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Found 112 hits Enz. Inhib. hit(s) with Target = 'Beta-lactamase (KPC-2)'   
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 (KPC-2)


(Klebsiella pneumoniae)
BDBM98862
PNG
(US8487093, 8)
Show SMILES CN(C)c1cc(NC(=O)[C@@H]2CCC3CN2C(=O)N3OS(O)(=O)=O)ccn1
Show InChI InChI=1S/C14H19N5O6S/c1-17(2)12-7-9(5-6-15-12)16-13(20)11-4-3-10-8-18(11)14(21)19(10)25-26(22,23)24/h5-7,10-11H,3-4,8H2,1-2H3,(H,15,16,20)(H,22,23,24)/t10?,11-/m0/s1
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US Patent
n/an/a 1.60n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.


US Patent US8487093 (2013)

More data for this
Ligand-Target Pair
Beta-lactamase (KPC-2)


(Klebsiella pneumoniae)
BDBM98847
PNG
(US8487093, 266)
Show SMILES NCc1ccc(OC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(O)(=O)=O)cc1
Show InChI InChI=1S/C14H17N3O7S/c15-7-9-1-4-11(5-2-9)23-13(18)12-6-3-10-8-16(12)14(19)17(10)24-25(20,21)22/h1-2,4-5,10,12H,3,6-8,15H2,(H,20,21,22)/t10-,12+/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.


US Patent US8487093 (2013)

More data for this
Ligand-Target Pair
Beta-lactamase (KPC-2)


(Klebsiella pneumoniae)
BDBM98834
PNG
(US8487093, 242)
Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@@H]2CNC[C@@H]2F)C1=O
Show InChI InChI=1S/C11H16FN3O7S/c12-7-3-13-4-9(7)21-10(16)8-2-1-6-5-14(8)11(17)15(6)22-23(18,19)20/h6-9,13H,1-5H2,(H,18,19,20)/t6-,7+,8+,9-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.


US Patent US8487093 (2013)

More data for this
Ligand-Target Pair
Beta-lactamase (KPC-2)


(Klebsiella pneumoniae)
BDBM98833
PNG
(US8487093, 240)
Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@H]2CNCC[C@H]2F)C1=O
Show InChI InChI=1S/C12H18FN3O7S/c13-8-3-4-14-5-10(8)22-11(17)9-2-1-7-6-15(9)12(18)16(7)23-24(19,20)21/h7-10,14H,1-6H2,(H,19,20,21)/t7-,8-,9+,10+/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.


US Patent US8487093 (2013)

More data for this
Ligand-Target Pair
Beta-lactamase (KPC-2)


(Klebsiella pneumoniae)
BDBM98831
PNG
(US8487093, 236)
Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@H]2CCNC[C@@H]2F)C1=O
Show InChI InChI=1S/C12H18FN3O7S/c13-8-5-14-4-3-10(8)22-11(17)9-2-1-7-6-15(9)12(18)16(7)23-24(19,20)21/h7-10,14H,1-6H2,(H,19,20,21)/t7-,8+,9+,10+/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.


US Patent US8487093 (2013)

More data for this
Ligand-Target Pair
Beta-lactamase (KPC-2)


(Klebsiella pneumoniae)
BDBM98822
PNG
(US8487093, 218)
Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@H]2CCCNCC2)C1=O
Show InChI InChI=1S/C13H21N3O7S/c17-12(22-10-2-1-6-14-7-5-10)11-4-3-9-8-15(11)13(18)16(9)23-24(19,20)21/h9-11,14H,1-8H2,(H,19,20,21)/t9-,10+,11+/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.


US Patent US8487093 (2013)

More data for this
Ligand-Target Pair
Beta-lactamase (KPC-2)


(Klebsiella pneumoniae)
BDBM98845
PNG
(US8487093, 262)
Show SMILES CC1(COC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(O)(=O)=O)CCNCC1
Show InChI InChI=1S/C14H23N3O7S/c1-14(4-6-15-7-5-14)9-23-12(18)11-3-2-10-8-16(11)13(19)17(10)24-25(20,21)22/h10-11,15H,2-9H2,1H3,(H,20,21,22)/t10-,11+/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.


