BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 25 hits Enz. Inhib. hit(s) with Target = 'Beta-lactamase' AND taxid = 546   
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


(Citrobacter freundii)
BDBM50212638
PNG
(CHEMBL302512)
Show SMILES Cn1nnnc1SC[C@@]1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C10H13N5O5S2/c1-10(4-21-9-11-12-13-14(9)2)7(8(17)18)15-5(16)3-6(15)22(10,19)20/h6-7H,3-4H2,1-2H3,(H,17,18)/t6-,7+,10+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 37.4n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Citrobacter freundii 87470 Class-I beta-lactamase enzyme


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


(Citrobacter freundii)
BDBM50212640
PNG
(CHEMBL423309)
Show SMILES Cn1cnnc1SC[C@@]1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C11H14N4O5S2/c1-11(4-21-10-13-12-5-14(10)2)8(9(17)18)15-6(16)3-7(15)22(11,19)20/h5,7-8H,3-4H2,1-2H3,(H,17,18)/t7-,8+,11+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 115n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Citrobacter freundii 87470 Class-I beta-lactamase enzyme


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


(Citrobacter freundii)
BDBM50212634
PNG
(CHEMBL309009)
Show SMILES C[C@]1(CSc2nc3ccccc3o2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C15H14N2O6S2/c1-15(7-24-14-16-8-4-2-3-5-9(8)23-14)12(13(19)20)17-10(18)6-11(17)25(15,21)22/h2-5,11-12H,6-7H2,1H3,(H,19,20)/t11-,12+,15+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 130n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Citrobacter freundii 87470 Class-I beta-lactamase enzyme


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


(Citrobacter freundii)
BDBM50053173
PNG
((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...)
Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

n/an/a 166n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Citrobacter freundii 87470 Class-I beta-lactamase enzyme


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


(Citrobacter freundii)
BDBM50076680
PNG
(CHEMBL6461 | Ro-48-1220 | Sodium; (2S,3R,5R)-3-((Z...)
Show SMILES C[C@]1(\C=C\C#N)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C10H10N2O5S/c1-10(3-2-4-11)8(9(14)15)12-6(13)5-7(12)18(10,16)17/h2-3,7-8H,5H2,1H3,(H,14,15)/p-1/b3-2+/t7-,8+,10+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 210n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Beta-lactamase from Morganell morgani U1627


J Med Chem 39: 3712-22 (1996)


Article DOI: 10.1021/jm9601967
BindingDB Entry DOI: 10.7270/Q2ZK5H99
More data for this
Ligand-Target Pair
Beta-lactamase


(Citrobacter freundii)
BDBM50076680
PNG
(CHEMBL6461 | Ro-48-1220 | Sodium; (2S,3R,5R)-3-((Z...)
Show SMILES C[C@]1(\C=C\C#N)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C10H10N2O5S/c1-10(3-2-4-11)8(9(14)15)12-6(13)5-7(12)18(10,16)17/h2-3,7-8H,5H2,1H3,(H,14,15)/p-1/b3-2+/t7-,8+,10+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 210n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Beta-lactamase from Citrobacter freundii 1982


J Med Chem 39: 3712-22 (1996)


Article DOI: 10.1021/jm9601967
BindingDB Entry DOI: 10.7270/Q2ZK5H99
More data for this
Ligand-Target Pair
Beta-lactamase


(Citrobacter freundii)
BDBM50053181
PNG
((2S,3S,5R)-3-((Z)-2-Ethoxycarbonyl-vinyl)-3-methyl...)
Show SMILES CCOC(=O)\C=C/[C@@]1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C12H15NO7S/c1-3-20-9(15)4-5-12(2)10(11(16)17)13-7(14)6-8(13)21(12,18)19/h4-5,8,10H,3,6H2,1-2H3,(H,16,17)/b5-4-/t8-,10+,12+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 370n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Citrobacter freundii 1928, class C of Beta-lactamase


J Med Chem 39: 3712-22 (1996)


Article DOI: 10.1021/jm9601967
BindingDB Entry DOI: 10.7270/Q2ZK5H99
More data for this
Ligand-Target Pair
Beta-lactamase


(Citrobacter freundii)
BDBM50053180
PNG
(CHEMBL332565 | Sodium; (2S,3S,5R)-3-methyl-4,4,7-t...)
Show SMILES C[C@]1(\C=C/c2cncs2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C12H12N2O5S2/c1-12(3-2-7-5-13-6-20-7)10(11(16)17)14-8(15)4-9(14)21(12,18)19/h2-3,5-6,9-10H,4H2,1H3,(H,16,17)/p-1/b3-2-/t9-,10+,12+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 410n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Citrobacter freundii 1928, class C of Beta-lactamase


