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Compile Data Set for Download or QSAR

Found 29 hits of kd data for polymerid = 50005678   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Heme oxygenase


(Pseudomonas aeruginosa)
BDBM50191284
PNG
(CHEMBL3955732)
Show SMILES Cl.NC(N)=N\N=C\c1ccc(O)cc1
Show InChI InChI=1S/C8H10N4O.ClH/c9-8(10)12-11-5-6-1-3-7(13)4-2-6;/h1-5,13H,(H4,9,10,12);1H/b11-5+;
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n/an/an/a 4.80E+3n/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity to Pseudomonas aeruginosa HemO by intrinsic fluorescence quenching method


Citation and Details
More data for this
Ligand-Target Pair
Heme oxygenase


(Pseudomonas aeruginosa)
BDBM50191303
PNG
(Amino(2-(4-Isopropylbenzylidene)Hydrazinyl)Methani...)
Show SMILES Cl.CC(C)c1ccc(\C=N\NC(N)=N)cc1
Show InChI InChI=1S/C11H16N4.ClH/c1-8(2)10-5-3-9(4-6-10)7-14-15-11(12)13;/h3-8H,1-2H3,(H4,12,13,15);1H/b14-7+;
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n/an/an/a 5.70E+3n/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity to Pseudomonas aeruginosa HemO by intrinsic fluorescence quenching method


Citation and Details
More data for this
Ligand-Target Pair
Heme oxygenase


(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)
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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)

More data for this
Ligand-Target Pair
Heme oxygenase


(Pseudomonas aeruginosa)
BDBM50191283
PNG
(Amino(2-(4-Nitrobenzylidene)Hydrazinyl)Methanimini...)
Show SMILES Cl.NC(=N)N\N=C\c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C8H9N5O2.ClH/c9-8(10)12-11-5-6-1-3-7(4-2-6)13(14)15;/h1-5H,(H4,9,10,12);1H/b11-5+;
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n/an/an/a 6.20E+3n/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity to Pseudomonas aeruginosa HemO by intrinsic fluorescence quenching method


Citation and Details
More data for this
Ligand-Target Pair
Heme oxygenase


(Pseudomonas aeruginosa)
BDBM50191282
PNG
(CHEMBL3920262)
Show SMILES Cl.NC(N)=N\N=C\c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C14H14N4.ClH/c15-14(16)18-17-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;/h1-10H,(H4,15,16,18);1H/b17-10+;
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n/an/an/a 6.70E+3n/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity to Pseudomonas aeruginosa HemO by intrinsic fluorescence quenching method


Citation and Details
More data for this
Ligand-Target Pair
Heme oxygenase


(Pseudomonas aeruginosa)
BDBM50191307
PNG
(CHEMBL3900440)
Show SMILES Cl.NC(N)=N\N=C\c1ccccc1Br
Show InChI InChI=1S/C8H9BrN4.ClH/c9-7-4-2-1-3-6(7)5-12-13-8(10)11;/h1-5H,(H4,10,11,13);1H/b12-5+;
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n/an/an/a 6.70E+3n/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity to Pseudomonas aeruginosa HemO by intrinsic fluorescence quenching method


Citation and Details
More data for this
Ligand-Target Pair
Heme oxygenase


(Pseudomonas aeruginosa)
BDBM50191302
PNG
(4-Chlorobenzaldehyde [Amino(Lambda~5~-Azanylidene)...)
Show SMILES Cl.NC(=N)N\N=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C8H9ClN4.ClH/c9-7-3-1-6(2-4-7)5-12-13-8(10)11;/h1-5H,(H4,10,11,13);1H/b12-5+;
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n/an/an/a 7.00E+3n/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity to Pseudomonas aeruginosa HemO by intrinsic fluorescence quenching method


Citation and Details
More data for this
Ligand-Target Pair
Heme oxygenase


(Pseudomonas aeruginosa)
BDBM50191305
PNG
(Amino(2-(4-Methoxybenzylidene)Hydrazinyl)Methanimi...)
Show SMILES Cl.COc1ccc(\C=N\NC(N)=N)cc1
Show InChI InChI=1S/C9H12N4O.ClH/c1-14-8-4-2-7(3-5-8)6-12-13-9(10)11;/h2-6H,1H3,(H4,10,11,13);1H/b12-6+;
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n/an/an/a 7.80E+3n/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity to Pseudomonas aeruginosa HemO by intrinsic fluorescence quenching method


Citation and Details
More data for this
Ligand-Target Pair
Heme oxygenase


(Pseudomonas aeruginosa)
BDBM50191301
PNG
(CHEMBL3928103)
Show SMILES Cl.NC(N)=N\N=C\c1cc(O)cc(O)c1
Show InChI InChI=1S/C8H10N4O2.ClH/c9-8(10)12-11-4-5-1-6(13)3-7(14)2-5;/h1-4,13-14H,(H4,9,10,12);1H/b11-4+;
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n/an/an/a 8.00E+3n/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity to Pseudomonas aeruginosa HemO by intrinsic fluorescence quenching method


