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PubMed code 17629261

Compile data set for download or QSAR
Found 8 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
Iron-starvation protein PigA


(Pseudomonas aeruginosa)
BDBM50371138
PNG
(CHEMBL230638)
Show SMILES [O-][N+](=O)c1ccccc1C(=O)Nc1ccc(cc1)-c1cn2ccccc2n1
Show InChI InChI=1S/C20H14N4O3/c25-20(16-5-1-2-6-18(16)24(26)27)21-15-10-8-14(9-11-15)17-13-23-12-4-3-7-19(23)22-17/h1-13H,(H,21,25)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 6.10E+3n/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity to Pseudomonas aeruginosa heme oxygenase


J Med Chem 50: 3804-13 (2007)


Article DOI: 10.1021/jm0700969
BindingDB Entry DOI: 10.7270/Q2PZ59NM
More data for this
Ligand-Target Pair
Iron-starvation protein PigA


(Pseudomonas aeruginosa)
BDBM50371139
PNG
(CHEMBL395101)
Show SMILES NC(NN=Cc1cccnc1)=NN=Cc1cccnc1 |w:3.2,13.14,11.12|
Show InChI InChI=1S/C13H13N7/c14-13(19-17-9-11-3-1-5-15-7-11)20-18-10-12-4-2-6-16-8-12/h1-10H,(H3,14,19,20)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.59E+4n/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity to Pseudomonas aeruginosa heme oxygenase


J Med Chem 50: 3804-13 (2007)


Article DOI: 10.1021/jm0700969
BindingDB Entry DOI: 10.7270/Q2PZ59NM
More data for this
Ligand-Target Pair
Iron-starvation protein PigA


(Pseudomonas aeruginosa)
BDBM50371140
PNG
(CHEMBL396483)
Show SMILES NCc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C7H7N3O4/c8-4-5-1-2-6(9(11)12)3-7(5)10(13)14/h1-3H,4,8H2
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.87E+5n/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity to Pseudomonas aeruginosa heme oxygenase


J Med Chem 50: 3804-13 (2007)


Article DOI: 10.1021/jm0700969
BindingDB Entry DOI: 10.7270/Q2PZ59NM
More data for this
Ligand-Target Pair
Iron-starvation protein PigA


(Pseudomonas aeruginosa)
BDBM50371144
PNG
(CHEMBL395102)
Show SMILES OC(=O)\C=C\C(=O)Nc1ccc(Nc2ccccc2)cc1
Show InChI InChI=1S/C16H14N2O3/c19-15(10-11-16(20)21)18-14-8-6-13(7-9-14)17-12-4-2-1-3-5-12/h1-11,17H,(H,18,19)(H,20,21)/b11-10+
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 2.01E+4n/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity to Pseudomonas aeruginosa heme oxygenase


J Med Chem 50: 3804-13 (2007)


Article DOI: 10.1021/jm0700969
BindingDB Entry DOI: 10.7270/Q2PZ59NM
More data for this
Ligand-Target Pair
Iron-starvation protein PigA


(Pseudomonas aeruginosa)
BDBM50371141
PNG
(CHEMBL230431)
Show SMILES O=C(NNC(=O)c1ccncc1)c1ccncc1
Show InChI InChI=1S/C12H10N4O2/c17-11(9-1-5-13-6-2-9)15-16-12(18)10-3-7-14-8-4-10/h1-8H,(H,15,17)(H,16,18)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
PC cid
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UniChem

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Article
PubMed
n/an/an/a 4.47E+4n/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity to Pseudomonas aeruginosa heme oxygenase


J Med Chem 50: 3804-13 (2007)


Article DOI: 10.1021/jm0700969
BindingDB Entry DOI: 10.7270/Q2PZ59NM
More data for this
Ligand-Target Pair
Iron-starvation protein PigA


(Pseudomonas aeruginosa)
BDBM50371142
PNG
(CHEMBL425837)
Show SMILES Clc1ccc(CC(=O)NN=Cc2c[nH]c3ccccc23)cc1 |w:10.10|
Show InChI InChI=1S/C17H14ClN3O/c18-14-7-5-12(6-8-14)9-17(22)21-20-11-13-10-19-16-4-2-1-3-15(13)16/h1-8,10-11,19H,9H2,(H,21,22)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.58E+4n/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity to Pseudomonas aeruginosa heme oxygenase


J Med Chem 50: 3804-13 (2007)


Article DOI: 10.1021/jm0700969
BindingDB Entry DOI: 10.7270/Q2PZ59NM
More data for this
Ligand-Target Pair
Iron-starvation protein PigA


(Pseudomonas aeruginosa)
BDBM52267
PNG
(6-amino-5-cyano-4-(4-hydroxy-3-methoxy-phenyl)-2-m...)
Show SMILES CCOC(=O)C1=C(C)OC(=N)C(C#N)C1c1ccc(O)c(OC)c1 |c:5|
Show InChI InChI=1S/C17H18N2O5/c1-4-23-17(21)14-9(2)24-16(19)11(8-18)15(14)10-5-6-12(20)13(7-10)22-3/h5-7,11,15,19-20H,4H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 7.28E+4n/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity to Pseudomonas aeruginosa heme oxygenase


J Med Chem 50: 3804-13 (2007)


Article DOI: 10.1021/jm0700969
BindingDB Entry DOI: 10.7270/Q2PZ59NM
More data for this
Ligand-Target Pair
Iron-starvation protein PigA


(Pseudomonas aeruginosa)
BDBM50371143
PNG
(CHEMBL244625)
Show SMILES [#6]-[#7](-[#6])-c1ccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])cc1 |w:7.6|
Show InChI InChI=1S/C10H15N5/c1-15(2)9-5-3-8(4-6-9)7-13-14-10(11)12/h3-7H,1-2H3,(H4,11,12,14)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/an/a 3.00E+4n/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity to Pseudomonas aeruginosa heme oxygenase


J Med Chem 50: 3804-13 (2007)


Article DOI: 10.1021/jm0700969
BindingDB Entry DOI: 10.7270/Q2PZ59NM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%