BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 274 hits of ic50 for UniProtKB: P05364   
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
Beta-lactamase


(Enterobacter cloacae)
BDBM50089775
PNG
(CHEMBL287670 | Potassium; (4S,5R,6S)-6-((R)-1-hydr...)
Show SMILES COC1=C(N2C([C@@H]([C@@H](C)O)C2=O)[C@@H]1C)C([O-])=O |t:2|
Show InChI InChI=1S/C11H15NO5/c1-4-7-6(5(2)13)10(14)12(7)8(11(15)16)9(4)17-3/h4-7,13H,1-3H3,(H,15,16)/p-1/t4-,5+,6+,7?/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 0n/an/an/an/an/an/a



University of Munich

Curated by ChEMBL


Assay Description
Beta-Lactamase inhibition activity after 15 min of preincubation with the enzyme isolated from Enterobacter cloacae


Bioorg Med Chem Lett 10: 1389-91 (2000)

More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50089777
PNG
(CHEMBL27621 | Potassium; (5R,6S)-6-((R)-1-hydroxy-...)
Show SMILES COC1=C(N2[C@H](C1)[C@@H]([C@@H](C)O)C2=O)C([O-])=O |t:2|
Show InChI InChI=1S/C10H13NO5/c1-4(12)7-5-3-6(16-2)8(10(14)15)11(5)9(7)13/h4-5,7,12H,3H2,1-2H3,(H,14,15)/p-1/t4-,5-,7-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 0.00000100n/an/an/an/an/an/a



University of Munich

Curated by ChEMBL


Assay Description
Beta-Lactamase inhibition activity after 15 min of preincubation with the enzyme isolated from Enterobacter cloacae


Bioorg Med Chem Lett 10: 1389-91 (2000)

More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50089776
PNG
(CHEMBL283629 | Potassium; (4R,5R,6S)-6-((R)-1-hydr...)
Show SMILES COC1=C(N2C([C@@H]([C@@H](C)O)C2=O)[C@H]1C)C([O-])=O |t:2|
Show InChI InChI=1S/C11H15NO5/c1-4-7-6(5(2)13)10(14)12(7)8(11(15)16)9(4)17-3/h4-7,13H,1-3H3,(H,15,16)/p-1/t4-,5-,6-,7?/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 0.00000200n/an/an/an/an/an/a



University of Munich

Curated by ChEMBL


Assay Description
Beta-Lactamase inhibition activity after 15 min of preincubation with the enzyme isolated from Enterobacter cloacae


Bioorg Med Chem Lett 10: 1389-91 (2000)

More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50191379
PNG
((5R)(6Z)-6-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]-th...)
Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CSCCn2n1 |t:3|
Show InChI InChI=1S/C13H11N3O3S2/c17-11-9(12-16(11)10(6-21-12)13(18)19)4-7-3-8-5-20-2-1-15(8)14-7/h3-4,6,12H,1-2,5H2,(H,18,19)/p-1/b9-4-/t12-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Enterobacter cloacae AmpC


J Med Chem 49: 4623-37 (2006)


Article DOI: 10.1021/jm060021p
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50157688
PNG
((5R,6Z)-6-[(7-methylimidazo[2,1-b][1,3]-benzothiaz...)
Show SMILES Cc1ccc2c(c1)sc1nc(\C=C3/[C@H]4SC=C(N4C3=O)C(=O)O[Na])cn21 |r,c:16|
Show InChI InChI=1S/C17H11N3O3S2.Na/c1-8-2-3-11-13(4-8)25-17-18-9(6-19(11)17)5-10-14(21)20-12(16(22)23)7-24-15(10)20;/h2-7,15H,1H3,(H,22,23);/q;+1/p-1/b10-5-;/t15-;/m1./s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Enterobacter cloacae AmpC


J Med Chem 47: 6556-68 (2004)


Article DOI: 10.1021/jm049680x
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50157689
PNG
((5R,6Z)-6-(imidazo[2,1-b][1,3]benzothiazol-2-ylmet...)
Show SMILES [Na]OC(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cn2c(n1)sc1ccccc21 |r,t:4|
Show InChI InChI=1S/C16H9N3O3S2.Na/c20-13-9(14-19(13)11(7-23-14)15(21)22)5-8-6-18-10-3-1-2-4-12(10)24-16(18)17-8;/h1-7,14H,(H,21,22);/q;+1/p-1/b9-5-;/t14-;/m1./s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Enterobacter cloacae AmpC