US Patent US8487093 (2013)

More data for this
Ligand-Target Pair
Beta-lactamase (KPC-2)


(Klebsiella pneumoniae)
BDBM98830
PNG
(US8487093, 234)
Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@@H]2CCNC[C@H]2F)C1=O
Show InChI InChI=1S/C12H18FN3O7S/c13-8-5-14-4-3-10(8)22-11(17)9-2-1-7-6-15(9)12(18)16(7)23-24(19,20)21/h7-10,14H,1-6H2,(H,19,20,21)/t7-,8-,9+,10-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.


US Patent US8487093 (2013)

More data for this
Ligand-Target Pair
Beta-lactamase (KPC-2)


(Klebsiella pneumoniae)
BDBM98766
PNG
(US8487093, 136)
Show SMILES NC1CCN(CC1)C(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(O)(=O)=O
Show InChI InChI=1S/C12H20N4O6S/c13-8-3-5-14(6-4-8)11(17)10-2-1-9-7-15(10)12(18)16(9)22-23(19,20)21/h8-10H,1-7,13H2,(H,19,20,21)/t9-,10+/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.


US Patent US8487093 (2013)

More data for this
Ligand-Target Pair
Beta-lactamase (KPC-2)


(Klebsiella pneumoniae)
BDBM98861
PNG
(US8487093, 7)
Show SMILES COc1cc(NC(=O)[C@@H]2CCC3CN2C(=O)N3OS(O)(=O)=O)ccn1
Show InChI InChI=1S/C13H16N4O7S/c1-23-11-6-8(4-5-14-11)15-12(18)10-3-2-9-7-16(10)13(19)17(9)24-25(20,21)22/h4-6,9-10H,2-3,7H2,1H3,(H,14,15,18)(H,20,21,22)/t9?,10-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.


US Patent US8487093 (2013)

More data for this
Ligand-Target Pair
Beta-lactamase (KPC-2)


(Klebsiella pneumoniae)
BDBM98824
PNG
(US8487093, 222)
Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)OC2CCNCC2)C1=O
Show InChI InChI=1S/C12H19N3O7S/c16-11(21-9-3-5-13-6-4-9)10-2-1-8-7-14(10)12(17)15(8)22-23(18,19)20/h8-10,13H,1-7H2,(H,18,19,20)/t8-,10+/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.


US Patent US8487093 (2013)

More data for this
Ligand-Target Pair
Beta-lactamase (KPC-2)


(Klebsiella pneumoniae)
BDBM98829
PNG
(US8487093, 232)
Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@H]2CCNC[C@H]2F)C1=O
Show InChI InChI=1S/C12H18FN3O7S/c13-8-5-14-4-3-10(8)22-11(17)9-2-1-7-6-15(9)12(18)16(7)23-24(19,20)21/h7-10,14H,1-6H2,(H,19,20,21)/t7-,8-,9+,10+/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.


US Patent US8487093 (2013)

More data for this
Ligand-Target Pair
Beta-lactamase (KPC-2)


(Klebsiella pneumoniae)
BDBM98837
PNG
(US8487093, 248)
Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@H]2CNC[C@@H]2F)C1=O
Show InChI InChI=1S/C11H16FN3O7S/c12-7-3-13-4-9(7)21-10(16)8-2-1-6-5-14(8)11(17)15(6)22-23(18,19)20/h6-9,13H,1-5H2,(H,18,19,20)/t6-,7+,8+,9+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.


US Patent US8487093 (2013)

More data for this
Ligand-Target Pair
Beta-lactamase (KPC-2)


(Klebsiella pneumoniae)
BDBM98787
PNG
(US8487093, 170)
Show SMILES OC(=O)c1ccc(NC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(O)(=O)=O)cc1
Show InChI InChI=1S/C14H15N3O8S/c18-12(15-9-3-1-8(2-4-9)13(19)20)11-6-5-10-7-16(11)14(21)17(10)25-26(22,23)24/h1-4,10-11H,5-7H2,(H,15,18)(H,19,20)(H,22,23,24)/t10-,11+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.


US Patent US8487093 (2013)

More data for this
Ligand-Target Pair
Beta-lactamase (KPC-2)


(Klebsiella pneumoniae)
BDBM98855
PNG
(US8487093, 18)
Show SMILES OS(=O)(=O)ON1C2CN([C@@H](CC2)C(=O)OCC2CCNCC2)C1=O
Show InChI InChI=1S/C13H21N3O7S/c17-12(22-8-9-3-5-14-6-4-9)11-2-1-10-7-15(11)13(18)16(10)23-24(19,20)21/h9-11,14H,1-8H2,(H,19,20,21)/t10?,11-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.


