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Compile Data Set for Download or QSAR

Found 837 hits of Enz. Inhib. data with enzyme = 'Beta-lactamase VIM-1' and Substrate = 'to-be-curated'   
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 VIM-1


(Klebsiella pneumoniae)
BDBM262700
PNG
(3-(2-amino-1,3-benzothiazol- 7-yl)-2-(1H-tetrazol-...)
Show SMILES Nc1nc2cccc(-c3ccc(c(c3-c3nnn[nH]3)S(N)(=O)=O)C(F)(F)F)c2s1
Show InChI InChI=1S/C15H10F3N7O2S2/c16-15(17,18)8-5-4-6(7-2-1-3-9-11(7)28-14(19)21-9)10(12(8)29(20,26)27)13-22-24-25-23-13/h1-5H,(H2,19,21)(H2,20,26,27)(H,22,23,24,25)
PDB

UniProtKB/TrEMBL

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UniChem
n/an/a 0.0620n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...


US Patent US9708336 (2017)

More data for this
Ligand-Target Pair
Beta-lactamase VIM-1


(Klebsiella pneumoniae)
BDBM262696
PNG
(3-(2-amino-1,3-benzothiazol- 6-yl)-2-(1H-tetrazol-...)
Show SMILES Nc1nc2ccc(cc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C15H10F3N7O2S2/c16-15(17,18)8-3-2-7(6-1-4-9-10(5-6)28-14(19)21-9)11(12(8)29(20,26)27)13-22-24-25-23-13/h1-5H,(H2,19,21)(H2,20,26,27)(H,22,23,24,25)
PDB

UniProtKB/TrEMBL

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UniChem
n/an/a 0.0630n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...


US Patent US9708336 (2017)

More data for this
Ligand-Target Pair
Beta-lactamase VIM-1


(Klebsiella pneumoniae)
BDBM262972
PNG
(4-[4-[3-sulfamoyl-2-(1H-tetrazol-5- yl)-4- (triflu...)
Show SMILES NC(=N)N1CCC(CC1)[C@H]1CC[C@@H](CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C20H27F3N8O2S/c21-20(22,23)15-6-5-14(16(17(15)34(26,32)33)18-27-29-30-28-18)13-3-1-11(2-4-13)12-7-9-31(10-8-12)19(24)25/h5-6,11-13H,1-4,7-10H2,(H3,24,25)(H2,26,32,33)(H,27,28,29,30)/t11-,13-
PDB

UniProtKB/TrEMBL

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UniChem
n/an/a 0.0810n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...


US Patent US9708336 (2017)

More data for this
Ligand-Target Pair
Beta-lactamase VIM-1


(Klebsiella pneumoniae)
BDBM262672
PNG
(3-(1-Oxoisoindolin-4-yl)-2-(2H- tetrazol-5-yl)-6- ...)
Show SMILES NS(=O)(=O)c1c(ccc(-c2cccc3C(=O)NCc23)c1-c1nn[nH]n1)C(F)(F)F
Show InChI InChI=1S/C16H11F3N6O3S/c17-16(18,19)11-5-4-8(7-2-1-3-9-10(7)6-21-15(9)26)12(13(11)29(20,27)28)14-22-24-25-23-14/h1-5H,6H2,(H,21,26)(H2,20,27,28)(H,22,23,24,25)
PDB

UniProtKB/TrEMBL

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UniChem
n/an/a 0.0900n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...


US Patent US9708336 (2017)

More data for this
Ligand-Target Pair
Beta-lactamase VIM-1


(Klebsiella pneumoniae)
BDBM262898
PNG
(3-(1-aminoisoquinolin-6-yl)-2- (1H-tetrazol-5-yl)-...)
Show SMILES Nc1nccc2cc(ccc12)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H12F3N7O2S/c18-17(19,20)12-4-3-10(8-1-2-11-9(7-8)5-6-23-15(11)21)13(14(12)30(22,28)29)16-24-26-27-25-16/h1-7H,(H2,21,23)(H2,22,28,29)(H,24,25,26,27)
PDB

UniProtKB/TrEMBL

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UniChem
n/an/a 0.108n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...


