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Compile Data Set for Download or QSAR

Found 14 hits of ph data with Target = 'Beta-lactamase (CTX-M)'   
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-lactamase (CTX-M)


(Escherichia coli)
BDBM36449
PNG
(CID25181262 | ZINC12596968, 13)
Show SMILES Cn1cc(C(=O)Nc2cccc(c2)-c2nn[n-]n2)c2ccccc12
Show InChI InChI=1S/C17H14N6O/c1-23-10-14(13-7-2-3-8-15(13)23)17(24)18-12-6-4-5-11(9-12)16-19-21-22-20-16/h2-10H,1H3,(H2,18,19,20,21,22,24)/p-1
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UniChem
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PubMed
1.00E+4n/an/an/an/an/an/a7.0n/a



University of California, San Francisco



Assay Description
Class A Beta-lactamase CTX-M inhibition assay


Nat Chem Biol 5: 358-64 (2009)


Article DOI: 10.1038/nchembio.155
BindingDB Entry DOI: 10.7270/Q24M92WZ
More data for this
Ligand-Target Pair
Beta-lactamase (CTX-M)


(Escherichia coli)
BDBM36450
PNG
(CID25181263 | ZINC09447957, 14)
Show SMILES O=C(Nc1cccc(c1)-c1nn[n-]n1)C(Sc1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H17N5OS/c27-21(22-17-11-7-10-16(14-17)20-23-25-26-24-20)19(15-8-3-1-4-9-15)28-18-12-5-2-6-13-18/h1-14,19H,(H2,22,23,24,25,26,27)/p-1
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UniChem
Article
PubMed
1.20E+4n/an/an/an/an/an/a7.0n/a



University of California, San Francisco



Assay Description
Class A Beta-lactamase CTX-M inhibition assay


Nat Chem Biol 5: 358-64 (2009)


Article DOI: 10.1038/nchembio.155
BindingDB Entry DOI: 10.7270/Q24M92WZ
More data for this
Ligand-Target Pair
Beta-lactamase (CTX-M)


(Escherichia coli)
BDBM36448
PNG
(CID8067740 | ZINC06742509, 12)
Show SMILES Fc1cccc(c1)C(=O)Nc1cccc(c1)-c1nn[n-]n1
Show InChI InChI=1S/C14H10FN5O/c15-11-5-1-4-10(7-11)14(21)16-12-6-2-3-9(8-12)13-17-19-20-18-13/h1-8H,(H2,16,17,18,19,20,21)/p-1
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UniChem
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2.10E+4n/an/an/an/an/an/a7.0n/a



University of California, San Francisco



Assay Description
Class A Beta-lactamase CTX-M inhibition assay


Nat Chem Biol 5: 358-64 (2009)


Article DOI: 10.1038/nchembio.155
BindingDB Entry DOI: 10.7270/Q24M92WZ
More data for this
Ligand-Target Pair
Beta-lactamase (CTX-M)


(Escherichia coli)
BDBM36442
PNG
(CID7129233 | ZINC04206703, 6)
Show SMILES O=C1N(CCc2nn[n-]n2)C(=O)c2ccccc12
Show InChI InChI=1S/C11H8N5O2/c17-10-7-3-1-2-4-8(7)11(18)16(10)6-5-9-12-14-15-13-9/h1-4H,5-6H2/q-1
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UniChem
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1.94E+5n/an/an/an/an/an/a7.0n/a



University of California, San Francisco



Assay Description
Class A Beta-lactamase CTX-M inhibition assay


Nat Chem Biol 5: 358-64 (2009)


Article DOI: 10.1038/nchembio.155
BindingDB Entry DOI: 10.7270/Q24M92WZ
More data for this
Ligand-Target Pair
Beta-lactamase (CTX-M)


(Escherichia coli)
BDBM36446
PNG
(CID1714428 | ZINC02028932, 10)
Show SMILES [O-]S(=O)(=O)[C@H]1CC(=O)C(=O)c2ccccc12
Show InChI InChI=1S/C10H8O5S/c11-8-5-9(16(13,14)15)6-3-1-2-4-7(6)10(8)12/h1-4,9H,5H2,(H,13,14,15)/p-1/t9-/m0/s1
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UniChem
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PubMed
7.00E+5n/an/an/an/an/an/a7.0n/a



