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Compile Data Set for Download or QSAR

Found 44 hits Enz. Inhib. hit(s) with all data for entry = 50004299   
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
3-oxoacyl-[acyl-carrier-protein] synthase 3


(Escherichia coli)
BDBM50481264
PNG
(CHEMBL595491)
Show SMILES Oc1ccc(Br)cc1\C=N\CCCNC(=O)c1ccccc1O
Show InChI InChI=1S/C17H17BrN2O3/c18-13-6-7-15(21)12(10-13)11-19-8-3-9-20-17(23)14-4-1-2-5-16(14)22/h1-2,4-7,10-11,21-22H,3,8-9H2,(H,20,23)/b19-11+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 874n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli Beta-ketoacyl-ACP synthase III expressed in Escherichia coli BL21 (DE3) by liquid scintillation counting


Bioorg Med Chem 17: 7861-71 (2009)


Article DOI: 10.1016/j.bmc.2009.10.037
BindingDB Entry DOI: 10.7270/Q2TT4TRN
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3


(Escherichia coli)
BDBM50481254
PNG
(CHEMBL593880)
Show SMILES Oc1ccccc1C(=O)NCC\N=C\c1cc(Br)cc(Br)c1O
Show InChI InChI=1S/C16H14Br2N2O3/c17-11-7-10(15(22)13(18)8-11)9-19-5-6-20-16(23)12-3-1-2-4-14(12)21/h1-4,7-9,21-22H,5-6H2,(H,20,23)/b19-9+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.22E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli Beta-ketoacyl-ACP synthase III expressed in Escherichia coli BL21 (DE3) by liquid scintillation counting


Bioorg Med Chem 17: 7861-71 (2009)


Article DOI: 10.1016/j.bmc.2009.10.037
BindingDB Entry DOI: 10.7270/Q2TT4TRN
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3


(Escherichia coli)
BDBM50481255
PNG
(CHEMBL611011)
Show SMILES Oc1ccc(I)cc1\C=N\CCCCNC(=O)c1ccccc1O
Show InChI InChI=1S/C18H19IN2O3/c19-14-7-8-16(22)13(11-14)12-20-9-3-4-10-21-18(24)15-5-1-2-6-17(15)23/h1-2,5-8,11-12,22-23H,3-4,9-10H2,(H,21,24)/b20-12+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.48E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli Beta-ketoacyl-ACP synthase III expressed in Escherichia coli BL21 (DE3) by liquid scintillation counting


Bioorg Med Chem 17: 7861-71 (2009)


Article DOI: 10.1016/j.bmc.2009.10.037
BindingDB Entry DOI: 10.7270/Q2TT4TRN
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3


(Escherichia coli)
BDBM50481265
PNG
(CHEMBL592923)
Show SMILES Oc1ccc(I)cc1\C=N\CCNC(=O)c1ccccc1O
Show InChI InChI=1S/C16H15IN2O3/c17-12-5-6-14(20)11(9-12)10-18-7-8-19-16(22)13-3-1-2-4-15(13)21/h1-6,9-10,20-21H,7-8H2,(H,19,22)/b18-10+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.68E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli Beta-ketoacyl-ACP synthase III expressed in Escherichia coli BL21 (DE3) by liquid scintillation counting


Bioorg Med Chem 17: 7861-71 (2009)


Article DOI: 10.1016/j.bmc.2009.10.037
BindingDB Entry DOI: 10.7270/Q2TT4TRN
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3


(Escherichia coli)
BDBM50481262
PNG
(CHEMBL595041)
Show SMILES Oc1ccc(I)cc1\C=N\CCCNC(=O)c1ccccc1O
Show InChI InChI=1S/C17H17IN2O3/c18-13-6-7-15(21)12(10-13)11-19-8-3-9-20-17(23)14-4-1-2-5-16(14)22/h1-2,4-7,10-11,21-22H,3,8-9H2,(H,20,23)/b19-11+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.53E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli Beta-ketoacyl-ACP synthase III expressed in Escherichia coli BL21 (DE3) by liquid scintillation counting


Bioorg Med Chem 17: 7861-71 (2009)


Article DOI: 10.1016/j.bmc.2009.10.037
BindingDB Entry DOI: 10.7270/Q2TT4TRN
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3


(Escherichia coli)
BDBM50481256
PNG
(CHEMBL610486)
Show SMILES Oc1ccc(Cl)cc1\C=N\CCCNC(=O)c1ccccc1O
Show InChI InChI=1S/C17H17ClN2O3/c18-13-6-7-15(21)12(10-13)11-19-8-3-9-20-17(23)14-4-1-2-5-16(14)22/h1-2,4-7,10-11,21-22H,3,8-9H2,(H,20,23)/b19-11+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.80E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli Beta-ketoacyl-ACP synthase III expressed in Escherichia coli BL21 (DE3) by liquid scintillation counting


