2FN2O2/c21-14-10-13(19(26)16(22)11-14)12-25(18-9-5-4-8-17(18)23)20(27)24-15-6-2-1-3-7-15/h1-11,26H,12H2,(H,24,27)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.00000800n/an/an/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli FabH expressed in Escherichia coli DH10B cells assessed as incorporation of 3H signal in the product after 25 mins by ...


Bioorg Med Chem 19: 4413-20 (2011)


Article DOI: 10.1016/j.bmc.2011.06.049
BindingDB Entry DOI: 10.7270/Q2HD7W18
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50349531
PNG
(CHEMBL1808856)
Show SMILES Oc1c(Br)cc(Br)cc1CN(C(=O)Nc1ccccc1)c1ccccc1Cl
Show InChI InChI=1S/C20H15Br2ClN2O2/c21-14-10-13(19(26)16(22)11-14)12-25(18-9-5-4-8-17(18)23)20(27)24-15-6-2-1-3-7-15/h1-11,26H,12H2,(H,24,27)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.00000843n/an/an/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli FabH expressed in Escherichia coli DH10B cells assessed as incorporation of 3H signal in the product after 25 mins by ...


Bioorg Med Chem 19: 4413-20 (2011)


Article DOI: 10.1016/j.bmc.2011.06.049
BindingDB Entry DOI: 10.7270/Q2HD7W18
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50349532
PNG
(CHEMBL1808857)
Show SMILES Oc1c(Br)cc(Br)cc1CN(C(=O)Nc1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H15Br2ClN2O2/c21-14-10-13(19(26)18(22)11-14)12-25(17-8-6-15(23)7-9-17)20(27)24-16-4-2-1-3-5-16/h1-11,26H,12H2,(H,24,27)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.00000911n/an/an/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli FabH expressed in Escherichia coli DH10B cells assessed as incorporation of 3H signal in the product after 25 mins by ...


Bioorg Med Chem 19: 4413-20 (2011)


Article DOI: 10.1016/j.bmc.2011.06.049
BindingDB Entry DOI: 10.7270/Q2HD7W18
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50349327
PNG
(CHEMBL1807658)
Show SMILES CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)\C=C\c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C23H23N3O5/c1-17(15-25-18(2)24-14-22(25)26(28)29)31-23(27)13-10-19-8-11-21(12-9-19)30-16-20-6-4-3-5-7-20/h3-14,17H,15-16H2,1-2H3/b13-10+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0000100n/an/an/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged Escherichia coli FabH expressed in Escherichia coli BL21 (DE3) using [3H]acetyl-coA after 25 mins by liquid scint...


Bioorg Med Chem 19: 4513-9 (2011)


Article DOI: 10.1016/j.bmc.2011.06.021
BindingDB Entry DOI: 10.7270/Q2XK8FWX
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50349523
PNG
(CHEMBL1808848)
Show SMILES Oc1ccc(Br)cc1CN(C(=O)Nc1ccccc1)c1ccccc1Cl
Show InChI InChI=1S/C20H16BrClN2O2/c21-15-10-11-19(25)14(12-15)13-24(18-9-5-4-8-17(18)22)20(26)23-16-6-2-1-3-7-16/h1-12,25H,13H2,(H,23,26)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0000124n/an/an/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli FabH expressed in Escherichia coli DH10B cells assessed as incorporation of 3H signal in the product after 25 mins by ...


Bioorg Med Chem 19: 4413-20 (2011)


Article DOI: 10.1016/j.bmc.2011.06.049
BindingDB Entry DOI: 10.7270/Q2HD7W18
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50349534
PNG
(CHEMBL1808859)
Show SMILES Oc1c(Br)cc(Br)cc1CN(C(=O)Nc1ccccc1)c1ccc(Br)cc1
Show InChI InChI=1S/C20H15Br3N2O2/c21-14-6-8-17(9-7-14)25(20(27)24-16-4-2-1-3-5-16)12-13-10-15(22)11-18(23)19(13)26/h1-11,26H,12H2,(H,24,27)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0000172n/an/an/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli FabH expressed in Escherichia coli DH10B cells assessed as incorporation of 3H signal in the product after 25 mins by ...