J Med Chem 47: 6556-68 (2004)


Article DOI: 10.1021/jm049680x
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50149467
PNG
((5R,6Z)-6-(6,7-dihydro-5H-cyclopenta-[d]imidazo[2,...)
Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cn2c3CCCc3sc2n1 |t:3|
Show InChI InChI=1S/C15H11N3O3S2/c19-12-8(13-18(12)10(6-22-13)14(20)21)4-7-5-17-9-2-1-3-11(9)23-15(17)16-7/h4-6,13H,1-3H2,(H,20,21)/p-1/b8-4-/t13-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Enterobacter cloacae AmpC


J Med Chem 47: 6556-68 (2004)


Article DOI: 10.1021/jm049680x
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50191383
PNG
((5R),(6Z)-6-(5,6-dihydro-8H-imidazo[2,1-c]-[1,4]th...)
Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cn2CCSCc2n1 |t:3|
Show InChI InChI=1S/C13H11N3O3S2/c17-11-8(12-16(11)9(5-21-12)13(18)19)3-7-4-15-1-2-20-6-10(15)14-7/h3-5,12H,1-2,6H2,(H,18,19)/p-1/b8-3-/t12-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Enterobacter cloacae AmpC


J Med Chem 49: 4623-37 (2006)


Article DOI: 10.1021/jm060021p
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50191390
PNG
((5R),(6Z)-6-(5,5-dioxo-4,5,6,7-tetrahydro-5'6-pyra...)
Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CS(=O)(=O)CCn2n1 |t:3|
Show InChI InChI=1S/C13H11N3O5S2/c17-11-9(12-16(11)10(5-22-12)13(18)19)4-7-3-8-6-23(20,21)2-1-15(8)14-7/h3-5,12H,1-2,6H2,(H,18,19)/p-1/b9-4-/t12-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Enterobacter cloacae AmpC


J Med Chem 49: 4623-37 (2006)


Article DOI: 10.1021/jm060021p
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50157687
PNG
((5R,6Z)-6-[(5-methylimidazo[2,1-b][1,3]-benzothiaz...)
Show SMILES Cc1cccc2sc3nc(\C=C4/[C@H]5SC=C(N5C4=O)C(=O)O[Na])cn3c12 |r,c:14|
Show InChI InChI=1S/C17H11N3O3S2.Na/c1-8-3-2-4-12-13(8)19-6-9(18-17(19)25-12)5-10-14(21)20-11(16(22)23)7-24-15(10)20;/h2-7,15H,1H3,(H,22,23);/q;+1/p-1/b10-5-;/t15-;/m1./s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Enterobacter cloacae AmpC


J Med Chem 47: 6556-68 (2004)


Article DOI: 10.1021/jm049680x
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50157694
PNG
((5R,6Z)-6-[(7-fluoroimidazo[2,1-b][1,3]-benzothiaz...)
Show SMILES Fc1ccc2c(c1)sc1nc(\C=C3/[C@H]4SC=C(N4C3=O)C(=O)O[Na])cn21 |r,c:16|
Show InChI InChI=1S/C16H8FN3O3S2.Na/c17-7-1-2-10-12(3-7)25-16-18-8(5-19(10)16)4-9-13(21)20-11(15(22)23)6-24-14(9)20;/h1-6,14H,(H,22,23);/q;+1/p-1/b9-4-;/t14-;/m1./s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Enterobacter cloacae AmpC


J Med Chem 47: 6556-68 (2004)


Article DOI: 10.1021/jm049680x
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50157691
PNG
((5R,6Z)-6-[(7-methoxyimidazo[2,1-b][1,3]-benzothia...)
Show SMILES COc1ccc2c(c1)sc1nc(\C=C3/[C@H]4SC=C(N4C3=O)C(=O)O[Na])cn21 |r,c:17|
Show InChI InChI=1S/C17H11N3O4S2.Na/c1-24-9-2-3-11-13(5-9)26-17-18-8(6-19(11)17)4-10-14(21)20-12(16(22)23)7-25-15(10)20;/h2-7,15H,1H3,(H,22,23);/q;+1/p-1/b10-4-;/t15-;/m1./s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Enterobacter cloacae AmpC