Bioorg Med Chem 17: 7861-71 (2009)


Article DOI: 10.1016/j.bmc.2009.10.037
BindingDB Entry DOI: 10.7270/Q2TT4TRN
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3


(Escherichia coli)
BDBM50481257
PNG
(CHEMBL594579)
Show SMILES Oc1ccc(F)cc1\C=N\CCCNC(=O)c1ccccc1O
Show InChI InChI=1S/C17H17FN2O3/c18-13-6-7-15(21)12(10-13)11-19-8-3-9-20-17(23)14-4-1-2-5-16(14)22/h1-2,4-7,10-11,21-22H,3,8-9H2,(H,20,23)/b19-11+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.69E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli Beta-ketoacyl-ACP synthase III expressed in Escherichia coli BL21 (DE3) by liquid scintillation counting


Bioorg Med Chem 17: 7861-71 (2009)


Article DOI: 10.1016/j.bmc.2009.10.037
BindingDB Entry DOI: 10.7270/Q2TT4TRN
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3


(Escherichia coli)
BDBM50481276
PNG
(CHEMBL596191)
Show SMILES Oc1ccccc1C(=O)NCCCC\N=C\c1cc(Br)cc(Br)c1O
Show InChI InChI=1S/C18H18Br2N2O3/c19-13-9-12(17(24)15(20)10-13)11-21-7-3-4-8-22-18(25)14-5-1-2-6-16(14)23/h1-2,5-6,9-11,23-24H,3-4,7-8H2,(H,22,25)/b21-11+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.59E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli Beta-ketoacyl-ACP synthase III expressed in Escherichia coli BL21 (DE3) by liquid scintillation counting


Bioorg Med Chem 17: 7861-71 (2009)


Article DOI: 10.1016/j.bmc.2009.10.037
BindingDB Entry DOI: 10.7270/Q2TT4TRN
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3


(Escherichia coli)
BDBM50481266
PNG
(CHEMBL609272)
Show SMILES Oc1ccc(Cl)cc1\C=N\CCCCNC(=O)c1ccccc1O
Show InChI InChI=1S/C18H19ClN2O3/c19-14-7-8-16(22)13(11-14)12-20-9-3-4-10-21-18(24)15-5-1-2-6-17(15)23/h1-2,5-8,11-12,22-23H,3-4,9-10H2,(H,21,24)/b20-12+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.63E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli Beta-ketoacyl-ACP synthase III expressed in Escherichia coli BL21 (DE3) by liquid scintillation counting


Bioorg Med Chem 17: 7861-71 (2009)


Article DOI: 10.1016/j.bmc.2009.10.037
BindingDB Entry DOI: 10.7270/Q2TT4TRN
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3


(Escherichia coli)
BDBM50481258
PNG
(CHEMBL592924)
Show SMILES Oc1ccccc1C(=O)NCC\N=C\c1cc(Cl)cc(Cl)c1O
Show InChI InChI=1S/C16H14Cl2N2O3/c17-11-7-10(15(22)13(18)8-11)9-19-5-6-20-16(23)12-3-1-2-4-14(12)21/h1-4,7-9,21-22H,5-6H2,(H,20,23)/b19-9+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.07E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli Beta-ketoacyl-ACP synthase III expressed in Escherichia coli BL21 (DE3) by liquid scintillation counting


Bioorg Med Chem 17: 7861-71 (2009)


Article DOI: 10.1016/j.bmc.2009.10.037
BindingDB Entry DOI: 10.7270/Q2TT4TRN
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3


(Escherichia coli)
BDBM50481278
PNG
(CHEMBL594149)
Show SMILES Oc1ccccc1C(=O)NCCC\N=C\c1cc(Cl)cc(Cl)c1O
Show InChI InChI=1S/C17H16Cl2N2O3/c18-12-8-11(16(23)14(19)9-12)10-20-6-3-7-21-17(24)13-4-1-2-5-15(13)22/h1-2,4-5,8-10,22-23H,3,6-7H2,(H,21,24)/b20-10+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.62E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli Beta-ketoacyl-ACP synthase III expressed in Escherichia coli BL21 (DE3) by liquid scintillation counting


Bioorg Med Chem 17: 7861-71 (2009)


Article DOI: 10.1016/j.bmc.2009.10.037
BindingDB Entry DOI: 10.7270/Q2TT4TRN
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3