Citation and Details
More data for this
Ligand-Target Pair
Heme oxygenase


(Pseudomonas aeruginosa)
BDBM50191281
PNG
(CHEMBL3932345)
Show SMILES Cl.NC(N)=N\N=C\c1cccc(Br)c1O
Show InChI InChI=1S/C8H9BrN4O.ClH/c9-6-3-1-2-5(7(6)14)4-12-13-8(10)11;/h1-4,14H,(H4,10,11,13);1H/b12-4+;
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n/an/an/a 8.00E+3n/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity to Pseudomonas aeruginosa HemO by intrinsic fluorescence quenching method


Citation and Details
More data for this
Ligand-Target Pair
Heme oxygenase


(Pseudomonas aeruginosa)
BDBM50191288
PNG
(CHEMBL3982697)
Show SMILES Cl.NC(N)=N\N=C\c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C8H8Cl2N4.ClH/c9-6-2-1-5(3-7(6)10)4-13-14-8(11)12;/h1-4H,(H4,11,12,14);1H/b13-4+;
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n/an/an/a 8.40E+3n/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity to Pseudomonas aeruginosa HemO by intrinsic fluorescence quenching method


Citation and Details
More data for this
Ligand-Target Pair
Heme oxygenase


(Pseudomonas aeruginosa)
BDBM50191297
PNG
(Amino(2-(3-Chlorobenzylidene)Hydrazinyl)Methanimin...)
Show SMILES Cl.NC(=N)N\N=C\c1cccc(Cl)c1
Show InChI InChI=1S/C8H9ClN4.ClH/c9-7-3-1-2-6(4-7)5-12-13-8(10)11;/h1-5H,(H4,10,11,13);1H/b12-5+;
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n/an/an/a 8.40E+3n/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity to Pseudomonas aeruginosa HemO by intrinsic fluorescence quenching method


Citation and Details
More data for this
Ligand-Target Pair
Heme oxygenase


(Pseudomonas aeruginosa)
BDBM50191300
PNG
(Amino(2-(4-(Dimethylamino)Benzylidene)Hydrazinyl)M...)
Show SMILES Cl.CN(C)c1ccc(\C=N\NC(N)=N)cc1
Show InChI InChI=1S/C10H15N5.ClH/c1-15(2)9-5-3-8(4-6-9)7-13-14-10(11)12;/h3-7H,1-2H3,(H4,11,12,14);1H/b13-7+;
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n/an/an/a 8.80E+3n/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity to Pseudomonas aeruginosa HemO by intrinsic fluorescence quenching method


Citation and Details
More data for this
Ligand-Target Pair
Heme oxygenase


(Pseudomonas aeruginosa)
BDBM50191285
PNG
(CHEMBL105616)
Show SMILES Cl.NC(=N)N\N=C\c1ccccc1O
Show InChI InChI=1S/C8H10N4O.ClH/c9-8(10)12-11-5-6-3-1-2-4-7(6)13;/h1-5,13H,(H4,9,10,12);1H/b11-5+;
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n/an/an/a 9.20E+3n/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity to Pseudomonas aeruginosa HemO by intrinsic fluorescence quenching method


Citation and Details
More data for this
Ligand-Target Pair
Heme oxygenase


(Pseudomonas aeruginosa)
BDBM50191304
PNG
(Amino(2-(2-Fluorobenzylidene)Hydrazinyl)Methanimin...)
Show SMILES Cl.NC(=N)N\N=C\c1ccccc1F
Show InChI InChI=1S/C8H9FN4.ClH/c9-7-4-2-1-3-6(7)5-12-13-8(10)11;/h1-5H,(H4,10,11,13);1H/b12-5+;
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n/an/an/a 1.10E+4n/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity to Pseudomonas aeruginosa HemO by intrinsic fluorescence quenching method


Citation and Details
More data for this
Ligand-Target Pair
Heme oxygenase


(Pseudomonas aeruginosa)
BDBM50191308
PNG
(Amino(2-(2-Chlorobenzylidene)Hydrazinyl)Methanimin...)
Show SMILES Cl.NC(=N)N\N=C\c1ccccc1Cl
Show InChI InChI=1S/C8H9ClN4.ClH/c9-7-4-2-1-3-6(7)5-12-13-8(10)11;/h1-5H,(H4,10,11,13);1H/b12-5+;
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n/an/an/a 1.10E+4n/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity to Pseudomonas aeruginosa HemO by intrinsic fluorescence quenching method