Bioorg Med Chem 19: 4413-20 (2011)


Article DOI: 10.1016/j.bmc.2011.06.049
BindingDB Entry DOI: 10.7270/Q2HD7W18
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50349535
PNG
(CHEMBL1808860)
Show SMILES Cc1ccc(cc1)N(Cc1cc(Br)cc(Br)c1O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C21H18Br2N2O2/c1-14-7-9-18(10-8-14)25(21(27)24-17-5-3-2-4-6-17)13-15-11-16(22)12-19(23)20(15)26/h2-12,26H,13H2,1H3,(H,24,27)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0000246n/an/an/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli FabH expressed in Escherichia coli DH10B cells assessed as incorporation of 3H signal in the product after 25 mins by ...


Bioorg Med Chem 19: 4413-20 (2011)


Article DOI: 10.1016/j.bmc.2011.06.049
BindingDB Entry DOI: 10.7270/Q2HD7W18
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50349331
PNG
(CHEMBL1807660)
Show SMILES CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)\C=C\c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C16H15Cl2N3O4/c1-10(9-20-11(2)19-8-15(20)21(23)24)25-16(22)6-4-12-3-5-13(17)7-14(12)18/h3-8,10H,9H2,1-2H3/b6-4+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0000261n/an/an/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged Escherichia coli FabH expressed in Escherichia coli BL21 (DE3) using [3H]acetyl-coA after 25 mins by liquid scint...


Bioorg Med Chem 19: 4513-9 (2011)


Article DOI: 10.1016/j.bmc.2011.06.021
BindingDB Entry DOI: 10.7270/Q2XK8FWX
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50349332
PNG
(CHEMBL1807926)
Show SMILES CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)\C=C\c1cccc(F)c1
Show InChI InChI=1S/C16H16FN3O4/c1-11(10-19-12(2)18-9-15(19)20(22)23)24-16(21)7-6-13-4-3-5-14(17)8-13/h3-9,11H,10H2,1-2H3/b7-6+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0000336n/an/an/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged Escherichia coli FabH expressed in Escherichia coli BL21 (DE3) using [3H]acetyl-coA after 25 mins by liquid scint...


Bioorg Med Chem 19: 4513-9 (2011)


Article DOI: 10.1016/j.bmc.2011.06.021
BindingDB Entry DOI: 10.7270/Q2XK8FWX
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50349528
PNG
(CHEMBL1808853)
Show SMILES COc1ccc(cc1)N(Cc1cc(Br)ccc1O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C21H19BrN2O3/c1-27-19-10-8-18(9-11-19)24(14-15-13-16(22)7-12-20(15)25)21(26)23-17-5-3-2-4-6-17/h2-13,25H,14H2,1H3,(H,23,26)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0000356n/an/an/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli FabH expressed in Escherichia coli DH10B cells assessed as incorporation of 3H signal in the product after 25 mins by ...


Bioorg Med Chem 19: 4413-20 (2011)


Article DOI: 10.1016/j.bmc.2011.06.049
BindingDB Entry DOI: 10.7270/Q2HD7W18
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50349521
PNG
(CHEMBL1808846)
Show SMILES Oc1ccc(Br)cc1CN(C(=O)Nc1ccccc1)c1ccccc1F
Show InChI InChI=1S/C20H16BrFN2O2/c21-15-10-11-19(25)14(12-15)13-24(18-9-5-4-8-17(18)22)20(26)23-16-6-2-1-3-7-16/h1-12,25H,13H2,(H,23,26)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0000384n/an/an/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli FabH expressed in Escherichia coli DH10B cells assessed as incorporation of 3H signal in the product after 25 mins by ...


Bioorg Med Chem 19: 4413-20 (2011)


Article DOI: 10.1016/j.bmc.2011.06.049
BindingDB Entry DOI: 10.7270/Q2HD7W18
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50349527
PNG
(CHEMBL1808852)
Show SMILES Cc1ccc(cc1)N(Cc1cc(Br)ccc1O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C21H19BrN2O2/c1-15-7-10-19(11-8-15)24(14-16-13-17(22)9-12-20(16)25)21(26)23-18-5-3-2-4-6-18/h2-13,25H,14H2,1H3,(H,23,26)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0000578n/an/an/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli FabH expressed in Escherichia coli DH10B cells assessed as incorporation of 3H signal in the product after 25 mins by ...