J Med Chem 47: 6556-68 (2004)


Article DOI: 10.1021/jm049680x
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50114512
PNG
(CHEMBL45136 | Sodium; (R)-3-bromo-5,5,8-trioxo-7-[...)
Show SMILES [O-]C(=O)C1=C(Br)CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1 |c:3|
Show InChI InChI=1S/C13H9BrN2O5S/c14-9-6-22(20,21)12-8(5-7-3-1-2-4-15-7)11(17)16(12)10(9)13(18)19/h1-5,12H,6H2,(H,18,19)/p-1/b8-5-/t12-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.90n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against Class C beta-lactamase


Bioorg Med Chem Lett 12: 1663-6 (2002)

More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50157693
PNG
((5R,6Z)-6-[(7-chloroimidazo[2,1-b][1,3]-benzothiaz...)
Show SMILES [Na]OC(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cn2c(n1)sc1cc(Cl)ccc21 |r,t:4|
Show InChI InChI=1S/C16H8ClN3O3S2.Na/c17-7-1-2-10-12(3-7)25-16-18-8(5-19(10)16)4-9-13(21)20-11(15(22)23)6-24-14(9)20;/h1-6,14H,(H,22,23);/q;+1/p-1/b9-4-;/t14-;/m1./s1
PDB
MMDB

UniProtKB/SwissProt

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



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Enterobacter cloacae AmpC


J Med Chem 47: 6556-68 (2004)


Article DOI: 10.1021/jm049680x
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50114505
PNG
(CHEMBL295625 | Sodium; (R)-3-chloro-5,5,8-trioxo-7...)
Show SMILES [O-]C(=O)C1=C(Cl)CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1 |c:3|
Show InChI InChI=1S/C13H9ClN2O5S/c14-9-6-22(20,21)12-8(5-7-3-1-2-4-15-7)11(17)16(12)10(9)13(18)19/h1-5,12H,6H2,(H,18,19)/p-1/b8-5-/t12-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against Class C beta-lactamase


Bioorg Med Chem Lett 12: 1663-6 (2002)

More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50191386
PNG
((5R)(6Z)-7-oxo-6-(4,5,6,7-tetrahydropyrazolo-[1,5-...)
Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CCCCn2n1 |t:3|
Show InChI InChI=1S/C14H13N3O3S/c18-12-10(13-17(12)11(7-21-13)14(19)20)6-8-5-9-3-1-2-4-16(9)15-8/h5-7,13H,1-4H2,(H,19,20)/p-1/b10-6-/t13-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Enterobacter cloacae AmpC


J Med Chem 49: 4623-37 (2006)


Article DOI: 10.1021/jm060021p
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50191377
PNG
((5R),(6Z)-7-oxo-6-(4,5,6,7-tetrahydropyrazolo[1,5-...)
Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CNCCn2n1 |t:3|
Show InChI InChI=1S/C13H12N4O3S/c18-11-9(12-17(11)10(6-21-12)13(19)20)4-7-3-8-5-14-1-2-16(8)15-7/h3-4,6,12,14H,1-2,5H2,(H,19,20)/p-1/b9-4-/t12-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Enterobacter cloacae AmpC


J Med Chem 49: 4623-37 (2006)


Article DOI: 10.1021/jm060021p
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50290040
PNG
(CHEMBL67925 | Potassium; (5R,6S)-3-tert-butyl-6-((...)
Show SMILES C[C@@H](O)[C@@H]1[C@@H]2N(C1=O)C(C([O-])=O)=C(C(C)(C)C)S2(=O)=O |t:12|
Show InChI InChI=1S/C12H17NO6S/c1-5(14)6-9(15)13-7(11(16)17)8(12(2,3)4)20(18,19)10(6)13/h5-6,10,14H,1-4H3,(H,16,17)/p-1/t5-,6+,10-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for beta-lactamase inhibition activity of Enterobacter cloacae 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
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50191389
PNG
(6-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-ylmethylene...)
Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CN(CCc2s1)c1cc2COCCc2s1 |t:3|
Show InChI InChI=1S/C21H18N2O4S3/c24-19-14(20-23(19)15(10-28-20)21(25)26)7-13-5-11-8-22(3-1-16(11)29-13)18-6-12-9-27-4-2-17(12)30-18/h5-7,10,20H,1-4,8-9H2,(H,25,26)/p-1/b14-7-/t20-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Enterobacter cloacae AmpC