J Med Chem 39: 3712-22 (1996)


Article DOI: 10.1021/jm9601967
BindingDB Entry DOI: 10.7270/Q2ZK5H99
More data for this
Ligand-Target Pair
Beta-lactamase


(Citrobacter freundii)
BDBM50212637
PNG
(CHEMBL72046)
Show SMILES C[C@]1(CSC2=NCCS2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C11H14N2O5S3/c1-11(5-20-10-12-2-3-19-10)8(9(15)16)13-6(14)4-7(13)21(11,17)18/h7-8H,2-5H2,1H3,(H,15,16)/t7-,8+,11+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 456n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Citrobacter freundii 87470 Class-I beta-lactamase enzyme


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


(Citrobacter freundii)
BDBM50212639
PNG
(CHEMBL302241)
Show SMILES Cn1ccnc1SC[C@@]1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C12H15N3O5S2/c1-12(6-21-11-13-3-4-14(11)2)9(10(17)18)15-7(16)5-8(15)22(12,19)20/h3-4,8-9H,5-6H2,1-2H3,(H,17,18)/t8-,9+,12+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 463n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Citrobacter freundii 87470 Class-I beta-lactamase enzyme


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


(Citrobacter freundii)
BDBM50212646
PNG
(CHEMBL72972)
Show SMILES C[C@]1(CSc2nc3ccccc3[nH]2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C15H15N3O5S2/c1-15(7-24-14-16-8-4-2-3-5-9(8)17-14)12(13(20)21)18-10(19)6-11(18)25(15,22)23/h2-5,11-12H,6-7H2,1H3,(H,16,17)(H,20,21)/t11-,12+,15+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 524n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Citrobacter freundii 87470 Class-I beta-lactamase enzyme


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


(Citrobacter freundii)
BDBM50021954
PNG
((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...)
Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

n/an/a 857n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Citrobacter freundii 87470 Class-I beta-lactamase enzyme


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


(Citrobacter freundii)
BDBM50053173
PNG
((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...)
Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 930n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Beta-lactamase from Citrobacter freundii 1982


J Med Chem 39: 3712-22 (1996)


Article DOI: 10.1021/jm9601967
BindingDB Entry DOI: 10.7270/Q2ZK5H99
More data for this
Ligand-Target Pair
Beta-lactamase


(Citrobacter freundii)
BDBM50053179
PNG
(CHEMBL121924 | Sodium; (2S,3S,5R)-3-methyl-4,4,7-t...)
Show SMILES C[C@]1(\C=C/c2ccccn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C14H14N2O5S/c1-14(6-5-9-4-2-3-7-15-9)12(13(18)19)16-10(17)8-11(16)22(14,20)21/h2-7,11-12H,8H2,1H3,(H,18,19)/p-1/b6-5-/t11-,12+,14+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Citrobacter freundii 1928, class C of Beta-lactamase


J Med Chem 39: 3712-22 (1996)


Article DOI: 10.1021/jm9601967
BindingDB Entry DOI: 10.7270/Q2ZK5H99
More data for this
Ligand-Target Pair
Beta-lactamase


(Citrobacter freundii)
BDBM50053175
PNG
((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-((E)-2-thiazol-...)
Show SMILES C[C@]1(\C=C\c2cncs2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C12H12N2O5S2/c1-12(3-2-7-5-13-6-20-7)10(11(16)17)14-8(15)4-9(14)21(12,18)19/h2-3,5-6,9-10H,4H2,1H3,(H,16,17)/b3-2+/t9-,10+,12+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Citrobacter freundii 1928, class C of Beta-lactamase


J Med Chem 39: 3712-22 (1996)


Article DOI: 10.1021/jm9601967
BindingDB Entry DOI: 10.7270/Q2ZK5H99
More data for this
Ligand-Target Pair
Beta-lactamase


(Citrobacter freundii)
BDBM50212641
PNG
(BROBACTAM | Brobactam)
Show SMILES CC1(C)S[C@@H]2[C@H](Br)C(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C8H10BrNO3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,1-2H3,(H,12,13)/t3-,4+,6-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 1.78E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Citrobacter freundii 87470 Class-I beta-lactamase enzyme


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


(Citrobacter freundii)
BDBM50327179
PNG
((S)-3-(2-(2-aminothiazol-4-yl)-2-((1,5-dihydroxy-4...)
Show SMILES CC1(C)[C@H](NC(=O)C(=N/OCc2cc(=O)c(O)cn2O)\c2csc(N)n2)C(=O)N1OS(O)(=O)=O
Show InChI InChI=1S/C16H18N6O10S2/c1-16(2)12(14(26)22(16)32-34(28,29)30)19-13(25)11(8-6-33-15(17)18-8)20-31-5-7-3-9(23)10(24)4-21(7)27/h3-4,6,12,24,27H,5H2,1-2H3,(H2,17,18)(H,19,25)(H,28,29,30)/b20-11-/t12-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 2.70E+3n/an/an/an/an/an/a