US Patent US9708336 (2017)

More data for this
Ligand-Target Pair
Beta-lactamase VIM-1


(Klebsiella pneumoniae)
BDBM262926
PNG
(3-[4-(4-piperidyl)-1-piperidyl]- 2-(1H-tetrazol-5-...)
Show SMILES NS(=O)(=O)c1c(ccc(N2CCC(CC2)C2CCNCC2)c1-c1nnn[nH]1)C(F)(F)F
Show InChI InChI=1S/C18H24F3N7O2S/c19-18(20,21)13-1-2-14(15(16(13)31(22,29)30)17-24-26-27-25-17)28-9-5-12(6-10-28)11-3-7-23-8-4-11/h1-2,11-12,23H,3-10H2,(H2,22,29,30)(H,24,25,26,27)
PDB

UniProtKB/TrEMBL

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UniChem
n/an/a 0.110n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...


US Patent US9708336 (2017)

More data for this
Ligand-Target Pair
Beta-lactamase VIM-1


(Klebsiella pneumoniae)
BDBM262703
PNG
(3-(2-aminoquinazolin-5-yl)-2- (2H-tetrazol-5-yl)-6...)
Show SMILES Nc1ncc2c(cccc2n1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C16H11F3N8O2S/c17-16(18,19)10-5-4-8(7-2-1-3-11-9(7)6-22-15(20)23-11)12(13(10)30(21,28)29)14-24-26-27-25-14/h1-6H,(H2,20,22,23)(H2,21,28,29)(H,24,25,26,27)
PDB

UniProtKB/TrEMBL

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UniChem
n/an/a 0.122n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...


US Patent US9708336 (2017)

More data for this
Ligand-Target Pair
Beta-lactamase VIM-1


(Klebsiella pneumoniae)
BDBM262641
PNG
(3-(1,2,3,4-Tetrahydroquinolin-4-yl)-2-(1H-tetrazol...)
Show SMILES NS(=O)(=O)c1c(ccc(C2CCNc3ccccc23)c1-c1nnn[nH]1)C(F)(F)F
Show InChI InChI=1S/C17H15F3N6O2S/c18-17(19,20)12-6-5-11(9-7-8-22-13-4-2-1-3-10(9)13)14(15(12)29(21,27)28)16-23-25-26-24-16/h1-6,9,22H,7-8H2,(H2,21,27,28)(H,23,24,25,26)
PDB

UniProtKB/TrEMBL

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UniChem
n/an/a 0.133n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...


US Patent US9708336 (2017)

More data for this
Ligand-Target Pair
Beta-lactamase VIM-1


(Klebsiella pneumoniae)
BDBM262634
PNG
(3-(Quinolin-5-yl)-2-(2H-tetrazol-5-yl)-6-(trifluor...)
Show SMILES NS(=O)(=O)c1c(ccc(-c2cccc3ncccc23)c1-c1nn[nH]n1)C(F)(F)F
Show InChI InChI=1S/C17H11F3N6O2S/c18-17(19,20)12-7-6-11(9-3-1-5-13-10(9)4-2-8-22-13)14(15(12)29(21,27)28)16-23-25-26-24-16/h1-8H,(H2,21,27,28)(H,23,24,25,26)
PDB

UniProtKB/TrEMBL

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PC sid
UniChem
n/an/a 0.134n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...


US Patent US9708336 (2017)

More data for this
Ligand-Target Pair
Beta-lactamase VIM-1


(Klebsiella pneumoniae)
BDBM262661
PNG
(5-(3-Sulfamoyl-2-(2H-tetrazol-5-yl)- 4-(trifluorom...)
Show SMILES NS(=O)(=O)c1c(ccc(-c2cccc3[n+]([O-])cccc23)c1-c1nn[nH]n1)C(F)(F)F
Show InChI InChI=1S/C17H11F3N6O3S/c18-17(19,20)12-7-6-11(9-3-1-5-13-10(9)4-2-8-26(13)27)14(15(12)30(21,28)29)16-22-24-25-23-16/h1-8H,(H2,21,28,29)(H,22,23,24,25)
PDB

UniProtKB/TrEMBL

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PC sid
UniChem
n/an/a 0.138n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...