University of California, San Francisco



Assay Description
Class A Beta-lactamase CTX-M inhibition assay


Nat Chem Biol 5: 358-64 (2009)


Article DOI: 10.1038/nchembio.155
BindingDB Entry DOI: 10.7270/Q24M92WZ
More data for this
Ligand-Target Pair
Beta-lactamase (CTX-M)


(Escherichia coli)
BDBM36441
PNG
(CID25181261 | ZINC01707328, 5)
Show SMILES [O-]C(=O)CN1C(=O)O[C@H](C1=O)c1ccccc1
Show InChI InChI=1S/C11H9NO5/c13-8(14)6-12-10(15)9(17-11(12)16)7-4-2-1-3-5-7/h1-5,9H,6H2,(H,13,14)/p-1/t9-/m0/s1
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7.00E+5n/an/an/an/an/an/a7.0n/a



University of California, San Francisco



Assay Description
Class A Beta-lactamase CTX-M inhibition assay


Nat Chem Biol 5: 358-64 (2009)


Article DOI: 10.1038/nchembio.155
BindingDB Entry DOI: 10.7270/Q24M92WZ
More data for this
Ligand-Target Pair
Beta-lactamase (CTX-M)


(Escherichia coli)
BDBM36444
PNG
(CHEMBL61245 | CID1550768 | ZINC01669713, 8)
Show SMILES [O-]S(=O)(=O)C1=CC(=O)C(=O)c2ccccc12
Show InChI InChI=1S/C10H6O5S/c11-8-5-9(16(13,14)15)6-3-1-2-4-7(6)10(8)12/h1-5H,(H,13,14,15)/p-1
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Article
PubMed
1.00E+6n/an/an/an/an/an/a7.0n/a



University of California, San Francisco



Assay Description
Class A Beta-lactamase CTX-M inhibition assay


Nat Chem Biol 5: 358-64 (2009)


Article DOI: 10.1038/nchembio.155
BindingDB Entry DOI: 10.7270/Q24M92WZ
More data for this
Ligand-Target Pair
Beta-lactamase (CTX-M)


(Escherichia coli)
BDBM36445
PNG
(CID7010321 | ZINC02389418, 9)
Show SMILES C(Oc1cccc(c1)-c1nn[n-]n1)c1ccccc1
Show InChI InChI=1S/C14H11N4O/c1-2-5-11(6-3-1)10-19-13-8-4-7-12(9-13)14-15-17-18-16-14/h1-9H,10H2/q-1
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1.00E+6n/an/an/an/an/an/a7.0n/a



University of California, San Francisco



Assay Description
Class A Beta-lactamase CTX-M inhibition assay


Nat Chem Biol 5: 358-64 (2009)


Article DOI: 10.1038/nchembio.155
BindingDB Entry DOI: 10.7270/Q24M92WZ
More data for this
Ligand-Target Pair
Beta-lactamase (CTX-M)


(Escherichia coli)
BDBM36447
PNG
(CID 7263523 | ZINC04511491, 11)
Show SMILES O=c1n(Cc2nn[n-]n2)cnc2sc3CCCCc3c12
Show InChI InChI=1S/C12H11N6OS/c19-12-10-7-3-1-2-4-8(7)20-11(10)13-6-18(12)5-9-14-16-17-15-9/h6H,1-5H2/q-1
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1.10E+6n/an/an/an/an/an/a7.0n/a



University of California, San Francisco



Assay Description
Class A Beta-lactamase CTX-M inhibition assay


Nat Chem Biol 5: 358-64 (2009)


Article DOI: 10.1038/nchembio.155
BindingDB Entry DOI: 10.7270/Q24M92WZ
More data for this
Ligand-Target Pair
Beta-lactamase (CTX-M)