Bioorg Med Chem 19: 4413-20 (2011)


Article DOI: 10.1016/j.bmc.2011.06.049
BindingDB Entry DOI: 10.7270/Q2HD7W18
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50349324
PNG
(CHEMBL1807653)
Show SMILES CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)\C=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C16H16ClN3O4/c1-11(10-19-12(2)18-9-15(19)20(22)23)24-16(21)8-5-13-3-6-14(17)7-4-13/h3-9,11H,10H2,1-2H3/b8-5+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0000640n/an/an/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged Escherichia coli FabH expressed in Escherichia coli BL21 (DE3) using [3H]acetyl-coA after 25 mins by liquid scint...


Bioorg Med Chem 19: 4513-9 (2011)


Article DOI: 10.1016/j.bmc.2011.06.021
BindingDB Entry DOI: 10.7270/Q2XK8FWX
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50349314
PNG
(CHEMBL1807923)
Show SMILES CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)\C=C\c1ccccc1Cl
Show InChI InChI=1S/C16H16ClN3O4/c1-11(10-19-12(2)18-9-15(19)20(22)23)24-16(21)8-7-13-5-3-4-6-14(13)17/h3-9,11H,10H2,1-2H3/b8-7+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0000652n/an/an/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged Escherichia coli FabH expressed in Escherichia coli BL21 (DE3) using [3H]acetyl-coA after 25 mins by liquid scint...


Bioorg Med Chem 19: 4513-9 (2011)


Article DOI: 10.1016/j.bmc.2011.06.021
BindingDB Entry DOI: 10.7270/Q2XK8FWX
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50349325
PNG
(CHEMBL1807654)
Show SMILES CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)\C=C\c1ccc(Br)cc1
Show InChI InChI=1S/C16H16BrN3O4/c1-11(10-19-12(2)18-9-15(19)20(22)23)24-16(21)8-5-13-3-6-14(17)7-4-13/h3-9,11H,10H2,1-2H3/b8-5+
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0.0000799n/an/an/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged Escherichia coli FabH expressed in Escherichia coli BL21 (DE3) using [3H]acetyl-coA after 25 mins by liquid scint...


Bioorg Med Chem 19: 4513-9 (2011)


Article DOI: 10.1016/j.bmc.2011.06.021
BindingDB Entry DOI: 10.7270/Q2XK8FWX
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50349328
PNG
(CHEMBL1807659)
Show SMILES CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)\C=C\c1ccc(cc1)N(C)C
Show InChI InChI=1S/C18H22N4O4/c1-13(12-21-14(2)19-11-17(21)22(24)25)26-18(23)10-7-15-5-8-16(9-6-15)20(3)4/h5-11,13H,12H2,1-4H3/b10-7+
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0.000111n/an/an/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged Escherichia coli FabH expressed in Escherichia coli BL21 (DE3) using [3H]acetyl-coA after 25 mins by liquid scint...


Bioorg Med Chem 19: 4513-9 (2011)


Article DOI: 10.1016/j.bmc.2011.06.021
BindingDB Entry DOI: 10.7270/Q2XK8FWX
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50349317
PNG
(CHEMBL1807929)
Show SMILES CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)\C=C\c1ccc(F)cc1
Show InChI InChI=1S/C16H16FN3O4/c1-11(10-19-12(2)18-9-15(19)20(22)23)24-16(21)8-5-13-3-6-14(17)7-4-13/h3-9,11H,10H2,1-2H3/b8-5+
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0.000169n/an/an/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged Escherichia coli FabH expressed in Escherichia coli BL21 (DE3) using [3H]acetyl-coA after 25 mins by liquid scint...


Bioorg Med Chem 19: 4513-9 (2011)


Article DOI: 10.1016/j.bmc.2011.06.021
BindingDB Entry DOI: 10.7270/Q2XK8FWX
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50349536
PNG
(CHEMBL1808861)
Show SMILES COc1ccc(cc1)N(Cc1cc(Br)cc(Br)c1O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C21H18Br2N2O3/c1-28-18-9-7-17(8-10-18)25(21(27)24-16-5-3-2-4-6-16)13-14-11-15(22)12-19(23)20(14)26/h2-12,26H,13H2,1H3,(H,24,27)
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0.000192n/an/an/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli FabH expressed in Escherichia coli DH10B cells assessed as incorporation of 3H signal in the product after 25 mins by ...