(Escherichia coli)
BDBM50481267
PNG
(CHEMBL596190)
Show SMILES Oc1ccccc1C(=O)NCCCC\N=C\c1cc(Cl)cc(Cl)c1O
Show InChI InChI=1S/C18H18Cl2N2O3/c19-13-9-12(17(24)15(20)10-13)11-21-7-3-4-8-22-18(25)14-5-1-2-6-16(14)23/h1-2,5-6,9-11,23-24H,3-4,7-8H2,(H,22,25)/b21-11+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.86E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli Beta-ketoacyl-ACP synthase III expressed in Escherichia coli BL21 (DE3) by liquid scintillation counting


Bioorg Med Chem 17: 7861-71 (2009)


Article DOI: 10.1016/j.bmc.2009.10.037
BindingDB Entry DOI: 10.7270/Q2TT4TRN
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3


(Escherichia coli)
BDBM50481268
PNG
(CHEMBL596423)
Show SMILES Oc1ccccc1C(=O)NCCCC\N=C\c1c(O)ccc2ccccc12
Show InChI InChI=1S/C22H22N2O3/c25-20-10-4-3-9-18(20)22(27)24-14-6-5-13-23-15-19-17-8-2-1-7-16(17)11-12-21(19)26/h1-4,7-12,15,25-26H,5-6,13-14H2,(H,24,27)/b23-15+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.55E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli Beta-ketoacyl-ACP synthase III expressed in Escherichia coli BL21 (DE3) by liquid scintillation counting


Bioorg Med Chem 17: 7861-71 (2009)


Article DOI: 10.1016/j.bmc.2009.10.037
BindingDB Entry DOI: 10.7270/Q2TT4TRN
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3


(Escherichia coli)
BDBM50481237
PNG
(CHEMBL594093)
Show SMILES Oc1ccccc1C(=O)NCCC\N=C\c1c(O)ccc2ccccc12
Show InChI InChI=1S/C21H20N2O3/c24-19-9-4-3-8-17(19)21(26)23-13-5-12-22-14-18-16-7-2-1-6-15(16)10-11-20(18)25/h1-4,6-11,14,24-25H,5,12-13H2,(H,23,26)/b22-14+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.61E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli Beta-ketoacyl-ACP synthase III expressed in Escherichia coli BL21 (DE3) by liquid scintillation counting


Bioorg Med Chem 17: 7861-71 (2009)


Article DOI: 10.1016/j.bmc.2009.10.037
BindingDB Entry DOI: 10.7270/Q2TT4TRN
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3


(Escherichia coli)
BDBM50481259
PNG
(CHEMBL593441)
Show SMILES Oc1ccc(Cl)cc1\C=N\CCNC(=O)c1ccccc1O
Show InChI InChI=1S/C16H15ClN2O3/c17-12-5-6-14(20)11(9-12)10-18-7-8-19-16(22)13-3-1-2-4-15(13)21/h1-6,9-10,20-21H,7-8H2,(H,19,22)/b18-10+
PDB
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UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.78E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli Beta-ketoacyl-ACP synthase III expressed in Escherichia coli BL21 (DE3) by liquid scintillation counting


Bioorg Med Chem 17: 7861-71 (2009)


Article DOI: 10.1016/j.bmc.2009.10.037
BindingDB Entry DOI: 10.7270/Q2TT4TRN
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3


(Escherichia coli)
BDBM50481239
PNG
(CHEMBL596422)
Show SMILES Oc1ccccc1C(=O)NCCCC\N=C\c1cc(I)cc(I)c1O
Show InChI InChI=1S/C18H18I2N2O3/c19-13-9-12(17(24)15(20)10-13)11-21-7-3-4-8-22-18(25)14-5-1-2-6-16(14)23/h1-2,5-6,9-11,23-24H,3-4,7-8H2,(H,22,25)/b21-11+
PDB
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UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.11E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli Beta-ketoacyl-ACP synthase III expressed in Escherichia coli BL21 (DE3) by liquid scintillation counting


Bioorg Med Chem 17: 7861-71 (2009)


Article DOI: 10.1016/j.bmc.2009.10.037
BindingDB Entry DOI: 10.7270/Q2TT4TRN
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3


(Escherichia coli)
BDBM50481240
PNG
(CHEMBL594110)
Show SMILES Oc1ccccc1C(=O)NCCCCCC\N=C\c1cc(Br)cc(Br)c1O
Show InChI InChI=1S/C20H22Br2N2O3/c21-15-11-14(19(26)17(22)12-15)13-23-9-5-1-2-6-10-24-20(27)16-7-3-4-8-18(16)25/h3-4,7-8,11-13,25-26H,1-2,5-6,9-10H2,(H,24,27)/b23-13+
PDB
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PubMed
n/an/a 1.26E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli Beta-ketoacyl-ACP synthase III expressed in Escherichia coli BL21 (DE3) by liquid scintillation counting