US Patent US8487093 (2013)

More data for this
Ligand-Target Pair
Beta-lactamase (KPC-2)


(Klebsiella pneumoniae)
BDBM98810
PNG
(US8487093, 200)
Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)Nc2ccc(cn2)N2CCCC2)C1=O
Show InChI InChI=1S/C16H21N5O6S/c22-15(18-14-6-4-11(9-17-14)19-7-1-2-8-19)13-5-3-12-10-20(13)16(23)21(12)27-28(24,25)26/h4,6,9,12-13H,1-3,5,7-8,10H2,(H,17,18,22)(H,24,25,26)/t12-,13+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.


US Patent US8487093 (2013)

More data for this
Ligand-Target Pair
Beta-lactamase (KPC-2)


(Klebsiella pneumoniae)
BDBM98846
PNG
(US8487093, 264)
Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)OCC2CNCCCO2)C1=O
Show InChI InChI=1S/C13H21N3O8S/c17-12(23-8-10-6-14-4-1-5-22-10)11-3-2-9-7-15(11)13(18)16(9)24-25(19,20)21/h9-11,14H,1-8H2,(H,19,20,21)/t9-,10?,11+/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.


US Patent US8487093 (2013)

More data for this
Ligand-Target Pair
Beta-lactamase (KPC-2)


(Klebsiella pneumoniae)
BDBM98838
PNG
(US8487093, 250)
Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@H]2CNOC2)C1=O
Show InChI InChI=1S/C10H15N3O8S/c14-9(20-7-3-11-19-5-7)8-2-1-6-4-12(8)10(15)13(6)21-22(16,17)18/h6-8,11H,1-5H2,(H,16,17,18)/t6-,7+,8+/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.


US Patent US8487093 (2013)

More data for this
Ligand-Target Pair
Beta-lactamase (KPC-2)


(Klebsiella pneumoniae)
BDBM98839
PNG
(US8487093, 252)
Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@@H]2CNOC2)C1=O
Show InChI InChI=1S/C10H15N3O8S/c14-9(20-7-3-11-19-5-7)8-2-1-6-4-12(8)10(15)13(6)21-22(16,17)18/h6-8,11H,1-5H2,(H,16,17,18)/t6-,7-,8+/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.


US Patent US8487093 (2013)

More data for this
Ligand-Target Pair
Beta-lactamase (KPC-2)


(Klebsiella pneumoniae)
BDBM98796
PNG
(US8487093, 184)
Show SMILES Nc1cccc(NC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(O)(=O)=O)n1
Show InChI InChI=1S/C12H15N5O6S/c13-9-2-1-3-10(14-9)15-11(18)8-5-4-7-6-16(8)12(19)17(7)23-24(20,21)22/h1-3,7-8H,4-6H2,(H,20,21,22)(H3,13,14,15,18)/t7-,8+/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.


US Patent US8487093 (2013)

More data for this
Ligand-Target Pair
Beta-lactamase (KPC-2)


(Klebsiella pneumoniae)
BDBM98851
PNG
(US8487093, 270)
Show SMILES CC(=O)Oc1ccc(cc1OC(C)=O)C(=O)NCC(CNC(=O)c1ccc(OC(C)=O)c(OC(C)=O)c1)OC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2S(O)(=O)=O
Show InChI InChI=1S/C32H34N4O16S/c1-16(37)48-25-9-5-20(11-27(25)50-18(3)39)29(41)33-13-23(52-31(43)24-8-7-22-15-35(24)32(44)36(22)53(45,46)47)14-34-30(42)21-6-10-26(49-17(2)38)28(12-21)51-19(4)40/h5-6,9-12,22-24H,7-8,13-15H2,1-4H3,(H,33,41)(H,34,42)(H,45,46,47)/t22-,24+/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.


US Patent US8487093 (2013)

More data for this
Ligand-Target Pair
Beta-lactamase (KPC-2)


(Klebsiella pneumoniae)
BDBM98836
PNG
(US8487093, 246)
Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@@H]2CNC[C@H]2F)C1=O
Show InChI InChI=1S/C11H16FN3O7S/c12-7-3-13-4-9(7)21-10(16)8-2-1-6-5-14(8)11(17)15(6)22-23(18,19)20/h6-9,13H,1-5H2,(H,18,19,20)/t6-,7-,8+,9-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.