Bioorg Med Chem 19: 4413-20 (2011)


Article DOI: 10.1016/j.bmc.2011.06.049
BindingDB Entry DOI: 10.7270/Q2HD7W18
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50349323
PNG
(CHEMBL1807927)
Show SMILES CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)\C=C\c1cccc(Br)c1
Show InChI InChI=1S/C16H16BrN3O4/c1-11(10-19-12(2)18-9-15(19)20(22)23)24-16(21)7-6-13-4-3-5-14(17)8-13/h3-9,11H,10H2,1-2H3/b7-6+
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0.000214n/an/an/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged Escherichia coli FabH expressed in Escherichia coli BL21 (DE3) using [3H]acetyl-coA after 25 mins by liquid scint...


Bioorg Med Chem 19: 4513-9 (2011)


Article DOI: 10.1016/j.bmc.2011.06.021
BindingDB Entry DOI: 10.7270/Q2XK8FWX
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50349329
PNG
(CHEMBL1807661)
Show SMILES CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)\C=C\c1cccc2ccccc12
Show InChI InChI=1S/C20H19N3O4/c1-14(13-22-15(2)21-12-19(22)23(25)26)27-20(24)11-10-17-8-5-7-16-6-3-4-9-18(16)17/h3-12,14H,13H2,1-2H3/b11-10+
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0.000443n/an/an/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged Escherichia coli FabH expressed in Escherichia coli BL21 (DE3) using [3H]acetyl-coA after 25 mins by liquid scint...


Bioorg Med Chem 19: 4513-9 (2011)


Article DOI: 10.1016/j.bmc.2011.06.021
BindingDB Entry DOI: 10.7270/Q2XK8FWX
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50349320
PNG
(CHEMBL1807662)
Show SMILES CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)\C=C\c1ccc2ccccc2c1
Show InChI InChI=1S/C20H19N3O4/c1-14(13-22-15(2)21-12-19(22)23(25)26)27-20(24)10-8-16-7-9-17-5-3-4-6-18(17)11-16/h3-12,14H,13H2,1-2H3/b10-8+
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0.000526n/an/an/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged Escherichia coli FabH expressed in Escherichia coli BL21 (DE3) using [3H]acetyl-coA after 25 mins by liquid scint...


Bioorg Med Chem 19: 4513-9 (2011)


Article DOI: 10.1016/j.bmc.2011.06.021
BindingDB Entry DOI: 10.7270/Q2XK8FWX
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50349322
PNG
(CHEMBL1807924)
Show SMILES CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)\C=C\c1ccccc1Br
Show InChI InChI=1S/C16H16BrN3O4/c1-11(10-19-12(2)18-9-15(19)20(22)23)24-16(21)8-7-13-5-3-4-6-14(13)17/h3-9,11H,10H2,1-2H3/b8-7+
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0.000529n/an/an/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged Escherichia coli FabH expressed in Escherichia coli BL21 (DE3) using [3H]acetyl-coA after 25 mins by liquid scint...


Bioorg Med Chem 19: 4513-9 (2011)


Article DOI: 10.1016/j.bmc.2011.06.021
BindingDB Entry DOI: 10.7270/Q2XK8FWX
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50349321
PNG
(CHEMBL1807663)
Show SMILES CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)\C=C\c1cccs1
Show InChI InChI=1S/C14H15N3O4S/c1-10(9-16-11(2)15-8-13(16)17(19)20)21-14(18)6-5-12-4-3-7-22-12/h3-8,10H,9H2,1-2H3/b6-5+
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0.000555n/an/an/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged Escherichia coli FabH expressed in Escherichia coli BL21 (DE3) using [3H]acetyl-coA after 25 mins by liquid scint...


