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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 199.1
BDBM50021959
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Wt: 435.4
BDBM50240480
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Wt: 427.4
BDBM50335563
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Wt: 455.4
BDBM50335523
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 87 hits in this display   
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 ADC-33


(Acinetobacter baumannii)
BDBM50240480
PNG
((2S,3S)-3-({(2Z)-2-(2-ammonio-1,3-thiazol-4-yl)-2-...)
Show SMILES C[C@H]1[C@H](NC(=O)C(=N/OC(C)(C)C(O)=O)\c2csc(N)n2)C(=O)N1S(O)(=O)=O
Show InChI InChI=1S/C13H17N5O8S2/c1-5-7(10(20)18(5)28(23,24)25)16-9(19)8(6-4-27-12(14)15-6)17-26-13(2,3)11(21)22/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25)/b17-8-/t5-,7-/m0/s1
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7n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Activity of Acinetobacter baumannii ADC-33 beta-lactamase


Antimicrob Agents Chemother 54: 3484-8 (2010)


Article DOI: 10.1128/AAC.00050-10
BindingDB Entry DOI: 10.7270/Q2348KM2
More data for this
Ligand-Target Pair
Beta-lactamase ADC-33


(Acinetobacter baumannii)
BDBM50335563
PNG
((6R,7R)-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-(...)
Show SMILES CO[C@]1(NC(=O)Cc2cccs2)[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O
Show InChI InChI=1S/C16H17N3O7S2/c1-25-16(18-10(20)5-9-3-2-4-27-9)13(23)19-11(12(21)22)8(6-26-15(17)24)7-28-14(16)19/h2-4,14H,5-7H2,1H3,(H2,17,24)(H,18,20)(H,21,22)/t14-,16+/m1/s1
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100n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Activity of Acinetobacter baumannii ADC-33 beta-lactamase


Antimicrob Agents Chemother 54: 3484-8 (2010)


Article DOI: 10.1128/AAC.00050-10
BindingDB Entry DOI: 10.7270/Q2348KM2
More data for this
Ligand-Target Pair
Solute carrier family 22 member 8


(Homo sapiens)
BDBM50335523
PNG
((6R,7R)-3-(acetoxymethyl)-7-(2-(2-aminothiazol-4-y...)
Show SMILES CO\N=C(\C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1
Show InChI InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9+/t10-,14-/m1/s1
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290n/an/an/an/an/an/an/an/a



Kyorin University School of Medicine

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Estrone sulfate uptake in OAT3-expressing S2 cells


Eur J Pharmacol 438: 137-42 (2002)


Article DOI: 10.1016/s0014-2999(02)01306-7
BindingDB Entry DOI: 10.7270/Q2N87C2C
More data for this
Ligand-Target Pair
Beta-lactamase ADC-33


(Acinetobacter baumannii)
BDBM50335523
PNG
((6R,7R)-3-(acetoxymethyl)-7-(2-(2-aminothiazol-4-y...)
Show SMILES CO\N=C(\C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1
Show InChI InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9+/t10-,14-/m1/s1
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500n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Activity of Acinetobacter baumannii ADC-33 beta-lactamase


Antimicrob Agents Chemother 54: 3484-8 (2010)


Article DOI: 10.1128/AAC.00050-10
BindingDB Entry DOI: 10.7270/Q2348KM2
More data for this
Ligand-Target Pair
ADC-11


(Acinetobacter baumannii)
BDBM50335563
PNG
((6R,7R)-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-(...)
Show SMILES CO[C@]1(NC(=O)Cc2cccs2)[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O
Show InChI InChI=1S/C16H17N3O7S2/c1-25-16(18-10(20)5-9-3-2-4-27-9)13(23)19-11(12(21)22)8(6-26-15(17)24)7-28-14(16)19/h2-4,14H,5-7H2,1H3,(H2,17,24)(H,18,20)(H,21,22)/t14-,16+/m1/s1
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500n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Activity of Acinetobacter baumannii ADC-11 beta-lactamase


Antimicrob Agents Chemother 54: 3484-8 (2010)


Article DOI: 10.1128/AAC.00050-10
BindingDB Entry DOI: 10.7270/Q2348KM2
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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800n/an/an/an/an/an/an/an/a



CNRS-CERCOA

Curated by ChEMBL


Assay Description
Inhibition constant (Ki) for TEM-1 beta-lactamase


J Med Chem 31: 370-4 (1988)


Article DOI: 10.1021/jm00397a018
BindingDB Entry DOI: 10.7270/Q21R6PHS
More data for this
Ligand-Target Pair
SHV-1 beta-lactamase


(Klebsiella pneumoniae (Enterobacteria))
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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2.00E+3n/a 100n/an/an/an/a7.4n/a



Case Western Reserve University



Assay Description
Steady state kinetics were performed on an Agilent 8453 diode array spectrophotometer in 10 mM phosphate-buffered saline (pH 7.4). IC50, defined as t...