US Patent US8487093 (2013)

More data for this
Ligand-Target Pair
Beta-lactamase (KPC-2)


(Klebsiella pneumoniae)
BDBM98844
PNG
(US8487093, 260)
Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)OCCC2CCNCC2)C1=O
Show InChI InChI=1S/C14H23N3O7S/c18-13(23-8-5-10-3-6-15-7-4-10)12-2-1-11-9-16(12)14(19)17(11)24-25(20,21)22/h10-12,15H,1-9H2,(H,20,21,22)/t11-,12+/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.


US Patent US8487093 (2013)

More data for this
Ligand-Target Pair
Beta-lactamase (KPC-2)


(Klebsiella pneumoniae)
BDBM98806
PNG
(US8487093, 196)
Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)Nc2ccc(cn2)N2CCNCC2)C1=O
Show InChI InChI=1S/C16H22N6O6S/c23-15(19-14-4-2-11(9-18-14)20-7-5-17-6-8-20)13-3-1-12-10-21(13)16(24)22(12)28-29(25,26)27/h2,4,9,12-13,17H,1,3,5-8,10H2,(H,18,19,23)(H,25,26,27)/t12-,13+/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.


US Patent US8487093 (2013)

More data for this
Ligand-Target Pair
Beta-lactamase (KPC-2)


(Klebsiella pneumoniae)
BDBM98832
PNG
(US8487093, 238)
Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@H]2CNCC[C@@H]2F)C1=O
Show InChI InChI=1S/C12H18FN3O7S/c13-8-3-4-14-5-10(8)22-11(17)9-2-1-7-6-15(9)12(18)16(7)23-24(19,20)21/h7-10,14H,1-6H2,(H,19,20,21)/t7-,8+,9+,10+/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.


US Patent US8487093 (2013)

More data for this
Ligand-Target Pair
Beta-lactamase (KPC-2)


(Klebsiella pneumoniae)
BDBM98733
PNG
(US8487093, 76)
Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)NC2CNC2)C1=O
Show InChI InChI=1S/C10H16N4O6S/c15-9(12-6-3-11-4-6)8-2-1-7-5-13(8)10(16)14(7)20-21(17,18)19/h6-8,11H,1-5H2,(H,12,15)(H,17,18,19)/t7-,8+/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.


US Patent US8487093 (2013)

More data for this
Ligand-Target Pair
Beta-lactamase (KPC-2)


(Klebsiella pneumoniae)
BDBM98808
PNG
(US8487093, 198)
Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)Nc2ccc(cn2)N2CCOCC2)C1=O
Show InChI InChI=1S/C16H21N5O7S/c22-15(18-14-4-2-11(9-17-14)19-5-7-27-8-6-19)13-3-1-12-10-20(13)16(23)21(12)28-29(24,25)26/h2,4,9,12-13H,1,3,5-8,10H2,(H,17,18,22)(H,24,25,26)/t12-,13+/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.


US Patent US8487093 (2013)

More data for this
Ligand-Target Pair
Beta-lactamase (KPC-2)


(Klebsiella pneumoniae)
BDBM98827
PNG
(US8487093, 228)
Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)OC2CNC2)C1=O
Show InChI InChI=1S/C10H15N3O7S/c14-9(19-7-3-11-4-7)8-2-1-6-5-12(8)10(15)13(6)20-21(16,17)18/h6-8,11H,1-5H2,(H,16,17,18)/t6-,8+/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.


US Patent US8487093 (2013)

More data for this
Ligand-Target Pair
Beta-lactamase (KPC-2)


(Klebsiella pneumoniae)
BDBM98853
PNG
(US8487093, 16)
Show SMILES OS(=O)(=O)ON1C2CN([C@@H](CC2)C(=O)Nc2ccc3CNCCc3c2)C1=O
Show InChI InChI=1S/C16H20N4O6S/c21-15(18-12-2-1-11-8-17-6-5-10(11)7-12)14-4-3-13-9-19(14)16(22)20(13)26-27(23,24)25/h1-2,7,13-14,17H,3-6,8-9H2,(H,18,21)(H,23,24,25)/t13?,14-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.