Bioorg Med Chem 19: 4513-9 (2011)


Article DOI: 10.1016/j.bmc.2011.06.021
BindingDB Entry DOI: 10.7270/Q2XK8FWX
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50349319
PNG
(CHEMBL1807656)
Show SMILES COc1ccc(\C=C\C(=O)OC(C)Cn2c(C)ncc2[N+]([O-])=O)cc1
Show InChI InChI=1S/C17H19N3O5/c1-12(11-19-13(2)18-10-16(19)20(22)23)25-17(21)9-6-14-4-7-15(24-3)8-5-14/h4-10,12H,11H2,1-3H3/b9-6+
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0.000610n/an/an/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged Escherichia coli FabH expressed in Escherichia coli BL21 (DE3) using [3H]acetyl-coA after 25 mins by liquid scint...


Bioorg Med Chem 19: 4513-9 (2011)


Article DOI: 10.1016/j.bmc.2011.06.021
BindingDB Entry DOI: 10.7270/Q2XK8FWX
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50349533
PNG
(CHEMBL1808858)
Show SMILES Oc1c(Br)cc(Br)cc1CN(C(=O)Nc1ccccc1)c1ccccc1Br
Show InChI InChI=1S/C20H15Br3N2O2/c21-14-10-13(19(26)17(23)11-14)12-25(18-9-5-4-8-16(18)22)20(27)24-15-6-2-1-3-7-15/h1-11,26H,12H2,(H,24,27)
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0.000759n/an/an/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli FabH expressed in Escherichia coli DH10B cells assessed as incorporation of 3H signal in the product after 25 mins by ...


Bioorg Med Chem 19: 4413-20 (2011)


Article DOI: 10.1016/j.bmc.2011.06.049
BindingDB Entry DOI: 10.7270/Q2HD7W18
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50349318
PNG
(CHEMBL1807655)
Show SMILES CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)\C=C\c1ccc(C)cc1
Show InChI InChI=1S/C17H19N3O4/c1-12-4-6-15(7-5-12)8-9-17(21)24-13(2)11-19-14(3)18-10-16(19)20(22)23/h4-10,13H,11H2,1-3H3/b9-8+
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0.000896n/an/an/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged Escherichia coli FabH expressed in Escherichia coli BL21 (DE3) using [3H]acetyl-coA after 25 mins by liquid scint...


Bioorg Med Chem 19: 4513-9 (2011)


Article DOI: 10.1016/j.bmc.2011.06.021
BindingDB Entry DOI: 10.7270/Q2XK8FWX
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50349313
PNG
(CHEMBL1807922)
Show SMILES CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)\C=C\c1ccccc1F
Show InChI InChI=1S/C16H16FN3O4/c1-11(10-19-12(2)18-9-15(19)20(22)23)24-16(21)8-7-13-5-3-4-6-14(13)17/h3-9,11H,10H2,1-2H3/b8-7+
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0.000975n/an/an/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged Escherichia coli FabH expressed in Escherichia coli BL21 (DE3) using [3H]acetyl-coA after 25 mins by liquid scint...


Bioorg Med Chem 19: 4513-9 (2011)


Article DOI: 10.1016/j.bmc.2011.06.021
BindingDB Entry DOI: 10.7270/Q2XK8FWX
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50349312
PNG
(CHEMBL1807921)
Show SMILES CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C16H17N3O4/c1-12(11-18-13(2)17-10-15(18)19(21)22)23-16(20)9-8-14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3/b9-8+
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0.00132n/an/an/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged Escherichia coli FabH expressed in Escherichia coli BL21 (DE3) using [3H]acetyl-coA after 25 mins by liquid scint...


Bioorg Med Chem 19: 4513-9 (2011)


Article DOI: 10.1016/j.bmc.2011.06.021
BindingDB Entry DOI: 10.7270/Q2XK8FWX
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50349315
PNG
(CHEMBL1807925)
Show SMILES COc1ccccc1\C=C\C(=O)OC(C)Cn1c(C)ncc1[N+]([O-])=O
Show InChI InChI=1S/C17H19N3O5/c1-12(11-19-13(2)18-10-16(19)20(22)23)25-17(21)9-8-14-6-4-5-7-15(14)24-3/h4-10,12H,11H2,1-3H3/b9-8+
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0.00179n/an/an/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged Escherichia coli FabH expressed in Escherichia coli BL21 (DE3) using [3H]acetyl-coA after 25 mins by liquid scint...