J Med Chem 49: 4623-37 (2006)


Article DOI: 10.1021/jm060021p
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50114504
PNG
(CHEMBL45084 | Sodium; (R)-3-iodo-5,5,8-trioxo-7-[1...)
Show SMILES [O-]C(=O)C1=C(I)CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1 |c:3|
Show InChI InChI=1S/C13H9IN2O5S/c14-9-6-22(20,21)12-8(5-7-3-1-2-4-15-7)11(17)16(12)10(9)13(18)19/h1-5,12H,6H2,(H,18,19)/p-1/b8-5-/t12-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 4.70n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against Class C beta-lactamase


Bioorg Med Chem Lett 12: 1663-6 (2002)

More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50191388
PNG
((5R)(6Z)-6-(6,7-5H-dihydropyrazolo[5,1-b]-oxazin-2...)
Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2OCCCn2n1 |t:3|
Show InChI InChI=1S/C13H11N3O4S/c17-11-8(12-16(11)9(6-21-12)13(18)19)4-7-5-10-15(14-7)2-1-3-20-10/h4-6,12H,1-3H2,(H,18,19)/p-1/b8-4-/t12-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Enterobacter cloacae AmpC


J Med Chem 49: 4623-37 (2006)


Article DOI: 10.1021/jm060021p
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50191378
PNG
(CHEMBL212163 | sodium (R,E)-6-((6,8-dihydro-5H-imi...)
Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C/c1cn2CCOCc2n1 |t:3|
Show InChI InChI=1S/C13H11N3O4S/c17-11-8(12-16(11)9(6-21-12)13(18)19)3-7-4-15-1-2-20-5-10(15)14-7/h3-4,6,12H,1-2,5H2,(H,18,19)/p-1/b8-3+/t12-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Enterobacter cloacae AmpC


J Med Chem 49: 4623-37 (2006)


Article DOI: 10.1021/jm060021p
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50114514
PNG
(CHEMBL44932 | Sodium; (R)-3-[(E)-2-(2-guanidino-et...)
Show SMILES NC(=N)NCCNC(=O)C=CC1=C(N2[C@@H](C(=Cc3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |w:9.8,16.16,t:11|
Show InChI InChI=1S/C19H20N6O6S/c20-19(21)24-8-7-23-14(26)5-4-11-10-32(30,31)17-13(9-12-3-1-2-6-22-12)16(27)25(17)15(11)18(28)29/h1-6,9,17H,7-8,10H2,(H,23,26)(H,28,29)(H4,20,21,24)/p-1/t17-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 5.5n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against Class C beta-lactamase


Bioorg Med Chem Lett 12: 1663-6 (2002)

More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50191385
PNG
((5R,6Z)-6-(6,7-dihydro-4H-pyrazolo[5,1-c]-[1,4]oxa...)
Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2COCCn2n1 |t:3|
Show InChI InChI=1S/C13H11N3O4S/c17-11-9(12-16(11)10(6-21-12)13(18)19)4-7-3-8-5-20-2-1-15(8)14-7/h3-4,6,12H,1-2,5H2,(H,18,19)/p-1/b9-4-/t12-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Enterobacter cloacae AmpC


J Med Chem 49: 4623-37 (2006)


Article DOI: 10.1021/jm060021p
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50191380
PNG
(CHEMBL379440 | sodium (R,E)-7-oxo-6-((5,6,7,8-tetr...)
Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C/c1cn2CCNCc2n1 |t:3|
Show InChI InChI=1S/C13H12N4O3S/c18-11-8(12-17(11)9(6-21-12)13(19)20)3-7-5-16-2-1-14-4-10(16)15-7/h3,5-6,12,14H,1-2,4H2,(H,19,20)/p-1/b8-3+/t12-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Enterobacter cloacae AmpC