Biochemistry 54: 734-43 (2015)


Article DOI: 10.1021/bi501197t
BindingDB Entry DOI: 10.7270/Q2736PNW
More data for this
Ligand-Target Pair
PER-2 beta-lactamase


(Citrobacter freundii)
BDBM50240480
PNG
((2S,3S)-3-({(2Z)-2-(2-ammonio-1,3-thiazol-4-yl)-2-...)
Show SMILES C[C@H]1[C@H](NC(=O)C(=N/OC(C)(C)C(O)=O)\c2csc(N)n2)C(=O)N1S(O)(=O)=O
Show InChI InChI=1S/C13H17N5O8S2/c1-5-7(10(20)18(5)28(23,24)25)16-9(19)8(6-4-27-12(14)15-6)17-26-13(2,3)11(21)22/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25)/b17-8-/t5-,7-/m0/s1
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2.00E+3n/an/an/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Citrobacter freundii PER2 beta lactamase


Antimicrob Agents Chemother 51: 2359-65 (2007)


Article DOI: 10.1128/AAC.01395-06
BindingDB Entry DOI: 10.7270/Q24X57J4
More data for this
Ligand-Target Pair
ADC-11


(Acinetobacter baumannii)
BDBM50335523
PNG
((6R,7R)-3-(acetoxymethyl)-7-(2-(2-aminothiazol-4-y...)
Show SMILES CO\N=C(\C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1
Show InChI InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9+/t10-,14-/m1/s1
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2.50E+3n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Activity of Acinetobacter baumannii ADC-11 beta-lactamase


Antimicrob Agents Chemother 54: 3484-8 (2010)


Article DOI: 10.1128/AAC.00050-10
BindingDB Entry DOI: 10.7270/Q2348KM2
More data for this
Ligand-Target Pair
ADC-11


(Acinetobacter baumannii)
BDBM50240480
PNG
((2S,3S)-3-({(2Z)-2-(2-ammonio-1,3-thiazol-4-yl)-2-...)
Show SMILES C[C@H]1[C@H](NC(=O)C(=N/OC(C)(C)C(O)=O)\c2csc(N)n2)C(=O)N1S(O)(=O)=O
Show InChI InChI=1S/C13H17N5O8S2/c1-5-7(10(20)18(5)28(23,24)25)16-9(19)8(6-4-27-12(14)15-6)17-26-13(2,3)11(21)22/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25)/b17-8-/t5-,7-/m0/s1
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3.00E+3n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Activity of Acinetobacter baumannii ADC-11 beta-lactamase


Antimicrob Agents Chemother 54: 3484-8 (2010)


Article DOI: 10.1128/AAC.00050-10
BindingDB Entry DOI: 10.7270/Q2348KM2
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Homo sapiens)
BDBM50335523
PNG
((6R,7R)-3-(acetoxymethyl)-7-(2-(2-aminothiazol-4-y...)
Show SMILES CO\N=C(\C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1
Show InChI InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9+/t10-,14-/m1/s1
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3.13E+3n/an/an/an/an/an/an/an/a



Kyorin University School of Medicine

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of PAH uptake in OAT1-expressing S2 cells


Eur J Pharmacol 438: 137-42 (2002)


Article DOI: 10.1016/s0014-2999(02)01306-7
BindingDB Entry DOI: 10.7270/Q2N87C2C
More data for this
Ligand-Target Pair
Solute carrier family 22 member 11


(Homo sapiens)
BDBM50335523
PNG
((6R,7R)-3-(acetoxymethyl)-7-(2-(2-aminothiazol-4-y...)
Show SMILES CO\N=C(\C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1
Show InChI InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9+/t10-,14-/m1/s1
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6.15E+3n/an/an/an/an/an/an/an/a



Kyorin University School of Medicine

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Estrone sulfate uptake in OAT4-expressing S2 cells


Eur J Pharmacol 438: 137-42 (2002)


Article DOI: 10.1016/s0014-2999(02)01306-7
BindingDB Entry DOI: 10.7270/Q2N87C2C
More data for this
Ligand-Target Pair
Class A beta-lactamase BlaC (BlaC)


(Mycobacterium tuberculosis H37Rv)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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6.30E+3n/an/an/an/an/an/a7.2n/a



Indian Institute of Technology



Assay Description
Steady state kinetics were performed on an Agilent 8453 diode array spectrophotometer in sodium phosphate buffer (50 mM, pH 7.2) and a 1 cm pathlengt...