Bioorg Med Chem 19: 4513-9 (2011)


Article DOI: 10.1016/j.bmc.2011.06.021
BindingDB Entry DOI: 10.7270/Q2XK8FWX
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50349316
PNG
(CHEMBL1807928)
Show SMILES COc1cccc(\C=C\C(=O)OC(C)Cn2c(C)ncc2[N+]([O-])=O)c1
Show InChI InChI=1S/C17H19N3O5/c1-12(11-19-13(2)18-10-16(19)20(22)23)25-17(21)8-7-14-5-4-6-15(9-14)24-3/h4-10,12H,11H2,1-3H3/b8-7+
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0.00273n/an/an/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged Escherichia coli FabH expressed in Escherichia coli BL21 (DE3) using [3H]acetyl-coA after 25 mins by liquid scint...


Bioorg Med Chem 19: 4513-9 (2011)


Article DOI: 10.1016/j.bmc.2011.06.021
BindingDB Entry DOI: 10.7270/Q2XK8FWX
More data for this
Ligand-Target Pair
beta-Ketoacyl-ACP Synthase III (FabH)


(Streptococcus pyogenes)
BDBM23585
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 24i | ...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc(cc1Oc1ccccc1)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C27H21NO6S/c1-35(32,33)21-14-11-18(12-15-21)22-16-13-19(17-25(22)34-20-7-3-2-4-8-20)26(29)28-24-10-6-5-9-23(24)27(30)31/h2-17H,1H3,(H,28,29)(H,30,31)
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n/an/a 3n/an/an/an/a7.022



Quorex Pharmaceuticals Inc.



Assay Description
The potency of FabH inhibition (IC50) was determined using [3H]- or [14C]-radiolabeled substrates. This was accomplished at fixed concentrations of a...


J Med Chem 48: 1596-609 (2005)


Article DOI: 10.1021/jm049141s
BindingDB Entry DOI: 10.7270/Q22B8W9H
More data for this
Ligand-Target Pair
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM50412347
PNG
(CHEMBL499343)
Show SMILES OC(=O)c1ccccc1NC(=O)c1cc(O)c(c(Oc2ccccc2)c1)-c1ccccc1
Show InChI InChI=1S/C26H19NO5/c28-22-15-18(25(29)27-21-14-8-7-13-20(21)26(30)31)16-23(32-19-11-5-2-6-12-19)24(22)17-9-3-1-4-10-17/h1-16,28H,(H,27,29)(H,30,31)
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n/an/a 4n/an/an/an/an/an/a



Shri G.S. Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of Enterococcus faecalis FabH by FabD/FabH coupled assay


Eur J Med Chem 43: 1071-80 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.018
BindingDB Entry DOI: 10.7270/Q2GQ700V
More data for this
Ligand-Target Pair
beta-Ketoacyl-ACP Synthase III (FabH)


(Streptococcus pyogenes)
BDBM23587
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 33 | 2...)
Show SMILES OC(=O)c1c(O)cccc1NC(=O)c1ccc(c(Oc2ccccc2)c1)-c1ccccc1
Show InChI InChI=1S/C26H19NO5/c28-22-13-7-12-21(24(22)26(30)31)27-25(29)18-14-15-20(17-8-3-1-4-9-17)23(16-18)32-19-10-5-2-6-11-19/h1-16,28H,(H,27,29)(H,30,31)
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n/an/a 4n/an/an/an/a7.022



Quorex Pharmaceuticals Inc.



Assay Description
The potency of FabH inhibition (IC50) was determined using [3H]- or [14C]-radiolabeled substrates. This was accomplished at fixed concentrations of a...


J Med Chem 48: 1596-609 (2005)


Article DOI: 10.1021/jm049141s
BindingDB Entry DOI: 10.7270/Q22B8W9H
More data for this
Ligand-Target Pair
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23587
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 33 | 2...)
Show SMILES OC(=O)c1c(O)cccc1NC(=O)c1ccc(c(Oc2ccccc2)c1)-c1ccccc1
Show InChI InChI=1S/C26H19NO5/c28-22-13-7-12-21(24(22)26(30)31)27-25(29)18-14-15-20(17-8-3-1-4-9-17)23(16-18)32-19-10-5-2-6-11-19/h1-16,28H,(H,27,29)(H,30,31)
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n/an/a 4n/an/an/an/a7.022



Quorex Pharmaceuticals Inc.