J Med Chem 49: 4623-37 (2006)


Article DOI: 10.1021/jm060021p
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50191387
PNG
((5R),(6Z)-6-(7-methyl-5,6,7,8-tetrahydroimidazo[1,...)
Show SMILES CN1CCn2cc(\C=C3/[C@H]4SC=C(N4C3=O)C([O-])=O)nc2C1 |c:11|
Show InChI InChI=1S/C14H14N4O3S/c1-16-2-3-17-5-8(15-11(17)6-16)4-9-12(19)18-10(14(20)21)7-22-13(9)18/h4-5,7,13H,2-3,6H2,1H3,(H,20,21)/p-1/b9-4-/t13-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Enterobacter cloacae AmpC


J Med Chem 49: 4623-37 (2006)


Article DOI: 10.1021/jm060021p
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50114503
PNG
(CHEMBL46478 | Sodium; (R)-3-fluoro-5,5,8-trioxo-7-...)
Show SMILES [O-]C(=O)C1=C(F)CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1 |c:3|
Show InChI InChI=1S/C13H9FN2O5S/c14-9-6-22(20,21)12-8(5-7-3-1-2-4-15-7)11(17)16(12)10(9)13(18)19/h1-5,12H,6H2,(H,18,19)/p-1/b8-5-/t12-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 11n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against Class C beta-lactamase


Bioorg Med Chem Lett 12: 1663-6 (2002)

More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50067069
PNG
(CHEMBL128220 | sodium salt-Sulfuric acid mono-[2-(...)
Show SMILES NC(=O)c1ccc(NC(=O)N2CCC3C2C(=O)N3OS([O-])(=O)=O)cc1
Show InChI InChI=1S/C13H14N4O7S/c14-11(18)7-1-3-8(4-2-7)15-13(20)16-6-5-9-10(16)12(19)17(9)24-25(21,22)23/h1-4,9-10H,5-6H2,(H2,14,18)(H,15,20)(H,21,22,23)/p-1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of beta-lactamase of Citrobacter freundii 1982 (class C)


J Med Chem 41: 3972-5 (1998)


Article DOI: 10.1021/jm9800245
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50067069
PNG
(CHEMBL128220 | sodium salt-Sulfuric acid mono-[2-(...)
Show SMILES NC(=O)c1ccc(NC(=O)N2CCC3C2C(=O)N3OS([O-])(=O)=O)cc1
Show InChI InChI=1S/C13H14N4O7S/c14-11(18)7-1-3-8(4-2-7)15-13(20)16-6-5-9-10(16)12(19)17(9)24-25(21,22)23/h1-4,9-10H,5-6H2,(H2,14,18)(H,15,20)(H,21,22,23)/p-1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of beta-lactamase of Citrobacter freundii 1982 (class C)


J Med Chem 41: 3972-5 (1998)


Article DOI: 10.1021/jm9800245
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50191381
PNG
((5R,6Z)-6-{[5-(4-methoxybenzyl)-4,5,6,7-tetrahydro...)
Show SMILES COc1ccc(CN2CCc3sc(\C=C4/[C@H]5SC=C(N5C4=O)C([O-])=O)cc3C2)cc1 |c:17|
Show InChI InChI=1S/C22H20N2O4S2/c1-28-15-4-2-13(3-5-15)10-23-7-6-19-14(11-23)8-16(30-19)9-17-20(25)24-18(22(26)27)12-29-21(17)24/h2-5,8-9,12,21H,6-7,10-11H2,1H3,(H,26,27)/p-1/b17-9-/t21-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Enterobacter cloacae AmpC


J Med Chem 49: 4623-37 (2006)


Article DOI: 10.1021/jm060021p
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50191382
PNG
((5R,6Z)-7-oxo-6-{[5-(pyridin-3-ylmethyl)-4,5,6,7-t...)
Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CN(Cc3cccnc3)CCc2s1 |t:3|
Show InChI InChI=1S/C20H17N3O3S2/c24-18-15(19-23(18)16(11-27-19)20(25)26)7-14-6-13-10-22(5-3-17(13)28-14)9-12-2-1-4-21-8-12/h1-2,4,6-8,11,19H,3,5,9-10H2,(H,25,26)/p-1/b15-7-/t19-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Enterobacter cloacae AmpC