(Escherichia coli)
BDBM36440
PNG
(CID25181259 | ZINC13785333, 4)
Show SMILES C[C@H](N1C(=O)C2C3CCC(C3)C2C1=O)C([O-])=O
Show InChI InChI=1S/C12H15NO4/c1-5(12(16)17)13-10(14)8-6-2-3-7(4-6)9(8)11(13)15/h5-9H,2-4H2,1H3,(H,16,17)/p-1/t5-,6?,7?,8?,9?/m0/s1
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UniChem
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PubMed
1.30E+6n/an/an/an/an/an/a7.0n/a



University of California, San Francisco



Assay Description
Class A Beta-lactamase CTX-M inhibition assay


Nat Chem Biol 5: 358-64 (2009)


Article DOI: 10.1038/nchembio.155
BindingDB Entry DOI: 10.7270/Q24M92WZ
More data for this
Ligand-Target Pair
Beta-lactamase (CTX-M)


(Escherichia coli)
BDBM36443
PNG
(CID7348363 | ZINC04753704, 7)
Show SMILES Nc1sc2CCCCc2c1-c1nn[n-]n1
Show InChI InChI=1S/C9H10N5S/c10-8-7(9-11-13-14-12-9)5-3-1-2-4-6(5)15-8/h1-4,10H2/q-1
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3.00E+6n/an/an/an/an/an/a7.0n/a



University of California, San Francisco



Assay Description
Class A Beta-lactamase CTX-M inhibition assay


Nat Chem Biol 5: 358-64 (2009)


Article DOI: 10.1038/nchembio.155
BindingDB Entry DOI: 10.7270/Q24M92WZ
More data for this
Ligand-Target Pair
Beta-lactamase (CTX-M)


(Escherichia coli)
BDBM36439
PNG
(CID7100106 | ZINC04105014, 3)
Show SMILES [O-]C(=O)[C@H]1C[C@H]1C(=O)Nc1cc(F)ccc1F
Show InChI InChI=1S/C11H9F2NO3/c12-5-1-2-8(13)9(3-5)14-10(15)6-4-7(6)11(16)17/h1-3,6-7H,4H2,(H,14,15)(H,16,17)/p-1/t6-,7+/m1/s1
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3.10E+6n/an/an/an/an/an/a7.0n/a



University of California, San Francisco



Assay Description
Class A Beta-lactamase CTX-M inhibition assay


Nat Chem Biol 5: 358-64 (2009)


Article DOI: 10.1038/nchembio.155
BindingDB Entry DOI: 10.7270/Q24M92WZ
More data for this
Ligand-Target Pair
Beta-lactamase (CTX-M)


(Escherichia coli)
BDBM36438
PNG
(CID25181258 | ZINC04401406, 2)
Show SMILES O=C1CCCC(Nc2nn[n-]n2)=C1
Show InChI InChI=1S/C7H9N5O/c13-6-3-1-2-5(4-6)8-7-9-11-12-10-7/h4H,1-3H2,(H2,8,9,10,11,12,13)/p-1
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UniChem
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4.40E+6n/an/an/an/an/an/a7.0n/a



University of California, San Francisco



Assay Description
Class A Beta-lactamase CTX-M inhibition assay


Nat Chem Biol 5: 358-64 (2009)


Article DOI: 10.1038/nchembio.155
BindingDB Entry DOI: 10.7270/Q24M92WZ
More data for this
Ligand-Target Pair
Beta-lactamase (CTX-M)


(Escherichia coli)
BDBM36437
PNG
(CID7357365 | ZINC04784270, 1)
Show SMILES CCc1c(C)[nH]n(-c2nn[n-]n2)c1=O
Show InChI InChI=1S/C7H10N6O/c1-3-5-4(2)10-13(6(5)14)7-8-11-12-9-7/h3H2,1-2H3,(H2,8,9,10,11,12,14)/p-1
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University of California, San Francisco



Assay Description
Class A Beta-lactamase CTX-M inhibition assay


Nat Chem Biol 5: 358-64 (2009)


Article DOI: 10.1038/nchembio.155
BindingDB Entry DOI: 10.7270/Q24M92WZ
More data for this
Ligand-Target Pair