Bioorg Med Chem 17: 7861-71 (2009)


Article DOI: 10.1016/j.bmc.2009.10.037
BindingDB Entry DOI: 10.7270/Q2TT4TRN
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3


(Escherichia coli)
BDBM50481263
PNG
(CHEMBL594150)
Show SMILES Oc1ccccc1C(=O)NCCC\N=C\c1cc(Br)cc(Br)c1O
Show InChI InChI=1S/C17H16Br2N2O3/c18-12-8-11(16(23)14(19)9-12)10-20-6-3-7-21-17(24)13-4-1-2-5-15(13)22/h1-2,4-5,8-10,22-23H,3,6-7H2,(H,21,24)/b20-10+
PDB
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UniProtKB/TrEMBL

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GoogleScholar
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UniChem
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PubMed
n/an/a 1.38E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli Beta-ketoacyl-ACP synthase III expressed in Escherichia coli BL21 (DE3) by liquid scintillation counting


Bioorg Med Chem 17: 7861-71 (2009)


Article DOI: 10.1016/j.bmc.2009.10.037
BindingDB Entry DOI: 10.7270/Q2TT4TRN
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3


(Escherichia coli)
BDBM50481269
PNG
(CHEMBL592925)
Show SMILES Oc1ccc(Br)cc1\C=N\CCCCNC(=O)c1ccccc1O
Show InChI InChI=1S/C18H19BrN2O3/c19-14-7-8-16(22)13(11-14)12-20-9-3-4-10-21-18(24)15-5-1-2-6-17(15)23/h1-2,5-8,11-12,22-23H,3-4,9-10H2,(H,21,24)/b20-12+
PDB
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UniProtKB/TrEMBL

B.MOAD
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.61E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli Beta-ketoacyl-ACP synthase III expressed in Escherichia coli BL21 (DE3) by liquid scintillation counting


Bioorg Med Chem 17: 7861-71 (2009)


Article DOI: 10.1016/j.bmc.2009.10.037
BindingDB Entry DOI: 10.7270/Q2TT4TRN
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3


(Escherichia coli)
BDBM50481238
PNG
(CHEMBL593385)
Show SMILES Oc1ccc(Br)cc1\C=N\CCNC(=O)c1ccccc1O
Show InChI InChI=1S/C16H15BrN2O3/c17-12-5-6-14(20)11(9-12)10-18-7-8-19-16(22)13-3-1-2-4-15(13)21/h1-6,9-10,20-21H,7-8H2,(H,19,22)/b18-10+
PDB
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PC cid
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UniChem
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PubMed
n/an/a 1.70E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli Beta-ketoacyl-ACP synthase III expressed in Escherichia coli BL21 (DE3) by liquid scintillation counting


Bioorg Med Chem 17: 7861-71 (2009)


Article DOI: 10.1016/j.bmc.2009.10.037
BindingDB Entry DOI: 10.7270/Q2TT4TRN
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3


(Escherichia coli)
BDBM50481241
PNG
(CHEMBL593386)
Show SMILES Oc1ccc(F)cc1\C=N\CCCCNC(=O)c1ccccc1O
Show InChI InChI=1S/C18H19FN2O3/c19-14-7-8-16(22)13(11-14)12-20-9-3-4-10-21-18(24)15-5-1-2-6-17(15)23/h1-2,5-8,11-12,22-23H,3-4,9-10H2,(H,21,24)/b20-12+
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n/an/a 1.93E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli Beta-ketoacyl-ACP synthase III expressed in Escherichia coli BL21 (DE3) by liquid scintillation counting


Bioorg Med Chem 17: 7861-71 (2009)


Article DOI: 10.1016/j.bmc.2009.10.037
BindingDB Entry DOI: 10.7270/Q2TT4TRN
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3


(Escherichia coli)
BDBM50481245
PNG
(CHEMBL594814)
Show SMILES Oc1ccccc1C(=O)NCCC\N=C\c1cc(I)cc(I)c1O
Show InChI InChI=1S/C17H16I2N2O3/c18-12-8-11(16(23)14(19)9-12)10-20-6-3-7-21-17(24)13-4-1-2-5-15(13)22/h1-2,4-5,8-10,22-23H,3,6-7H2,(H,21,24)/b20-10+
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n/an/a 2.36E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli Beta-ketoacyl-ACP synthase III expressed in Escherichia coli BL21 (DE3) by liquid scintillation counting


Bioorg Med Chem 17: 7861-71 (2009)


