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Compile Data Set for Download or QSAR

Found 6 hits of ic50 data for polymerid = 50000004   
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)
BDBM50149469
PNG
(CHEMBL331090 | Sodium; (R)-7-oxo-6-[1-(5,6,7,8-tet...)
Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cnc2CNCCn12 |t:3|
Show InChI InChI=1S/C13H12N4O3S/c18-11-8(12-17(11)9(6-21-12)13(19)20)3-7-4-15-10-5-14-1-2-16(7)10/h3-4,6,12,14H,1-2,5H2,(H,19,20)/p-1/b8-3-/t12-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Class A (TEM-1) beta-Lactamases


J Med Chem 47: 3674-88 (2004)


Article DOI: 10.1021/jm049903j
BindingDB Entry DOI: 10.7270/Q2MK6CCT
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50149468
PNG
(CHEMBL263746 | Sodium; (R)-6-[1-(5,6-dihydro-8H-im...)
Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cnc2COCCn12 |t:3|
Show InChI InChI=1S/C13H11N3O4S/c17-11-8(12-16(11)9(6-21-12)13(18)19)3-7-4-14-10-5-20-2-1-15(7)10/h3-4,6,12H,1-2,5H2,(H,18,19)/p-1/b8-3-/t12-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Class A (Imi-1) beta-Lactamases


J Med Chem 47: 3674-88 (2004)


Article DOI: 10.1021/jm049903j
BindingDB Entry DOI: 10.7270/Q2MK6CCT
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50149469
PNG
(CHEMBL331090 | Sodium; (R)-7-oxo-6-[1-(5,6,7,8-tet...)
Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cnc2CNCCn12 |t:3|
Show InChI InChI=1S/C13H12N4O3S/c18-11-8(12-17(11)9(6-21-12)13(19)20)3-7-4-15-10-5-14-1-2-16(7)10/h3-4,6,12,14H,1-2,5H2,(H,19,20)/p-1/b8-3-/t12-/m1/s1
PDB

KEGG

UniProtKB/TrEMBL

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PubMed
n/an/a 28n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Class A (Imi-1) beta-Lactamases


J Med Chem 47: 3674-88 (2004)


Article DOI: 10.1021/jm049903j
BindingDB Entry DOI: 10.7270/Q2MK6CCT
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
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 |r|
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
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n/an/a 30n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Class A (Imi-1) beta-Lactamases


J Med Chem 47: 3674-88 (2004)


Article DOI: 10.1021/jm049903j
BindingDB Entry DOI: 10.7270/Q2MK6CCT
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
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 |r|
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

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PubMed
n/an/a 30n/an/an/an/an/an/a



University of Aveiro

Curated by ChEMBL


Assay Description
Inhibition of Enterobacter cloacae IMI1 beta lactamase expressed in Escherichia coli DH5alpha by SDS-PAGE


Antimicrob Agents Chemother 51: 4512-4 (2007)


Article DOI: 10.1128/AAC.00491-07
BindingDB Entry DOI: 10.7270/Q2PK0FX5
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50149466
PNG
(CHEMBL124416 | Sodium; (R)-6-[1-(5,6-dihydro-4H-py...)
Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CCCn2n1 |t:3|
Show InChI InChI=1S/C13H11N3O3S/c17-11-9(12-16(11)10(6-20-12)13(18)19)5-7-4-8-2-1-3-15(8)14-7/h4-6,12H,1-3H2,(H,18,19)/p-1/b9-5-/t12-/m1/s1
PDB

KEGG

UniProtKB/TrEMBL

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PC sid
UniChem

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Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Class A (Imi-1) beta-Lactamases


J Med Chem 47: 3674-88 (2004)


Article DOI: 10.1021/jm049903j
BindingDB Entry DOI: 10.7270/Q2MK6CCT
More data for this
Ligand-Target Pair