US Patent US9708336 (2017)

More data for this
Ligand-Target Pair
Beta-lactamase VIM-1


(Klebsiella pneumoniae)
BDBM262855
PNG
(3-(1H-pyrrolo[2,3-b]pyridin-5- yl)-2-(1H-tetrazol-...)
Show SMILES NS(=O)(=O)c1c(ccc(-c2cnc3[nH]ccc3c2)c1-c1nnn[nH]1)C(F)(F)F
Show InChI InChI=1S/C15H8F3N7O2S/c16-15(17,18)10-2-1-9(8-5-7-3-4-20-13(7)21-6-8)11(12(10)28(19,26)27)14-22-24-25-23-14/h1-6H,(H2,19,26,27)/b9-8+
PDB

UniProtKB/TrEMBL

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PC sid
UniChem
n/an/a 0.144n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...


US Patent US9708336 (2017)

More data for this
Ligand-Target Pair
Beta-lactamase VIM-1


(Klebsiella pneumoniae)
BDBM262675
PNG
(7-(3-Sulfamoyl-2-(2H-tetrazol-5-yl)- 4-(trifluorom...)
Show SMILES NC(=O)c1cc2cccc(-c3ccc(c(c3-c3nn[nH]n3)S(N)(=O)=O)C(F)(F)F)c2[nH]1
Show InChI InChI=1S/C17H10F3N7O3S/c18-17(19,20)10-5-4-8(12(14(10)31(22,29)30)16-24-26-27-25-16)9-3-1-2-7-6-11(15(21)28)23-13(7)9/h1-6H,(H2,21,28)(H2,22,29,30)/b9-8+
PDB

UniProtKB/TrEMBL

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UniChem
n/an/a 0.146n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...


US Patent US9708336 (2017)

More data for this
Ligand-Target Pair
Beta-lactamase VIM-1


(Klebsiella pneumoniae)
BDBM262890
PNG
(3-(2-amino-4-fluoro-1,3- benzothiazol-6-yl)-2-(1H-...)
Show SMILES Nc1nc2c(F)cc(cc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C15H9F4N7O2S2/c16-8-3-5(4-9-11(8)22-14(20)29-9)6-1-2-7(15(17,18)19)12(30(21,27)28)10(6)13-23-25-26-24-13/h1-4H,(H2,20,22)(H2,21,27,28)(H,23,24,25,26)
PDB

UniProtKB/TrEMBL

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UniChem
n/an/a 0.147n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...


US Patent US9708336 (2017)

More data for this
Ligand-Target Pair
Beta-lactamase VIM-1


(Klebsiella pneumoniae)
BDBM262715
PNG
(3-(2-amino-4-methyl-1H-benzo[d]imidazol-7-yl)-2-(1...)
Show SMILES Cc1ccc(-c2ccc(c(c2-c2nnn[nH]2)S(N)(=O)=O)C(F)(F)F)c2[nH]c(N)nc12
Show InChI InChI=1S/C16H11F3N8O2S/c1-6-2-3-8(12-11(6)22-15(20)23-12)7-4-5-9(16(17,18)19)13(30(21,28)29)10(7)14-24-26-27-25-14/h2-5H,1H3,(H2,20,22)(H2,21,28,29)/b8-7+
PDB

UniProtKB/TrEMBL

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UniChem
n/an/a 0.161n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...