Article DOI: 10.1016/j.bmc.2009.10.037
BindingDB Entry DOI: 10.7270/Q2TT4TRN
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3


(Escherichia coli)
BDBM50481260
PNG
(CHEMBL593881)
Show SMILES Oc1ccccc1C(=O)NCC\N=C\c1cc(I)cc(I)c1O
Show InChI InChI=1S/C16H14I2N2O3/c17-11-7-10(15(22)13(18)8-11)9-19-5-6-20-16(23)12-3-1-2-4-14(12)21/h1-4,7-9,21-22H,5-6H2,(H,20,23)/b19-9+
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n/an/a 2.42E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli Beta-ketoacyl-ACP synthase III expressed in Escherichia coli BL21 (DE3) by liquid scintillation counting


Bioorg Med Chem 17: 7861-71 (2009)


Article DOI: 10.1016/j.bmc.2009.10.037
BindingDB Entry DOI: 10.7270/Q2TT4TRN
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3


(Escherichia coli)
BDBM50481248
PNG
(CHEMBL594111)
Show SMILES Oc1ccccc1C(=O)NCCCCCC\N=C\c1cc(I)cc(I)c1O
Show InChI InChI=1S/C20H22I2N2O3/c21-15-11-14(19(26)17(22)12-15)13-23-9-5-1-2-6-10-24-20(27)16-7-3-4-8-18(16)25/h3-4,7-8,11-13,25-26H,1-2,5-6,9-10H2,(H,24,27)/b23-13+
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n/an/a 2.53E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli Beta-ketoacyl-ACP synthase III expressed in Escherichia coli BL21 (DE3) by liquid scintillation counting


Bioorg Med Chem 17: 7861-71 (2009)


Article DOI: 10.1016/j.bmc.2009.10.037
BindingDB Entry DOI: 10.7270/Q2TT4TRN
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3


(Escherichia coli)
BDBM50481242
PNG
(CHEMBL594319)
Show SMILES Oc1ccccc1\C=N\CCNC(=O)c1ccccc1O
Show InChI InChI=1S/C16H16N2O3/c19-14-7-3-1-5-12(14)11-17-9-10-18-16(21)13-6-2-4-8-15(13)20/h1-8,11,19-20H,9-10H2,(H,18,21)/b17-11+
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n/an/a 2.56E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli Beta-ketoacyl-ACP synthase III expressed in Escherichia coli BL21 (DE3) by liquid scintillation counting


Bioorg Med Chem 17: 7861-71 (2009)


Article DOI: 10.1016/j.bmc.2009.10.037
BindingDB Entry DOI: 10.7270/Q2TT4TRN
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3


(Escherichia coli)
BDBM50481243
PNG
(CHEMBL610172)
Show SMILES Oc1ccc(Cl)cc1\C=N\CCCCCCNC(=O)c1ccccc1O
Show InChI InChI=1S/C20H23ClN2O3/c21-16-9-10-18(24)15(13-16)14-22-11-5-1-2-6-12-23-20(26)17-7-3-4-8-19(17)25/h3-4,7-10,13-14,24-25H,1-2,5-6,11-12H2,(H,23,26)/b22-14+
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n/an/a 2.66E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli Beta-ketoacyl-ACP synthase III expressed in Escherichia coli BL21 (DE3) by liquid scintillation counting


Bioorg Med Chem 17: 7861-71 (2009)


Article DOI: 10.1016/j.bmc.2009.10.037
BindingDB Entry DOI: 10.7270/Q2TT4TRN
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3


(Escherichia coli)
BDBM50481270
PNG
(CHEMBL594782)
Show SMILES Oc1ccccc1C(=O)NCC\N=C\c1c(O)ccc2ccccc12
Show InChI InChI=1S/C20H18N2O3/c23-18-8-4-3-7-16(18)20(25)22-12-11-21-13-17-15-6-2-1-5-14(15)9-10-19(17)24/h1-10,13,23-24H,11-12H2,(H,22,25)/b21-13+
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n/an/a 2.93E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli Beta-ketoacyl-ACP synthase III expressed in Escherichia coli BL21 (DE3) by liquid scintillation counting


Bioorg Med Chem 17: 7861-71 (2009)


Article DOI: 10.1016/j.bmc.2009.10.037
BindingDB Entry DOI: 10.7270/Q2TT4TRN
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3


(Escherichia coli)
BDBM50481272
PNG
(CHEMBL593882)
Show SMILES Oc1ccc(Br)cc1\C=N\CCCCCCNC(=O)c1ccccc1O
Show InChI InChI=1S/C20H23BrN2O3/c21-16-9-10-18(24)15(13-16)14-22-11-5-1-2-6-12-23-20(26)17-7-3-4-8-19(17)25/h3-4,7-10,13-14,24-25H,1-2,5-6,11-12H2,(H,23,26)/b22-14+
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n/an/a 3.10E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli Beta-ketoacyl-ACP synthase III expressed in Escherichia coli BL21 (DE3) by liquid scintillation counting