Biochemistry 54: 5657-64 (2015)


Article DOI: 10.1021/acs.biochem.5b00698
BindingDB Entry DOI: 10.7270/Q29W0D7G
More data for this
Ligand-Target Pair
Class A carbapenemase KPC-2


(Escherichia coli)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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1.10E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
Inhibition of Klebsiella pneumoniae 1534 beta-lactamase KPC-2 by competitive assay


Antimicrob Agents Chemother 54: 2867-77 (2010)


Article DOI: 10.1128/AAC.00197-10
BindingDB Entry DOI: 10.7270/Q2QJ7HJP
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens)
BDBM50335563
PNG
((6R,7R)-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-(...)
Show SMILES CO[C@]1(NC(=O)Cc2cccs2)[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O
Show InChI InChI=1S/C16H17N3O7S2/c1-25-16(18-10(20)5-9-3-2-4-27-9)13(23)19-11(12(21)22)8(6-26-15(17)24)7-28-14(16)19/h2-4,14H,5-7H2,1H3,(H2,17,24)(H,18,20)(H,21,22)/t14-,16+/m1/s1
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1.00E+7n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


J Med Chem 48: 4410-9 (2005)


Article DOI: 10.1021/jm048982w
BindingDB Entry DOI: 10.7270/Q2Q24116
More data for this
Ligand-Target Pair
Solute carrier family 15 member 2


(Homo sapiens)
BDBM50335523
PNG
((6R,7R)-3-(acetoxymethyl)-7-(2-(2-aminothiazol-4-y...)
Show SMILES CO\N=C(\C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1
Show InChI InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9+/t10-,14-/m1/s1
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2.00E+7n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Binding affinity to human PepT2 in SKTP cells


Bioorg Med Chem 19: 4544-51 (2011)


Article DOI: 10.1016/j.bmc.2011.06.027
BindingDB Entry DOI: 10.7270/Q2MP549P
More data for this
Ligand-Target Pair
Oligopeptide transporter, kidney isoform


(Rattus norvegicus)
BDBM50335523
PNG
((6R,7R)-3-(acetoxymethyl)-7-(2-(2-aminothiazol-4-y...)
Show SMILES CO\N=C(\C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1
Show InChI InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9+/t10-,14-/m1/s1
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2.00E+7n/an/an/an/an/an/an/an/a



Biozentrum of the Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Gly-Sar uptake (pH6.0) in SKPT cells


Eur J Pharm Biopharm 59: 17-24 (2004)


Article DOI: 10.1016/j.ejpb.2004.07.008
BindingDB Entry DOI: 10.7270/Q2TT4S7H
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens)
BDBM50335523
PNG
((6R,7R)-3-(acetoxymethyl)-7-(2-(2-aminothiazol-4-y...)
Show SMILES CO\N=C(\C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1
Show InChI InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9+/t10-,14-/m1/s1
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>3.00E+7n/an/an/an/an/an/an/an/a



Biozentrum of the Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Gly-Sar uptake (pH6.0) in Caco-2 cells


Eur J Pharm Biopharm 59: 17-24 (2004)


Article DOI: 10.1016/j.ejpb.2004.07.008
BindingDB Entry DOI: 10.7270/Q2TT4S7H
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens)
BDBM50335523
PNG
((6R,7R)-3-(acetoxymethyl)-7-(2-(2-aminothiazol-4-y...)
Show SMILES CO\N=C(\C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1
Show InChI InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9+/t10-,14-/m1/s1
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>3.00E+7n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


J Med Chem 48: 4410-9 (2005)


Article DOI: 10.1021/jm048982w
BindingDB Entry DOI: 10.7270/Q2Q24116
More data for this
Ligand-Target Pair
Class C beta-lactamase CMY-36