Assay Description
The potency of FabH inhibition (IC50) was determined using [3H]- or [14C]-radiolabeled substrates. This was accomplished at fixed concentrations of a...


J Med Chem 48: 1596-609 (2005)


Article DOI: 10.1021/jm049141s
BindingDB Entry DOI: 10.7270/Q22B8W9H
More data for this
Ligand-Target Pair
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23585
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 24i | ...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc(cc1Oc1ccccc1)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C27H21NO6S/c1-35(32,33)21-14-11-18(12-15-21)22-16-13-19(17-25(22)34-20-7-3-2-4-8-20)26(29)28-24-10-6-5-9-23(24)27(30)31/h2-17H,1H3,(H,28,29)(H,30,31)
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n/an/a 28n/an/an/an/a7.022



Quorex Pharmaceuticals Inc.



Assay Description
The potency of FabH inhibition (IC50) was determined using [3H]- or [14C]-radiolabeled substrates. This was accomplished at fixed concentrations of a...


J Med Chem 48: 1596-609 (2005)


Article DOI: 10.1021/jm049141s
BindingDB Entry DOI: 10.7270/Q22B8W9H
More data for this
Ligand-Target Pair
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23585
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 24i | ...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc(cc1Oc1ccccc1)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C27H21NO6S/c1-35(32,33)21-14-11-18(12-15-21)22-16-13-19(17-25(22)34-20-7-3-2-4-8-20)26(29)28-24-10-6-5-9-23(24)27(30)31/h2-17H,1H3,(H,28,29)(H,30,31)
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n/an/a 28.1n/an/an/an/an/an/a



Shri G.S. Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of Enterococcus faecalis FabH by FabD/FabH coupled assay


Eur J Med Chem 43: 1071-80 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.018
BindingDB Entry DOI: 10.7270/Q2GQ700V
More data for this
Ligand-Target Pair
beta-Ketoacyl-ACP Synthase III (FabH)


(Streptococcus pyogenes)
BDBM23586
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 31 | 2...)
Show SMILES OC(=O)c1c(O)cccc1NC(=O)c1ccc(Br)c(Oc2ccccc2)c1
Show InChI InChI=1S/C20H14BrNO5/c21-14-10-9-12(11-17(14)27-13-5-2-1-3-6-13)19(24)22-15-7-4-8-16(23)18(15)20(25)26/h1-11,23H,(H,22,24)(H,25,26)
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n/an/a 34n/an/an/an/a7.022



Quorex Pharmaceuticals Inc.



Assay Description
The potency of FabH inhibition (IC50) was determined using [3H]- or [14C]-radiolabeled substrates. This was accomplished at fixed concentrations of a...


J Med Chem 48: 1596-609 (2005)


Article DOI: 10.1021/jm049141s
BindingDB Entry DOI: 10.7270/Q22B8W9H
More data for this
Ligand-Target Pair
beta-Ketoacyl-ACP Synthase III (FabH)


(Streptococcus pyogenes)
BDBM23584
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 24c | ...)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc(c(Oc2ccccc2)c1)-c1ccccc1
Show InChI InChI=1S/C26H19NO4/c28-25(27-23-14-8-7-13-22(23)26(29)30)19-15-16-21(18-9-3-1-4-10-18)24(17-19)31-20-11-5-2-6-12-20/h1-17H,(H,27,28)(H,29,30)
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n/an/a 50n/an/an/an/a7.022



Quorex Pharmaceuticals Inc.



Assay Description
The potency of FabH inhibition (IC50) was determined using [3H]- or [14C]-radiolabeled substrates. This was accomplished at fixed concentrations of a...