J Med Chem 49: 4623-37 (2006)


Article DOI: 10.1021/jm060021p
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50347189
PNG
(CHEMBL1795572)
Show SMILES CO\N=C(\C(=O)NCP(O)(=O)Oc1ccc(C#N)c(F)c1)c1ccc(Cl)s1
Show InChI InChI=1S/C15H12ClFN3O5PS/c1-24-20-14(12-4-5-13(16)27-12)15(21)19-8-26(22,23)25-10-3-2-9(7-18)11(17)6-10/h2-6H,8H2,1H3,(H,19,21)(H,22,23)/b20-14+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of Enterobacter cloacae beta lactamase P99


Bioorg Med Chem Lett 21: 4363-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.122
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50129566
PNG
((2S,5R,6R)-2'-(tert-Butyl-dimethyl-silanyl-oxy)-3,...)
Show SMILES CC(C)(C)[Si](C)(C)O[C@H]1C[C@@]11[C@@H]2N([C@@H](C(O)=O)C(C)(C)S2(=O)=O)C1=O
Show InChI InChI=1S/C16H27NO6SSi/c1-14(2,3)25(6,7)23-9-8-16(9)12(20)17-10(11(18)19)15(4,5)24(21,22)13(16)17/h9-10,13H,8H2,1-7H3,(H,18,19)/t9-,10-,13+,16+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Beta-lactamase AmpC of class C enzyme


J Med Chem 46: 2569-71 (2003)


Article DOI: 10.1021/jm034056q
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50067070
PNG
(CHEMBL355579 | sodium salt -tert-butyl 7-oxo-6-(su...)
Show SMILES CC(C)(C)OC(=O)N1CCC2C1C(=O)N2OS([O-])(=O)=O
Show InChI InChI=1S/C10H16N2O7S/c1-10(2,3)18-9(14)11-5-4-6-7(11)8(13)12(6)19-20(15,16)17/h6-7H,4-5H2,1-3H3,(H,15,16,17)/p-1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of beta-lactamase of Citrobacter freundii 1982 (class C)


J Med Chem 41: 3972-5 (1998)


Article DOI: 10.1021/jm9800245
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50114501
PNG
(CHEMBL289979 | Sodium; (R)-3-((E)-2-carbamoyl-viny...)
Show SMILES NC(=O)\C=C\C1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
Show InChI InChI=1S/C16H13N3O6S/c17-12(20)5-4-9-8-26(24,25)15-11(7-10-3-1-2-6-18-10)14(21)19(15)13(9)16(22)23/h1-7,15H,8H2,(H2,17,20)(H,22,23)/p-1/b5-4+,11-7-/t15-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 22n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against Class C beta-lactamase


Bioorg Med Chem Lett 12: 1663-6 (2002)

More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50114521
PNG
(CHEMBL42528 | Sodium; (R)-5,5,8-trioxo-3-phenylsul...)
Show SMILES [O-]C(=O)C1=C(CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1)Sc1ccccc1 |t:3|
Show InChI InChI=1S/C19H14N2O5S2/c22-17-14(10-12-6-4-5-9-20-12)18-21(17)16(19(23)24)15(11-28(18,25)26)27-13-7-2-1-3-8-13/h1-10,18H,11H2,(H,23,24)/p-1/b14-10-/t18-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 22n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against Class C beta-lactamase


Bioorg Med Chem Lett 12: 1663-6 (2002)

More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50033701
PNG
(CHEMBL268632 | Sodium; (R)-3-acetoxymethyl-5,5,8-t...)
Show SMILES CC(=O)OCC1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
Show InChI InChI=1S/C16H14N2O7S/c1-9(19)25-7-10-8-26(23,24)15-12(6-11-4-2-3-5-17-11)14(20)18(15)13(10)16(21)22/h2-6,15H,7-8H2,1H3,(H,21,22)/p-1/b12-6-/t15-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 25n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit beta-lactamase was measured on Enterobacter cloacae P99


J Med Chem 38: 1022-34 (1995)