US Patent US8487093 (2013)

More data for this
Ligand-Target Pair
Beta-lactamase (KPC-2)


(Klebsiella pneumoniae)
BDBM98783
PNG
(US8487093, 164)
Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)Nc2ccc3CNCCc3c2)C1=O
Show InChI InChI=1S/C16H20N4O6S/c21-15(18-12-2-1-11-8-17-6-5-10(11)7-12)14-4-3-13-9-19(14)16(22)20(13)26-27(23,24)25/h1-2,7,13-14,17H,3-6,8-9H2,(H,18,21)(H,23,24,25)/t13-,14+/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.


US Patent US8487093 (2013)

More data for this
Ligand-Target Pair
Beta-lactamase (KPC-2)


(Klebsiella pneumoniae)
BDBM98814
PNG
(US8487093, 206)
Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)Nc2ccnc(n2)N2CCNCC2)C1=O
Show InChI InChI=1S/C15H21N7O6S/c23-13(18-12-3-4-17-14(19-12)20-7-5-16-6-8-20)11-2-1-10-9-21(11)15(24)22(10)28-29(25,26)27/h3-4,10-11,16H,1-2,5-9H2,(H,25,26,27)(H,17,18,19,23)/t10-,11+/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.


US Patent US8487093 (2013)

More data for this
Ligand-Target Pair
Beta-lactamase (KPC-2)


(Klebsiella pneumoniae)
BDBM98843
PNG
(US8487093, 258)
Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)OCCN2CCCCC2)C1=O
Show InChI InChI=1S/C14H23N3O7S/c18-13(23-9-8-15-6-2-1-3-7-15)12-5-4-11-10-16(12)14(19)17(11)24-25(20,21)22/h11-12H,1-10H2,(H,20,21,22)/t11-,12+/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.


US Patent US8487093 (2013)

More data for this
Ligand-Target Pair
Beta-lactamase (KPC-2)


(Klebsiella pneumoniae)
BDBM98748
PNG
(US8487093, 102)
Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)N[C@H]2CCN(C3CCNCC3)C2=O)C1=O
Show InChI InChI=1S/C16H25N5O7S/c22-14(18-12-5-8-19(15(12)23)10-3-6-17-7-4-10)13-2-1-11-9-20(13)16(24)21(11)28-29(25,26)27/h10-13,17H,1-9H2,(H,18,22)(H,25,26,27)/t11-,12+,13+/m1/s1
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n/an/a 21n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.


US Patent US8487093 (2013)

More data for this
Ligand-Target Pair
Beta-lactamase (KPC-2)


(Klebsiella pneumoniae)
BDBM98826
PNG
(US8487093, 226)
Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@H]2CCNC2)C1=O
Show InChI InChI=1S/C11H17N3O7S/c15-10(20-8-3-4-12-5-8)9-2-1-7-6-13(9)11(16)14(7)21-22(17,18)19/h7-9,12H,1-6H2,(H,17,18,19)/t7-,8+,9+/m1/s1
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n/an/a 21n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.


US Patent US8487093 (2013)

More data for this
Ligand-Target Pair
Beta-lactamase (KPC-2)


(Klebsiella pneumoniae)
BDBM98789
PNG
(US8487093, 174)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(O)(=O)=O)cc1
Show InChI InChI=1S/C13H16N4O8S2/c14-26(20,21)10-4-1-8(2-5-10)15-12(18)11-6-3-9-7-16(11)13(19)17(9)25-27(22,23)24/h1-2,4-5,9,11H,3,6-7H2,(H,15,18)(H2,14,20,21)(H,22,23,24)/t9-,11+/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.


US Patent US8487093 (2013)

More data for this
Ligand-Target Pair
Beta-lactamase (KPC-2)


(Klebsiella pneumoniae)
BDBM98804
PNG
(US8487093, 194)
Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)Nc2cccc(n2)C2CCNCC2)C1=O
Show InChI InChI=1S/C17H23N5O6S/c23-16(20-15-3-1-2-13(19-15)11-6-8-18-9-7-11)14-5-4-12-10-21(14)17(24)22(12)28-29(25,26)27/h1-3,11-12,14,18H,4-10H2,(H,19,20,23)(H,25,26,27)/t12-,14+/m1/s1
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n/an/a 24n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.