Basilea Pharmaceutica International Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Citrobacter freundii 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


(Citrobacter freundii)
BDBM50212643
PNG
(CHEMBL308516)
Show SMILES C[C@@]1(CSc2nc3ccccc3s2)S[C@@H]2[C@H](Br)C(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C15H13BrN2O3S3/c1-15(6-22-14-17-7-4-2-3-5-8(7)23-14)10(13(20)21)18-11(19)9(16)12(18)24-15/h2-5,9-10,12H,6H2,1H3,(H,20,21)/t9-,10+,12-,15+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 5.61E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Citrobacter freundii 87470 Class-I beta-lactamase enzyme


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


(Citrobacter freundii)
BDBM50212645
PNG
(CHEMBL305908)
Show SMILES C[C@@]1(CSc2nc[nH]n2)S[C@@H]2[C@H](Br)C(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C10H11BrN4O3S2/c1-10(2-19-9-12-3-13-14-9)5(8(17)18)15-6(16)4(11)7(15)20-10/h3-5,7H,2H2,1H3,(H,17,18)(H,12,13,14)/t4-,5+,7-,10+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 1.05E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Citrobacter freundii 87470 Class-I beta-lactamase enzyme


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


(Citrobacter freundii)
BDBM50212642
PNG
(CHEMBL70269)
Show SMILES C[C@@]1(CSc2nc3ccccc3o2)S[C@@H]2[C@H](Br)C(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C15H13BrN2O4S2/c1-15(6-23-14-17-7-4-2-3-5-8(7)22-14)10(13(20)21)18-11(19)9(16)12(18)24-15/h2-5,9-10,12H,6H2,1H3,(H,20,21)/t9-,10+,12-,15+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 1.46E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Citrobacter freundii 87470 Class-I beta-lactamase enzyme


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


(Citrobacter freundii)
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
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

n/an/a 1.60E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Citrobacter freundii 87470 Class-I beta-lactamase enzyme


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


(Citrobacter freundii)
BDBM50053183
PNG
(CHEMBL123481 | Trifluoro-methanesulfonate1-[(E)-3-...)
Show SMILES C[C@]1(\C=C\C[n+]2ccccc2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C15H16N2O5S/c1-15(6-5-9-16-7-3-2-4-8-16)13(14(19)20)17-11(18)10-12(17)23(15,21)22/h2-8,12-13H,9-10H2,1H3/p+1/b6-5+/t12-,13+,15+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.60E+4n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Citrobacter freundii 1928, class C of Beta-lactamase


J Med Chem 39: 3712-22 (1996)


Article DOI: 10.1021/jm9601967
BindingDB Entry DOI: 10.7270/Q2ZK5H99
More data for this
Ligand-Target Pair
Beta-lactamase


(Citrobacter freundii)
BDBM50212636
PNG
(CHEMBL310221)
Show SMILES C[C@@]1(CSC2=NCCS2)S[C@@H]2[C@H](Br)C(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C11H13BrN2O3S3/c1-11(4-19-10-13-2-3-18-10)6(9(16)17)14-7(15)5(12)8(14)20-11/h5-6,8H,2-4H2,1H3,(H,16,17)/t5-,6+,8-,11+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 5.03E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Citrobacter freundii 87470 Class-I beta-lactamase enzyme


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


(Citrobacter freundii)
BDBM50212644
PNG
(CHEMBL73450)
Show SMILES Cn1ccnc1SC[C@]1(C)S[C@@H]2[C@H](Br)C(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C12H14BrN3O3S2/c1-12(5-20-11-14-3-4-15(11)2)7(10(18)19)16-8(17)6(13)9(16)21-12/h3-4,6-7,9H,5H2,1-2H3,(H,18,19)/t6-,7+,9-,12+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 8.15E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Citrobacter freundii 87470 Class-I beta-lactamase enzyme


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


(Citrobacter freundii)
BDBM50212635
PNG
(CHEMBL415266)
Show SMILES Cn1nnnc1SC[C@]1(C)S[C@@H]2[C@H](Br)C(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C10H12BrN5O3S2/c1-10(3-20-9-12-13-14-15(9)2)5(8(18)19)16-6(17)4(11)7(16)21-10/h4-5,7H,3H2,1-2H3,(H,18,19)/t4-,5+,7-,10+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 1.01E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Citrobacter freundii 87470 Class-I beta-lactamase enzyme


Citation and Details
More data for this
Ligand-Target Pair