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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Beta-lactamase ACC-4'   
Target
(Institution)
LigandTarget
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 ACC-4


(Escherichia coli)
BDBM50022788
PNG
((2S,5R,6R)-6-(3-(2-chlorophenyl)-5-methylisoxazole...)
Show SMILES Cc1onc(c1C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O)-c1ccccc1Cl
Show InChI InChI=1S/C19H18ClN3O5S/c1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23/h4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27)/t13-,14+,17-/m1/s1
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n/an/a 26n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli beta-lactamase ACC4


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Beta-lactamase ACC-4


(Escherichia coli)
BDBM50053184
PNG
((2S,3S,5R)-3-((Z)-2-Cyano-vinyl)-3-methyl-4,4,7-tr...)
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)/b3-2-/t7-,8+,10+/m1/s1
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n/an/a 1.03E+4n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli beta-lactamase ACC4


Citation and Details
More data for this
Ligand-Target Pair
Beta-lactamase ACC-4


(Escherichia coli)
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
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n/an/a 1.71E+5n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli beta-lactamase ACC4


Citation and Details
More data for this
Ligand-Target Pair
Beta-lactamase ACC-4


(Escherichia coli)
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
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n/an/a 2.50E+5n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli beta-lactamase ACC4


Citation and Details
More data for this
Ligand-Target Pair
Beta-lactamase ACC-4


(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>5.00E+5n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli beta-lactamase ACC4


Citation and Details
More data for this
Ligand-Target Pair