(Klebsiella pneumoniae)
BDBM50240480
PNG
((2S,3S)-3-({(2Z)-2-(2-ammonio-1,3-thiazol-4-yl)-2-...)
Show SMILES C[C@H]1[C@H](NC(=O)C(=N/OC(C)(C)C(O)=O)\c2csc(N)n2)C(=O)N1S(O)(=O)=O
Show InChI InChI=1S/C13H17N5O8S2/c1-5-7(10(20)18(5)28(23,24)25)16-9(19)8(6-4-27-12(14)15-6)17-26-13(2,3)11(21)22/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25)/b17-8-/t5-,7-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of Klebsiella pneumoniae HP205 cephalosporinase CMY-36 by UV spectrophotometer in presence of 100 uM of cephalothin


Antimicrob Agents Chemother 53: 1256-9 (2009)


Article DOI: 10.1128/AAC.01284-08
BindingDB Entry DOI: 10.7270/Q2V69JVP
More data for this
Ligand-Target Pair
Efflux transporter


(Salmonella newport)
BDBM50240480
PNG
((2S,3S)-3-({(2Z)-2-(2-ammonio-1,3-thiazol-4-yl)-2-...)
Show SMILES C[C@H]1[C@H](NC(=O)C(=N/OC(C)(C)C(O)=O)\c2csc(N)n2)C(=O)N1S(O)(=O)=O
Show InChI InChI=1S/C13H17N5O8S2/c1-5-7(10(20)18(5)28(23,24)25)16-9(19)8(6-4-27-12(14)15-6)17-26-13(2,3)11(21)22/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25)/b17-8-/t5-,7-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of Salmonella enterica serotype Newport AM17274 cephalosporinase CMY-31 by UV spectrophotometer in presence of 100 uM of cephalothin


Antimicrob Agents Chemother 53: 1256-9 (2009)


Article DOI: 10.1128/AAC.01284-08
BindingDB Entry DOI: 10.7270/Q2V69JVP
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli CTX-M-15


Antimicrob Agents Chemother 51: 3089-95 (2007)


Article DOI: 10.1128/AAC.00218-07
BindingDB Entry DOI: 10.7270/Q2BG2NR1
More data for this
Ligand-Target Pair
Gil1


(Citrobacter gillenii)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



H�pital de Bic�tre

Curated by ChEMBL


Assay Description
Inhibition of Citrobacter gillenii CIP 106783 Beta-lactamase GIL1 expressed in Escherichia coli DH10B


Antimicrob Agents Chemother 51: 1365-72 (2007)


Article DOI: 10.1128/AAC.01152-06
BindingDB Entry DOI: 10.7270/Q2S46SS7
More data for this
Ligand-Target Pair
Extended-spectrum beta-lactamase CTX-M-53


(Salmonella enterica subsp. enterica serovar Westha...)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Centre National de R£f£rence des Salmonella

Curated by ChEMBL


Assay Description
Inhibition of Salmonella enterica serotype Westhampton beta-lactamase CTX-M-53


Antimicrob Agents Chemother 53: 1944-51 (2009)


Article DOI: 10.1128/AAC.01581-08
BindingDB Entry DOI: 10.7270/Q2445MRF
More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli TEM-3 Beta-lactamase


J Med Chem 41: 3961-71 (1998)


Article DOI: 10.1021/jm980023c
BindingDB Entry DOI: 10.7270/Q2HT2NF0
More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli TEM-3 Beta-lactamase


J Med Chem 41: 3961-71 (1998)


Article DOI: 10.1021/jm980023c
BindingDB Entry DOI: 10.7270/Q2HT2NF0
More data for this
Ligand-Target Pair
Beta-lactamase SHV-55


(Klebsiella pneumoniae)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Klebsiella pneumoniae Beta-Lactamase SHV-55


Antimicrob Agents Chemother 52: 1897-8 (2008)


Article DOI: 10.1128/AAC.01525-07
BindingDB Entry DOI: 10.7270/Q2PV6KKC
More data for this
Ligand-Target Pair
SHV-1 beta-lactamase


(Klebsiella pneumoniae (Enterobacteria))
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 20.1n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Escherichia coli HA208 Class-III SHV-1 type beta-lactamase enzyme


Citation and Details
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Lek d.d.

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity towards Class A TEM-1 beta-lactamase from Escherichia coli at 0.3 umol


Bioorg Med Chem Lett 12: 971-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00061-6
BindingDB Entry DOI: 10.7270/Q2NC61S9
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 25.1n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Staphylococcus aureus CJ8 beta-lactamase enzyme


Citation and Details
More data for this
Ligand-Target Pair
SHV-1 beta-lactamase


(Klebsiella pneumoniae (Enterobacteria))
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 28n/an/an/an/an/an/a



Lek Pharmaceuticals d.d.

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli SHV1


J Med Chem 50: 4113-21 (2007)


Article DOI: 10.1021/jm0703237
BindingDB Entry DOI: 10.7270/Q2FF3T5F
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 29.5n/an/an/an/a7.037



NABRIVA THERAPEUTICS AG

US Patent


Assay Description
The inhibitory concentrations (IC50, [uM]) of the beta -lactamase inhibitors against purified TEM-1, SHV-1 and AmpC beta -lactamases are assessed by ...


US Patent US9120808 (2015)


BindingDB Entry DOI: 10.7270/Q2Q81BT5
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Lek Pharmaceuticals d.d.

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli TEM1


J Med Chem 50: 4113-21 (2007)


Article DOI: 10.1021/jm0703237
BindingDB Entry DOI: 10.7270/Q2FF3T5F
More data for this
Ligand-Target Pair
Beta-lactamase BRO-1


(Moraxella catarrhalis)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 30.1n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Branhamella catarrhalis 89001 Class-III BRO-1 type beta-lactamase enzyme


Citation and Details
More data for this
Ligand-Target Pair
Beta-lactamase


(Klebsiella oxytoca)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 30.1n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Klebsiella oxytoca HC7 Class-IV K1 type beta-lactamase enzyme


Citation and Details
More data for this
Ligand-Target Pair
Beta-lactamase (SHV-1)


(Escherichia coli)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 30.3n/an/an/an/a7.037



NABRIVA THERAPEUTICS AG

US Patent


Assay Description
The inhibitory concentrations (IC50, [uM]) of the beta -lactamase inhibitors against purified TEM-1, SHV-1 and AmpC beta -lactamases are assessed by ...


US Patent US9120808 (2015)


BindingDB Entry DOI: 10.7270/Q2Q81BT5
More data for this
Ligand-Target Pair
Beta-lactamase ACC-4


(Escherichia coli)
BDBM50240480
PNG
((2S,3S)-3-({(2Z)-2-(2-ammonio-1,3-thiazol-4-yl)-2-...)
Show SMILES C[C@H]1[C@H](NC(=O)C(=N/OC(C)(C)C(O)=O)\c2csc(N)n2)C(=O)N1S(O)(=O)=O
Show InChI InChI=1S/C13H17N5O8S2/c1-5-7(10(20)18(5)28(23,24)25)16-9(19)8(6-4-27-12(14)15-6)17-26-13(2,3)11(21)22/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25)/b17-8-/t5-,7-/m0/s1
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n/an/a 32n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli beta-lactamase ACC4


Antimicrob Agents Chemother 51: 3763-7 (2007)


Article DOI: 10.1128/AAC.00389-07
BindingDB Entry DOI: 10.7270/Q2222THB
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for beta-lactamase inhibition activity of Escherichia coli after 15 min of preincubation with the enzyme at 37 degree C


Bioorg Med Chem Lett 7: 2217-2222 (1997)


Article DOI: 10.1016/S0960-894X(97)00401-0
BindingDB Entry DOI: 10.7270/Q2M32VR6
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 40.2n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Escherichia coli HA58R Class-III TEM-1 type beta-lactamase enzyme


Citation and Details
More data for this
Ligand-Target Pair
AmpC


(Escherichia coli)
BDBM50240480
PNG
((2S,3S)-3-({(2Z)-2-(2-ammonio-1,3-thiazol-4-yl)-2-...)
Show SMILES C[C@H]1[C@H](NC(=O)C(=N/OC(C)(C)C(O)=O)\c2csc(N)n2)C(=O)N1S(O)(=O)=O
Show InChI InChI=1S/C13H17N5O8S2/c1-5-7(10(20)18(5)28(23,24)25)16-9(19)8(6-4-27-12(14)15-6)17-26-13(2,3)11(21)22/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25)/b17-8-/t5-,7-/m0/s1
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n/an/a 60n/an/an/an/an/an/a



Basilea Pharmaceutica International Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli ATCC 25922 AmpC


Antimicrob Agents Chemother 54: 2291-302 (2010)


Article DOI: 10.1128/AAC.01525-09
BindingDB Entry DOI: 10.7270/Q20P1071
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-Lactamase enzyme derived from Escherichia coli WC3310 TEM-2


Bioorg Med Chem Lett 5: 1513-1518 (1995)


Article DOI: 10.1016/0960-894X(95)00249-S
BindingDB Entry DOI: 10.7270/Q2ZW1MDG
More data for this
Ligand-Target Pair
Beta-lactamase


(Proteus mirabilis)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 65.3n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Proteus vulgaris HJ33C Class-I beta-lactamase enzyme


Citation and Details
More data for this
Ligand-Target Pair
Beta-lactamase SCO-1


(Escherichia coli)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 70n/an/an/an/an/an/a



Institut Pasteur Hellenique

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli beta-lactamase SCO1


Antimicrob Agents Chemother 51: 2185-8 (2007)


Article DOI: 10.1128/AAC.01439-06
BindingDB Entry DOI: 10.7270/Q2028SFP
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Penicillinase from Staphylococcus aureus TH-14 using piperacillin (40 uM) as a substrate


J Med Chem 30: 1469-74 (1987)


Article DOI: 10.1021/jm00391a032
BindingDB Entry DOI: 10.7270/Q28G8JQ0
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 80n/an/an/an/an/an/a



CHU Clermont-Ferrand

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DH5alpha beta-lactamase TEM-1


Antimicrob Agents Chemother 51: 4181-3 (2007)


Article DOI: 10.1128/AAC.00614-07
BindingDB Entry DOI: 10.7270/Q2H131TX
More data for this
Ligand-Target Pair
Beta-lactamase


(Bacillus clausii)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 85n/an/an/an/an/an/a



H�pital de Bic�tre

Curated by ChEMBL


Assay Description
Inhibition of Bacillus clausii NR beta-lactamase BCL1 expressed in Escherichia coli BL21 (DE3)


Antimicrob Agents Chemother 51: 4009-14 (2007)


Article DOI: 10.1128/AAC.00537-07
BindingDB Entry DOI: 10.7270/Q20R9QBS
More data for this
Ligand-Target Pair
Beta-lactamase class C


(Enterobacter cloacae)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Lek d.d.

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity towards Class C beta-lactamase from Enterobacter cloacae 908R at 0.8 umol concentration


Bioorg Med Chem Lett 12: 971-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00061-6
BindingDB Entry DOI: 10.7270/Q2NC61S9
More data for this
Ligand-Target Pair
Beta-lactamase GES-13


(Pseudomonas aeruginosa)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Hellenic Pasteur Institute

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa GES-13 beta lactamase


Antimicrob Agents Chemother 54: 1331-3 (2010)


Article DOI: 10.1128/AAC.01561-09
BindingDB Entry DOI: 10.7270/Q29C6XN5
More data for this
Ligand-Target Pair
SHV-1 beta-lactamase


(Klebsiella pneumoniae (Enterobacteria))
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 170n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Klebsiella pneumoniae Beta-Lactamase SHV-1


Antimicrob Agents Chemother 52: 1897-8 (2008)


Article DOI: 10.1128/AAC.01525-07
BindingDB Entry DOI: 10.7270/Q2PV6KKC
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 170n/an/an/an/an/an/a



Institut Pasteur Hellenique

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli K12 TEM1


Antimicrob Agents Chemother 51: 2185-8 (2007)


Article DOI: 10.1128/AAC.01439-06
BindingDB Entry DOI: 10.7270/Q2028SFP
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 87 total )  |  Next  |  Last  >>

Activity Spreadsheet -- ITC Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this search
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kJ/mole
-TΔS°
kJ/mole
ΔH°
kJ/mole
log KpHTemp
°C
Gcn5-related N-acetyltransferases (GNAT) superfamily protein PA4794 (PA4794)

(Pseudomonas aeruginosa)
BDBM50335523
JPEG
((6R,7R)-3-(acetoxymethyl)-7-(2-(2-aminothiazol-4-y...)
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-31.25.31-36.55.467.525



University of Virginia





J Biol Chem 288: 30223-35 (2013)

Gcn5-related N-acetyltransferases (GNAT) superfamily protein PA4794 (PA4794)

(Pseudomonas aeruginosa)
BDBM50335563
JPEG
((6R,7R)-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-(...)
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-24.731.1-55.74.327.525



University of Virginia





J Biol Chem 288: 30223-35 (2013)