Citation and Details
More data for this
Ligand-Target Pair
Heme oxygenase


(Pseudomonas aeruginosa)
BDBM50191279
PNG
(CHEMBL3969135)
Show SMILES Cl.NC(N)=N\N=C\c1cccc(F)c1
Show InChI InChI=1S/C8H9FN4.ClH/c9-7-3-1-2-6(4-7)5-12-13-8(10)11;/h1-5H,(H4,10,11,13);1H/b12-5+;
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n/an/an/a 1.20E+4n/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity to Pseudomonas aeruginosa HemO by intrinsic fluorescence quenching method


Citation and Details
More data for this
Ligand-Target Pair
Heme oxygenase


(Pseudomonas aeruginosa)
BDBM50191276
PNG
(CHEMBL2346938)
Show SMILES Cl.NC(=N)N\N=C\c1cccc2ccccc12
Show InChI InChI=1S/C12H12N4.ClH/c13-12(14)16-15-8-10-6-3-5-9-4-1-2-7-11(9)10;/h1-8H,(H4,13,14,16);1H/b15-8+;
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n/an/an/a 1.20E+4n/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity to Pseudomonas aeruginosa HemO by intrinsic fluorescence quenching method


Citation and Details
More data for this
Ligand-Target Pair
Heme oxygenase


(Pseudomonas aeruginosa)
BDBM50191277
PNG
(CHEMBL3960464)
Show SMILES Cl.NC(N)=N\N=C\c1cccc(Br)c1
Show InChI InChI=1S/C8H9BrN4.ClH/c9-7-3-1-2-6(4-7)5-12-13-8(10)11;/h1-5H,(H4,10,11,13);1H/b12-5+;
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n/an/an/a 1.20E+4n/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity to Pseudomonas aeruginosa HemO by intrinsic fluorescence quenching method


Citation and Details
More data for this
Ligand-Target Pair
Heme oxygenase


(Pseudomonas aeruginosa)
BDBM50191299
PNG
(Amino(2-(4-Fluorobenzylidene)Hydrazinyl)Methanimin...)
Show SMILES Cl.NC(=N)N\N=C\c1ccc(F)cc1
Show InChI InChI=1S/C8H9FN4.ClH/c9-7-3-1-6(2-4-7)5-12-13-8(10)11;/h1-5H,(H4,10,11,13);1H/b12-5+;
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n/an/an/a 1.40E+4n/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity to Pseudomonas aeruginosa HemO by intrinsic fluorescence quenching method


Citation and Details
More data for this
Ligand-Target Pair
Heme oxygenase


(Pseudomonas aeruginosa)
BDBM50191287
PNG
(CHEMBL1976834)
Show SMILES Cl.NC(=N)N\N=C\c1ccc(Br)cc1
Show InChI InChI=1S/C8H9BrN4.ClH/c9-7-3-1-6(2-4-7)5-12-13-8(10)11;/h1-5H,(H4,10,11,13);1H/b12-5+;
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n/an/an/a 1.50E+4n/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity to Pseudomonas aeruginosa HemO by intrinsic fluorescence quenching method


Citation and Details
More data for this
Ligand-Target Pair
Heme oxygenase


(Pseudomonas aeruginosa)
BDBM50371142
PNG
(CHEMBL425837)
Show SMILES Clc1ccc(CC(=O)NN=Cc2c[nH]c3ccccc23)cc1
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)
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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)

More data for this
Ligand-Target Pair
Heme oxygenase


(Pseudomonas aeruginosa)
BDBM50371139
PNG
(CHEMBL395101)
Show SMILES NC(NN=Cc1cccnc1)=NN=Cc1cccnc1
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)
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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)

More data for this
Ligand-Target Pair
Heme oxygenase


(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+
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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)

More data for this
Ligand-Target Pair
Heme oxygenase


(Pseudomonas aeruginosa)
BDBM50191306
PNG
(CHEMBL3944104)
Show SMILES Cl.NC(N)=N\N=C\c1cccc(O)c1
Show InChI InChI=1S/C8H10N4O.ClH/c9-8(10)12-11-5-6-2-1-3-7(13)4-6;/h1-5,13H,(H4,9,10,12);1H/b11-5+;
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n/an/an/a 2.10E+4n/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity to Pseudomonas aeruginosa HemO by intrinsic fluorescence quenching method


Citation and Details
More data for this
Ligand-Target Pair
Heme oxygenase


(Pseudomonas aeruginosa)
BDBM50371143
PNG
(CHEMBL244625)
Show SMILES CN(C)c1ccc(C=NN=C(N)N)cc1
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)
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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)

More data for this
Ligand-Target Pair
Heme oxygenase


(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)
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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)

More data for this
Ligand-Target Pair
Heme oxygenase


(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
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
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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)

More data for this
Ligand-Target Pair
Heme oxygenase


(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

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

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)

More data for this
Ligand-Target Pair