J Med Chem 48: 1596-609 (2005)


Article DOI: 10.1021/jm049141s
BindingDB Entry DOI: 10.7270/Q22B8W9H
More data for this
Ligand-Target Pair
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23584
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 24c | ...)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc(c(Oc2ccccc2)c1)-c1ccccc1
Show InChI InChI=1S/C26H19NO4/c28-25(27-23-14-8-7-13-22(23)26(29)30)19-15-16-21(18-9-3-1-4-10-18)24(17-19)31-20-11-5-2-6-12-20/h1-17H,(H,27,28)(H,29,30)
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n/an/a 56.0n/an/an/an/an/an/a



Shri G.S. Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of Enterococcus faecalis FabH by FabD/FabH coupled assay


Eur J Med Chem 43: 1071-80 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.018
BindingDB Entry DOI: 10.7270/Q2GQ700V
More data for this
Ligand-Target Pair
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23584
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 24c | ...)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc(c(Oc2ccccc2)c1)-c1ccccc1
Show InChI InChI=1S/C26H19NO4/c28-25(27-23-14-8-7-13-22(23)26(29)30)19-15-16-21(18-9-3-1-4-10-18)24(17-19)31-20-11-5-2-6-12-20/h1-17H,(H,27,28)(H,29,30)
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n/an/a 56n/an/an/an/a7.022



Quorex Pharmaceuticals Inc.



Assay Description
The potency of FabH inhibition (IC50) was determined using [3H]- or [14C]-radiolabeled substrates. This was accomplished at fixed concentrations of a...


J Med Chem 48: 1596-609 (2005)


Article DOI: 10.1021/jm049141s
BindingDB Entry DOI: 10.7270/Q22B8W9H
More data for this
Ligand-Target Pair
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23586
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 31 | 2...)
Show SMILES OC(=O)c1c(O)cccc1NC(=O)c1ccc(Br)c(Oc2ccccc2)c1
Show InChI InChI=1S/C20H14BrNO5/c21-14-10-9-12(11-17(14)27-13-5-2-1-3-6-13)19(24)22-15-7-4-8-16(23)18(15)20(25)26/h1-11,23H,(H,22,24)(H,25,26)
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n/an/a 62n/an/an/an/a7.022



Quorex Pharmaceuticals Inc.



Assay Description
The potency of FabH inhibition (IC50) was determined using [3H]- or [14C]-radiolabeled substrates. This was accomplished at fixed concentrations of a...


J Med Chem 48: 1596-609 (2005)


Article DOI: 10.1021/jm049141s
BindingDB Entry DOI: 10.7270/Q22B8W9H
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM50412351
PNG
(CHEMBL499342)
Show SMILES OC(=O)c1ccccc1NC(=O)c1cc(O)c(Br)c(Oc2ccccc2)c1
Show InChI InChI=1S/C20H14BrNO5/c21-18-16(23)10-12(11-17(18)27-13-6-2-1-3-7-13)19(24)22-15-9-5-4-8-14(15)20(25)26/h1-11,23H,(H,22,24)(H,25,26)
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n/an/a 62.1n/an/an/an/an/an/a



Shri G.S. Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of Enterococcus faecalis FabH by FabD/FabH coupled assay


Eur J Med Chem 43: 1071-80 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.018
BindingDB Entry DOI: 10.7270/Q2GQ700V
More data for this
Ligand-Target Pair
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23595
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 24d | ...)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc(c(Oc2ccccc2)c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C27H18F3NO4/c28-27(29,30)19-13-10-17(11-14-19)21-15-12-18(16-24(21)35-20-6-2-1-3-7-20)25(32)31-23-9-5-4-8-22(23)26(33)34/h1-16H,(H,31,32)(H,33,34)
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n/an/a 95.9n/an/an/an/an/an/a



Shri G.S. Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of Enterococcus faecalis FabH by FabD/FabH coupled assay


Eur J Med Chem 43: 1071-80 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.018
BindingDB Entry DOI: 10.7270/Q2GQ700V
More data for this
Ligand-Target Pair
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23595
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 24d | ...)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc(c(Oc2ccccc2)c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C27H18F3NO4/c28-27(29,30)19-13-10-17(11-14-19)21-15-12-18(16-24(21)35-20-6-2-1-3-7-20)25(32)31-23-9-5-4-8-22(23)26(33)34/h1-16H,(H,31,32)(H,33,34)
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n/an/a 96n/an/an/an/an/an/a



Quorex Pharmaceuticals Inc.



Assay Description
The potency of FabH inhibition (IC50) was determined using [3H]- or [14C]-radiolabeled substrates. This was accomplished at fixed concentrations of a...


J Med Chem 48: 1596-609 (2005)


Article DOI: 10.1021/jm049141s
BindingDB Entry DOI: 10.7270/Q22B8W9H
More data for this
Ligand-Target Pair
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