US Patent US8487093 (2013)

More data for this
Ligand-Target Pair
Beta-lactamase (KPC-2)


(Klebsiella pneumoniae)
BDBM98835
PNG
(US8487093, 244)
Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@H]2CNC[C@H]2F)C1=O
Show InChI InChI=1S/C11H16FN3O7S/c12-7-3-13-4-9(7)21-10(16)8-2-1-6-5-14(8)11(17)15(6)22-23(18,19)20/h6-9,13H,1-5H2,(H,18,19,20)/t6-,7-,8+,9+/m1/s1
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n/an/a 24n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.


US Patent US8487093 (2013)

More data for this
Ligand-Target Pair
Beta-lactamase (KPC-2)


(Klebsiella pneumoniae)
BDBM98828
PNG
(US8487093, 230)
Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@@H]2CCNC[C@@H]2F)C1=O
Show InChI InChI=1S/C12H18FN3O7S/c13-8-5-14-4-3-10(8)22-11(17)9-2-1-7-6-15(9)12(18)16(7)23-24(19,20)21/h7-10,14H,1-6H2,(H,19,20,21)/t7-,8+,9+,10-/m1/s1
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n/an/a 26n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.


US Patent US8487093 (2013)

More data for this
Ligand-Target Pair
Beta-lactamase (KPC-2)


(Klebsiella pneumoniae)
BDBM98790
PNG
(US8487093, 176)
Show SMILES NC(=O)c1cccc(NC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(O)(=O)=O)c1
Show InChI InChI=1S/C14H16N4O7S/c15-12(19)8-2-1-3-9(6-8)16-13(20)11-5-4-10-7-17(11)14(21)18(10)25-26(22,23)24/h1-3,6,10-11H,4-5,7H2,(H2,15,19)(H,16,20)(H,22,23,24)/t10-,11+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.


US Patent US8487093 (2013)

More data for this
Ligand-Target Pair
Beta-lactamase (KPC-2)


(Klebsiella pneumoniae)
BDBM98854
PNG
(US8487093, 17)
Show SMILES OS(=O)(=O)ON1C2CN([C@@H](CC2)C(=O)Nc2ccc(cn2)C2CCNCC2)C1=O
Show InChI InChI=1S/C17H23N5O6S/c23-16(20-15-4-1-12(9-19-15)11-5-7-18-8-6-11)14-3-2-13-10-21(14)17(24)22(13)28-29(25,26)27/h1,4,9,11,13-14,18H,2-3,5-8,10H2,(H,19,20,23)(H,25,26,27)/t13?,14-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.


US Patent US8487093 (2013)

More data for this
Ligand-Target Pair
Beta-lactamase (KPC-2)


(Klebsiella pneumoniae)
BDBM98788
PNG
(US8487093, 172)
Show SMILES NC(=O)c1ccc(NC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(O)(=O)=O)cc1
Show InChI InChI=1S/C14H16N4O7S/c15-12(19)8-1-3-9(4-2-8)16-13(20)11-6-5-10-7-17(11)14(21)18(10)25-26(22,23)24/h1-4,10-11H,5-7H2,(H2,15,19)(H,16,20)(H,22,23,24)/t10-,11+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.


US Patent US8487093 (2013)

More data for this
Ligand-Target Pair
Beta-lactamase (KPC-2)


(Klebsiella pneumoniae)
BDBM98841
PNG
(US8487093, 256)
Show SMILES NCCOC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(O)(=O)=O
Show InChI InChI=1S/C9H15N3O7S/c10-3-4-18-8(13)7-2-1-6-5-11(7)9(14)12(6)19-20(15,16)17/h6-7H,1-5,10H2,(H,15,16,17)/t6-,7+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.


US Patent US8487093 (2013)

More data for this
Ligand-Target Pair
Beta-lactamase (KPC-2)


(Klebsiella pneumoniae)
BDBM98769
PNG
(US8487093, 142)
Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)N2CC3CNCC3C2)C1=O
Show InChI InChI=1S/C13H20N4O6S/c18-12(15-5-8-3-14-4-9(8)6-15)11-2-1-10-7-16(11)13(19)17(10)23-24(20,21)22/h8-11,14H,1-7H2,(H,20,21,22)/t8?,9?,10-,11+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.