Bioorg Med Chem 17: 7861-71 (2009)


Article DOI: 10.1016/j.bmc.2009.10.037
BindingDB Entry DOI: 10.7270/Q2TT4TRN
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3


(Escherichia coli)
BDBM50481277
PNG
(CHEMBL595276)
Show SMILES Oc1ccc(F)cc1\C=N\CCNC(=O)c1ccccc1O
Show InChI InChI=1S/C16H15FN2O3/c17-12-5-6-14(20)11(9-12)10-18-7-8-19-16(22)13-3-1-2-4-15(13)21/h1-6,9-10,20-21H,7-8H2,(H,19,22)/b18-10+
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n/an/a 3.30E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli Beta-ketoacyl-ACP synthase III expressed in Escherichia coli BL21 (DE3) by liquid scintillation counting


Bioorg Med Chem 17: 7861-71 (2009)


Article DOI: 10.1016/j.bmc.2009.10.037
BindingDB Entry DOI: 10.7270/Q2TT4TRN
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3


(Escherichia coli)
BDBM50481244
PNG
(CHEMBL593617)
Show SMILES Oc1ccccc1C(=O)NCCCCNC(=O)c1ccccc1O
Show InChI InChI=1S/C18H20N2O4/c21-15-9-3-1-7-13(15)17(23)19-11-5-6-12-20-18(24)14-8-2-4-10-16(14)22/h1-4,7-10,21-22H,5-6,11-12H2,(H,19,23)(H,20,24)
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n/an/a 3.95E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli Beta-ketoacyl-ACP synthase III expressed in Escherichia coli BL21 (DE3) by liquid scintillation counting


Bioorg Med Chem 17: 7861-71 (2009)


Article DOI: 10.1016/j.bmc.2009.10.037
BindingDB Entry DOI: 10.7270/Q2TT4TRN
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3


(Escherichia coli)
BDBM50056894
PNG
(2-hydroxy-N-{3-[(2-hydroxybenzoyl)amino]propyl}ben...)
Show SMILES Oc1ccccc1C(=O)NCCCNC(=O)c1ccccc1O
Show InChI InChI=1S/C17H18N2O4/c20-14-8-3-1-6-12(14)16(22)18-10-5-11-19-17(23)13-7-2-4-9-15(13)21/h1-4,6-9,20-21H,5,10-11H2,(H,18,22)(H,19,23)
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Article
PubMed
n/an/a 4.13E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli Beta-ketoacyl-ACP synthase III expressed in Escherichia coli BL21 (DE3) by liquid scintillation counting


Bioorg Med Chem 17: 7861-71 (2009)


Article DOI: 10.1016/j.bmc.2009.10.037
BindingDB Entry DOI: 10.7270/Q2TT4TRN
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3


(Escherichia coli)
BDBM50481275
PNG
(CHEMBL593165 | N,N''-Disalicylidenetrimethylenedia...)
Show SMILES Oc1ccccc1\C=N\CCC\N=C\c1ccccc1O
Show InChI InChI=1S/C17H18N2O2/c20-16-8-3-1-6-14(16)12-18-10-5-11-19-13-15-7-2-4-9-17(15)21/h1-4,6-9,12-13,20-21H,5,10-11H2/b18-12+,19-13+
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n/an/a 4.25E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli Beta-ketoacyl-ACP synthase III expressed in Escherichia coli BL21 (DE3) by liquid scintillation counting


Bioorg Med Chem 17: 7861-71 (2009)


Article DOI: 10.1016/j.bmc.2009.10.037
BindingDB Entry DOI: 10.7270/Q2TT4TRN
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3


(Escherichia coli)
BDBM50481247
PNG
(CHEMBL1163022)
Show SMILES Oc1ccccc1\C=N\CCCCCC\N=C\c1ccccc1O
Show InChI InChI=1S/C20H24N2O2/c23-19-11-5-3-9-17(19)15-21-13-7-1-2-8-14-22-16-18-10-4-6-12-20(18)24/h3-6,9-12,15-16,23-24H,1-2,7-8,13-14H2/b21-15+,22-16+
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n/an/a 4.31E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli Beta-ketoacyl-ACP synthase III expressed in Escherichia coli BL21 (DE3) by liquid scintillation counting


Bioorg Med Chem 17: 7861-71 (2009)