More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50033701
PNG
(CHEMBL268632 | Sodium; (R)-3-acetoxymethyl-5,5,8-t...)
Show SMILES CC(=O)OCC1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
Show InChI InChI=1S/C16H14N2O7S/c1-9(19)25-7-10-8-26(23,24)15-12(6-11-4-2-3-5-17-11)14(20)18(15)13(10)16(21)22/h2-6,15H,7-8H2,1H3,(H,21,22)/p-1/b12-6-/t15-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 25n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit beta-lactamase was measured on E. cloacae SC 12368


J Med Chem 38: 1022-34 (1995)

More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50284783
PNG
(CHEMBL37794 | Sodium; (R)-3-acetoxymethyl-7-methyl...)
Show SMILES CC(=O)OCC1=C(N2[C@@H](C(=C)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
Show InChI InChI=1S/C11H11NO7S/c1-5-9(14)12-8(11(15)16)7(3-19-6(2)13)4-20(17,18)10(5)12/h10H,1,3-4H2,2H3,(H,15,16)/p-1/t10-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 25n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-Lactamase enzyme derived from Enterobacter cloacae SC 12368 E-2


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


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


(Enterobacter cloacae)
BDBM50284783
PNG
(CHEMBL37794 | Sodium; (R)-3-acetoxymethyl-7-methyl...)
Show SMILES CC(=O)OCC1=C(N2[C@@H](C(=C)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
Show InChI InChI=1S/C11H11NO7S/c1-5-9(14)12-8(11(15)16)7(3-19-6(2)13)4-20(17,18)10(5)12/h10H,1,3-4H2,2H3,(H,15,16)/p-1/t10-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 25n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-Lactamase enzyme derived from Enterobacter cloacae P99


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


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


(Enterobacter cloacae)
BDBM50067069
PNG
(CHEMBL128220 | sodium salt-Sulfuric acid mono-[2-(...)
Show SMILES NC(=O)c1ccc(NC(=O)N2CCC3C2C(=O)N3OS([O-])(=O)=O)cc1
Show InChI InChI=1S/C13H14N4O7S/c14-11(18)7-1-3-8(4-2-7)15-13(20)16-6-5-9-10(16)12(19)17(9)24-25(21,22)23/h1-4,9-10H,5-6H2,(H2,14,18)(H,15,20)(H,21,22,23)/p-1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 26n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of beta-lactamase of Pseudomonas aeruginosa 18 SH (class C)


J Med Chem 41: 3972-5 (1998)


Article DOI: 10.1021/jm9800245
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50067070
PNG
(CHEMBL355579 | sodium salt -tert-butyl 7-oxo-6-(su...)
Show SMILES CC(C)(C)OC(=O)N1CCC2C1C(=O)N2OS([O-])(=O)=O
Show InChI InChI=1S/C10H16N2O7S/c1-10(2,3)18-9(14)11-5-4-6-7(11)8(13)12(6)19-20(15,16)17/h6-7H,4-5H2,1-3H3,(H,15,16,17)/p-1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 28n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of beta-lactamase of Pseudomonas aeruginosa 18 SH (class C)


J Med Chem 41: 3972-5 (1998)


Article DOI: 10.1021/jm9800245
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50129564
PNG
((2S,5R,6R)-2'-(cyclohexyloxy)-3,3-dimethyl-7-oxo-4...)
Show SMILES CC1(C)[C@@H](N2[C@@H]([C@@]3(C[C@@H]3OC3CCCCC3)C2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C16H23NO6S/c1-15(2)11(12(18)19)17-13(20)16(14(17)24(15,21)22)8-10(16)23-9-6-4-3-5-7-9/h9-11,14H,3-8H2,1-2H3,(H,18,19)/t10-,11-,14+,16+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Beta-lactamase AmpC of class C enzyme


J Med Chem 46: 2569-71 (2003)


Article DOI: 10.1021/jm034056q
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50114508
PNG
(CHEMBL46958 | Disodium; (R)-3-carboxy-5,5,8-trioxo...)
Show SMILES [O-]C(=O)C1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:3|
Show InChI InChI=1S/C14H10N2O7S/c17-11-8(5-7-3-1-2-4-15-7)12-16(11)10(14(20)21)9(13(18)19)6-24(12,22)23/h1-5,12H,6H2,(H,18,19)(H,20,21)/p-2/b8-5-/t12-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 32n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against Class C beta-lactamase