US Patent US8487093 (2013)

More data for this
Ligand-Target Pair
Beta-lactamase (KPC-2)


(Klebsiella pneumoniae)
BDBM98819
PNG
(US8487093, 212)
Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)Nc2nccs2)C1=O
Show InChI InChI=1S/C10H12N4O6S2/c15-8(12-9-11-3-4-21-9)7-2-1-6-5-13(7)10(16)14(6)20-22(17,18)19/h3-4,6-7H,1-2,5H2,(H,11,12,15)(H,17,18,19)/t6-,7+/m1/s1
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n/an/a 36n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.


US Patent US8487093 (2013)

More data for this
Ligand-Target Pair
Beta-lactamase (KPC-2)


(Klebsiella pneumoniae)
BDBM98792
PNG
(US8487093, 180)
Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)Nc2ccccn2)C1=O
Show InChI InChI=1S/C12H14N4O6S/c17-11(14-10-3-1-2-6-13-10)9-5-4-8-7-15(9)12(18)16(8)22-23(19,20)21/h1-3,6,8-9H,4-5,7H2,(H,13,14,17)(H,19,20,21)/t8-,9+/m1/s1
PDB
MMDB

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US Patent
n/an/a 36n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.


US Patent US8487093 (2013)

More data for this
Ligand-Target Pair
Beta-lactamase (KPC-2)


(Klebsiella pneumoniae)
BDBM98820
PNG
(US8487093, 214)
Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)Nc2nc3CCNCc3s2)C1=O
Show InChI InChI=1S/C13H17N5O6S2/c19-11(16-12-15-8-3-4-14-5-10(8)25-12)9-2-1-7-6-17(9)13(20)18(7)24-26(21,22)23/h7,9,14H,1-6H2,(H,15,16,19)(H,21,22,23)/t7-,9+/m1/s1
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US Patent
n/an/a 39n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.


US Patent US8487093 (2013)

More data for this
Ligand-Target Pair
Beta-lactamase (KPC-2)


(Klebsiella pneumoniae)
BDBM98825
PNG
(US8487093, 224)
Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@@H]2CCNC2)C1=O
Show InChI InChI=1S/C11H17N3O7S/c15-10(20-8-3-4-12-5-8)9-2-1-7-6-13(9)11(16)14(7)21-22(17,18)19/h7-9,12H,1-6H2,(H,17,18,19)/t7-,8-,9+/m1/s1
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US Patent
n/an/a 40n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.


US Patent US8487093 (2013)

More data for this
Ligand-Target Pair
Beta-lactamase (KPC-2)


(Klebsiella pneumoniae)
BDBM98785
PNG
(US8487093, 168)
Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)Nc2ccc3NCCc3c2)C1=O
Show InChI InChI=1S/C15H18N4O6S/c20-14(17-10-1-3-12-9(7-10)5-6-16-12)13-4-2-11-8-18(13)15(21)19(11)25-26(22,23)24/h1,3,7,11,13,16H,2,4-6,8H2,(H,17,20)(H,22,23,24)/t11-,13+/m1/s1
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US Patent
n/an/a 41n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.


US Patent US8487093 (2013)

More data for this
Ligand-Target Pair
Beta-lactamase (KPC-2)


(Klebsiella pneumoniae)
BDBM98791
PNG
(US8487093, 178)
Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)Nc2cccnc2)C1=O
Show InChI InChI=1S/C12H14N4O6S/c17-11(14-8-2-1-5-13-6-8)10-4-3-9-7-15(10)12(18)16(9)22-23(19,20)21/h1-2,5-6,9-10H,3-4,7H2,(H,14,17)(H,19,20,21)/t9-,10+/m1/s1
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US Patent
n/an/a 42n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.


US Patent US8487093 (2013)

More data for this
Ligand-Target Pair
Beta-lactamase (KPC-2)


(Klebsiella pneumoniae)
BDBM98800
PNG
(US8487093, 190)
Show SMILES NCc1ccc(NC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(O)(=O)=O)nc1
Show InChI InChI=1S/C13H17N5O6S/c14-5-8-1-4-11(15-6-8)16-12(19)10-3-2-9-7-17(10)13(20)18(9)24-25(21,22)23/h1,4,6,9-10H,2-3,5,7,14H2,(H,15,16,19)(H,21,22,23)/t9-,10+/m1/s1
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US Patent
n/an/a 42n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.


US Patent US8487093 (2013)

More data for this
Ligand-Target Pair
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