Article DOI: 10.1016/j.bmc.2009.10.037
BindingDB Entry DOI: 10.7270/Q2TT4TRN
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3


(Escherichia coli)
BDBM50481271
PNG
(CHEMBL594101)
Show SMILES Oc1ccccc1\C=N\CCCNC(=O)c1ccccc1O
Show InChI InChI=1S/C17H18N2O3/c20-15-8-3-1-6-13(15)12-18-10-5-11-19-17(22)14-7-2-4-9-16(14)21/h1-4,6-9,12,20-21H,5,10-11H2,(H,19,22)/b18-12+
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n/an/a 4.35E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli Beta-ketoacyl-ACP synthase III expressed in Escherichia coli BL21 (DE3) by liquid scintillation counting


Bioorg Med Chem 17: 7861-71 (2009)


Article DOI: 10.1016/j.bmc.2009.10.037
BindingDB Entry DOI: 10.7270/Q2TT4TRN
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3


(Escherichia coli)
BDBM50481246
PNG
(CHEMBL593618 | N,N''-Disalicylidenetetramethylened...)
Show SMILES Oc1ccccc1\C=N\CCCC\N=C\c1ccccc1O
Show InChI InChI=1S/C18H20N2O2/c21-17-9-3-1-7-15(17)13-19-11-5-6-12-20-14-16-8-2-4-10-18(16)22/h1-4,7-10,13-14,21-22H,5-6,11-12H2/b19-13+,20-14+
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n/an/a 4.38E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli Beta-ketoacyl-ACP synthase III expressed in Escherichia coli BL21 (DE3) by liquid scintillation counting


Bioorg Med Chem 17: 7861-71 (2009)


Article DOI: 10.1016/j.bmc.2009.10.037
BindingDB Entry DOI: 10.7270/Q2TT4TRN
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3


(Escherichia coli)
BDBM50481279
PNG
(CHEMBL595277)
Show SMILES Oc1ccccc1\C=N\CCCCNC(=O)c1ccccc1O
Show InChI InChI=1S/C18H20N2O3/c21-16-9-3-1-7-14(16)13-19-11-5-6-12-20-18(23)15-8-2-4-10-17(15)22/h1-4,7-10,13,21-22H,5-6,11-12H2,(H,20,23)/b19-13+
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n/an/a 4.48E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli Beta-ketoacyl-ACP synthase III expressed in Escherichia coli BL21 (DE3) by liquid scintillation counting


Bioorg Med Chem 17: 7861-71 (2009)


Article DOI: 10.1016/j.bmc.2009.10.037
BindingDB Entry DOI: 10.7270/Q2TT4TRN
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3


(Escherichia coli)
BDBM50481274
PNG
(CHEMBL594783)
Show SMILES Oc1ccccc1C(=O)NCCNC(=O)c1ccccc1O
Show InChI InChI=1S/C16H16N2O4/c19-13-7-3-1-5-11(13)15(21)17-9-10-18-16(22)12-6-2-4-8-14(12)20/h1-8,19-20H,9-10H2,(H,17,21)(H,18,22)
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n/an/a 5.66E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli Beta-ketoacyl-ACP synthase III expressed in Escherichia coli BL21 (DE3) by liquid scintillation counting


Bioorg Med Chem 17: 7861-71 (2009)


Article DOI: 10.1016/j.bmc.2009.10.037
BindingDB Entry DOI: 10.7270/Q2TT4TRN
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3


(Escherichia coli)
BDBM50481250
PNG
(CHEMBL594812)
Show SMILES Oc1ccc(I)cc1\C=N\CCCCCCNC(=O)c1ccccc1O
Show InChI InChI=1S/C20H23IN2O3/c21-16-9-10-18(24)15(13-16)14-22-11-5-1-2-6-12-23-20(26)17-7-3-4-8-19(17)25/h3-4,7-10,13-14,24-25H,1-2,5-6,11-12H2,(H,23,26)/b22-14+
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n/an/a 5.79E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli Beta-ketoacyl-ACP synthase III expressed in Escherichia coli BL21 (DE3) by liquid scintillation counting


Bioorg Med Chem 17: 7861-71 (2009)


Article DOI: 10.1016/j.bmc.2009.10.037
BindingDB Entry DOI: 10.7270/Q2TT4TRN
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3


(Escherichia coli)
BDBM50481249
PNG
(CHEMBL594102)
Show SMILES Oc1ccccc1\C=N\CCCCCCNC(=O)c1ccccc1O
Show InChI InChI=1S/C20H24N2O3/c23-18-11-5-3-9-16(18)15-21-13-7-1-2-8-14-22-20(25)17-10-4-6-12-19(17)24/h3-6,9-12,15,23-24H,1-2,7-8,13-14H2,(H,22,25)/b21-15+
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n/an/a 6.46E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli Beta-ketoacyl-ACP synthase III expressed in Escherichia coli BL21 (DE3) by liquid scintillation counting