Bioorg Med Chem Lett 12: 1663-6 (2002)

More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50347184
PNG
(CHEMBL1795567)
Show SMILES CO\N=C(\C(=O)NCP(O)(=O)Oc1ccc(C#N)c(F)c1)c1cccs1
Show InChI InChI=1S/C15H13FN3O5PS/c1-23-19-14(13-3-2-6-26-13)15(20)18-9-25(21,22)24-11-5-4-10(8-17)12(16)7-11/h2-7H,9H2,1H3,(H,18,20)(H,21,22)/b19-14+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 32n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of Enterobacter cloacae beta lactamase P99


Bioorg Med Chem Lett 21: 4363-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.122
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50114506
PNG
(CHEMBL44278 | Sodium; (R)-3-[(E)-2-(4-hydroxy-phen...)
Show SMILES Oc1ccc(NC(=O)\C=C\C2=C(N3[C@@H](\C(=C/c4ccccn4)C3=O)S(=O)(=O)C2)C([O-])=O)cc1 |t:10|
Show InChI InChI=1S/C22H17N3O7S/c26-16-7-5-14(6-8-16)24-18(27)9-4-13-12-33(31,32)21-17(11-15-3-1-2-10-23-15)20(28)25(21)19(13)22(29)30/h1-11,21,26H,12H2,(H,24,27)(H,29,30)/p-1/b9-4+,17-11-/t21-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 35n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against Class C beta-lactamase


Bioorg Med Chem Lett 12: 1663-6 (2002)

More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50114525
PNG
(CHEMBL296738 | Sodium; (R)-5,5,8-trioxo-3-phenyl-7...)
Show SMILES [O-]C(=O)C1=C(CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1)c1ccccc1 |t:3|
Show InChI InChI=1S/C19H14N2O5S/c22-17-14(10-13-8-4-5-9-20-13)18-21(17)16(19(23)24)15(11-27(18,25)26)12-6-2-1-3-7-12/h1-10,18H,11H2,(H,23,24)/p-1/b14-10-/t18-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 38n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against Class C beta-lactamase


Bioorg Med Chem Lett 12: 1663-6 (2002)

More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50347182
PNG
(CHEMBL1795565)
Show SMILES CON=C(C(=O)NCP(O)(=O)Oc1ccc(C#N)c(F)c1)c1cccs1 |w:2.1|
Show InChI InChI=1S/C15H13FN3O5PS/c1-23-19-14(13-3-2-6-26-13)15(20)18-9-25(21,22)24-11-5-4-10(8-17)12(16)7-11/h2-7H,9H2,1H3,(H,18,20)(H,21,22)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 39n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of Enterobacter cloacae beta lactamase P99


Bioorg Med Chem Lett 21: 4363-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.122
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50114523
PNG
(CHEMBL45273 | Sodium; (R)-5,5,8-trioxo-7-[1-pyridi...)
Show SMILES [O-]C(=O)C1=C(CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1)c1cccs1 |t:3|
Show InChI InChI=1S/C17H12N2O5S2/c20-15-11(8-10-4-1-2-6-18-10)16-19(15)14(17(21)22)12(9-26(16,23)24)13-5-3-7-25-13/h1-8,16H,9H2,(H,21,22)/p-1/b11-8-/t16-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 40n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against Class C beta-lactamase


Bioorg Med Chem Lett 12: 1663-6 (2002)

More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50284789
PNG
((2S,5R,6Z)-6-(carboxymethylene)-3,3-dimethyl-7-oxo...)
Show SMILES CC1(C)[C@@H](N2[C@@H](\C(=C/C([O-])=O)C2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C10H11NO7S/c1-10(2)6(9(15)16)11-7(14)4(3-5(12)13)8(11)19(10,17)18/h3,6,8H,1-2H3,(H,12,13)(H,15,16)/p-2/b4-3-/t6-,8+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 45n/an/an/an/an/an/a



TBA

Curated by ChEMBL




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


Article DOI: 10.1016/0960-894X(95)00249-S
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 274 total )  |  Next  |  Last  >>
Jump to: