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PubMed code 16335920

Compile data set for download or QSAR
Found 5 hits of Enzyme Inhibition Constant Data   
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
Holo-[acyl-carrier-protein] synthase


(Bacillus subtilis)		BDBM50178647
PNG
(5-chloro-2-{[(9-oxo-9H-fluoren-4-yl)carbonyl]amino...)
Show SMILES OC(=O)c1cc(Cl)ccc1NC(=O)c1cccc2C(=O)c3ccccc3-c12
Show InChI InChI=1S/C21H12ClNO4/c22-11-8-9-17(16(10-11)21(26)27)23-20(25)15-7-3-6-14-18(15)12-4-1-2-5-13(12)19(14)24/h1-10H,(H,23,25)(H,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 820n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Bacillus subtilis AcpS by HTRF assay

J Med Chem 48: 7960-9 (2005)


Article DOI: 10.1021/jm050523n
BindingDB Entry DOI: 10.7270/Q2W66KBJ
More data for this
Ligand-Target Pair
Holo-[acyl-carrier-protein] synthase


(Bacillus subtilis)		BDBM50178649
PNG
(5-chloro-2-[3-(4-chlorophenyl)-2-methylsulfanyl-pr...)
Show SMILES CSC(Cc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1C(O)=O
Show InChI InChI=1S/C17H15Cl2NO3S/c1-24-15(8-10-2-4-11(18)5-3-10)16(21)20-14-7-6-12(19)9-13(14)17(22)23/h2-7,9,15H,8H2,1H3,(H,20,21)(H,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Bacillus subtilis AcpS by HTRF assay

J Med Chem 48: 7960-9 (2005)


Article DOI: 10.1021/jm050523n
BindingDB Entry DOI: 10.7270/Q2W66KBJ
More data for this
Ligand-Target Pair
Holo-[acyl-carrier-protein] synthase


(Bacillus subtilis)		BDBM50178646
PNG
(5-chloro-2-[(2-methyl-3-phenylpropanoyl)amino]benz...)
Show SMILES CC(Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1C(O)=O
Show InChI InChI=1S/C17H16ClNO3/c1-11(9-12-5-3-2-4-6-12)16(20)19-15-8-7-13(18)10-14(15)17(21)22/h2-8,10-11H,9H2,1H3,(H,19,20)(H,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.80E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Bacillus subtilis AcpS by HTRF assay

J Med Chem 48: 7960-9 (2005)


Article DOI: 10.1021/jm050523n
BindingDB Entry DOI: 10.7270/Q2W66KBJ
More data for this
Ligand-Target Pair
Holo-[acyl-carrier-protein] synthase


(Bacillus subtilis)		BDBM25902
PNG
(4-chloro-2-[(furan-2-ylmethyl)amino]-5-sulfamoylbe...)
Show SMILES NS(=O)(=O)c1cc(C(O)=O)c(NCc2ccco2)cc1Cl
Show InChI InChI=1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19)
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Patents
Article
PubMed
n/an/a 1.27E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Bacillus subtilis AcpS by HTRF assay

J Med Chem 48: 7960-9 (2005)


Article DOI: 10.1021/jm050523n
BindingDB Entry DOI: 10.7270/Q2W66KBJ
More data for this
Ligand-Target Pair
Holo-[acyl-carrier-protein] synthase


(Bacillus subtilis)		BDBM50178648
PNG
(4-chloro-2-{[(2E)-3-(4-chlorophenyl)-2-methylprop-...)
Show SMILES C\C(=C/c1ccc(Cl)cc1)C(=O)Nc1cc(Cl)ccc1C(O)=O
Show InChI InChI=1S/C17H13Cl2NO3/c1-10(8-11-2-4-12(18)5-3-11)16(21)20-15-9-13(19)6-7-14(15)17(22)23/h2-9H,1H3,(H,20,21)(H,22,23)/b10-8+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.23E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Bacillus subtilis AcpS by HTRF assay

J Med Chem 48: 7960-9 (2005)


Article DOI: 10.1021/jm050523n
BindingDB Entry DOI: 10.7270/Q2W66KBJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%