Bioorg Med Chem 17: 7861-71 (2009)


Article DOI: 10.1016/j.bmc.2009.10.037
BindingDB Entry DOI: 10.7270/Q2TT4TRN
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3


(Escherichia coli)
BDBM50481261
PNG
(CHEMBL592926)
Show SMILES Oc1ccc(F)cc1\C=N\CCCCCCNC(=O)c1ccccc1O
Show InChI InChI=1S/C20H23FN2O3/c21-16-9-10-18(24)15(13-16)14-22-11-5-1-2-6-12-23-20(26)17-7-3-4-8-19(17)25/h3-4,7-10,13-14,24-25H,1-2,5-6,11-12H2,(H,23,26)/b22-14+
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n/an/a 1.11E+5n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli Beta-ketoacyl-ACP synthase III expressed in Escherichia coli BL21 (DE3) by liquid scintillation counting


Bioorg Med Chem 17: 7861-71 (2009)


Article DOI: 10.1016/j.bmc.2009.10.037
BindingDB Entry DOI: 10.7270/Q2TT4TRN
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3


(Escherichia coli)
BDBM50481251
PNG
(CHEMBL593650)
Show SMILES Oc1ccccc1C(=O)NCCCCCC\N=C\c1cc(Cl)cc(Cl)c1O
Show InChI InChI=1S/C20H22Cl2N2O3/c21-15-11-14(19(26)17(22)12-15)13-23-9-5-1-2-6-10-24-20(27)16-7-3-4-8-18(16)25/h3-4,7-8,11-13,25-26H,1-2,5-6,9-10H2,(H,24,27)/b23-13+
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n/an/a>1.22E+5n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli Beta-ketoacyl-ACP synthase III expressed in Escherichia coli BL21 (DE3) by liquid scintillation counting


Bioorg Med Chem 17: 7861-71 (2009)


Article DOI: 10.1016/j.bmc.2009.10.037
BindingDB Entry DOI: 10.7270/Q2TT4TRN
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3


(Escherichia coli)
BDBM50481273
PNG
(CHEMBL594112)
Show SMILES Oc1ccccc1C(=O)NCCCCCC\N=C\c1c(O)ccc2ccccc12
Show InChI InChI=1S/C24H26N2O3/c27-22-12-6-5-11-20(22)24(29)26-16-8-2-1-7-15-25-17-21-19-10-4-3-9-18(19)13-14-23(21)28/h3-6,9-14,17,27-28H,1-2,7-8,15-16H2,(H,26,29)/b25-17+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.28E+5n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli Beta-ketoacyl-ACP synthase III expressed in Escherichia coli BL21 (DE3) by liquid scintillation counting


Bioorg Med Chem 17: 7861-71 (2009)


Article DOI: 10.1016/j.bmc.2009.10.037
BindingDB Entry DOI: 10.7270/Q2TT4TRN
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3


(Escherichia coli)
BDBM50481252
PNG
(CHEMBL418562)
Show SMILES Oc1ccccc1C(=O)NCCCCCCNC(=O)c1ccccc1O
Show InChI InChI=1S/C20H24N2O4/c23-17-11-5-3-9-15(17)19(25)21-13-7-1-2-8-14-22-20(26)16-10-4-6-12-18(16)24/h3-6,9-12,23-24H,1-2,7-8,13-14H2,(H,21,25)(H,22,26)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.40E+5n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli Beta-ketoacyl-ACP synthase III expressed in Escherichia coli BL21 (DE3) by liquid scintillation counting


Bioorg Med Chem 17: 7861-71 (2009)


Article DOI: 10.1016/j.bmc.2009.10.037
BindingDB Entry DOI: 10.7270/Q2TT4TRN
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3


(Escherichia coli)
BDBM50481253
PNG
(N,N''-Disalicylalethylenediamine | N,N'-DISALICYLA...)
Show SMILES Oc1ccccc1\C=N\CC\N=C\c1ccccc1O
Show InChI InChI=1S/C16H16N2O2/c19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20/h1-8,11-12,19-20H,9-10H2/b17-11+,18-12+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.86E+5n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli Beta-ketoacyl-ACP synthase III expressed in Escherichia coli BL21 (DE3) by liquid scintillation counting


Bioorg Med Chem 17: 7861-71 (2009)


Article DOI: 10.1016/j.bmc.2009.10.037
BindingDB Entry DOI: 10.7270/Q2TT4TRN
More data for this
Ligand-Target Pair