US Patent US9708336 (2017)

More data for this
Ligand-Target Pair
Beta-lactamase VIM-1


(Klebsiella pneumoniae)
BDBM262421
PNG
(US9708336, 273)
Show SMILES NS(=O)(=O)c1c(ccc(-c2ccnc3ccccc23)c1-c1nn[nH]n1)C(F)(F)F
Show InChI InChI=1S/C17H11F3N6O2S/c18-17(19,20)12-6-5-11(9-7-8-22-13-4-2-1-3-10(9)13)14(15(12)29(21,27)28)16-23-25-26-24-16/h1-8H,(H2,21,27,28)(H,23,24,25,26)
PDB

UniProtKB/TrEMBL

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UniChem
n/an/a 0.165n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...


US Patent US9708336 (2017)

More data for this
Ligand-Target Pair
Beta-lactamase VIM-1


(Klebsiella pneumoniae)
BDBM262857
PNG
(3-pyrazolo[1,5-a]pyridin-3-yl-2- (1H-tetrazol-5-yl...)
Show SMILES NS(=O)(=O)c1c(ccc(-c2cnn3ccccc23)c1-c1nnn[nH]1)C(F)(F)F
Show InChI InChI=1S/C15H10F3N7O2S/c16-15(17,18)10-5-4-8(9-7-20-25-6-2-1-3-11(9)25)12(13(10)28(19,26)27)14-21-23-24-22-14/h1-7H,(H2,19,26,27)(H,21,22,23,24)
PDB

UniProtKB/TrEMBL

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PC sid
UniChem
n/an/a 0.168n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...


US Patent US9708336 (2017)

More data for this
Ligand-Target Pair
Beta-lactamase VIM-1


(Klebsiella pneumoniae)
BDBM262595
PNG
(3-(2-guanidino-2,3-dihydro-1H-inden-5- yl)-2-(2H-t...)
Show SMILES NC(=N)NC1Cc2ccc(cc2C1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C18H17F3N8O2S/c19-18(20,21)13-4-3-12(14(15(13)32(24,30)31)16-26-28-29-27-16)9-2-1-8-6-11(25-17(22)23)7-10(8)5-9/h1-5,11H,6-7H2,(H4,22,23,25)(H2,24,30,31)(H,26,27,28,29)
PDB

UniProtKB/TrEMBL

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PC sid
UniChem
n/an/a 0.171n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...


US Patent US9708336 (2017)

More data for this
Ligand-Target Pair
Beta-lactamase VIM-1


(Klebsiella pneumoniae)
BDBM262892
PNG
(3-(2-aminoquinolin-6-yl)-2-(1H- tetrazol-5-yl)-6- ...)
Show SMILES Nc1ccc2cc(ccc2n1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H12F3N7O2S/c18-17(19,20)11-4-3-10(8-1-5-12-9(7-8)2-6-13(21)23-12)14(15(11)30(22,28)29)16-24-26-27-25-16/h1-7H,(H2,21,23)(H2,22,28,29)(H,24,25,26,27)
PDB

UniProtKB/TrEMBL

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UniChem
n/an/a 0.175n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...


US Patent US9708336 (2017)

More data for this
Ligand-Target Pair
Beta-lactamase VIM-1


(Klebsiella pneumoniae)
BDBM262582
PNG
(3-(3′-sulfamoyl-2′-(2H-tetrazol-5-yl)-...)
Show SMILES NC(=N)N1CC(C1)c1ccc(cc1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C18H17F3N8O2S/c19-18(20,21)13-6-5-12(14(15(13)32(24,30)31)16-25-27-28-26-16)10-3-1-9(2-4-10)11-7-29(8-11)17(22)23/h1-6,11H,7-8H2,(H3,22,23)(H2,24,30,31)(H,25,26,27,28)
PDB

UniProtKB/TrEMBL

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UniChem
n/an/a 0.175n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...


US Patent US9708336 (2017)

More data for this
Ligand-Target Pair
Beta-lactamase VIM-1


(Klebsiella pneumoniae)
BDBM262702
PNG
(3-(6-amino-2-methyl-3- pyridyl)-2-(2H-tetrazol-5-y...)
Show SMILES Cc1nc(N)ccc1-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C14H12F3N7O2S/c1-6-7(3-5-10(18)20-6)8-2-4-9(14(15,16)17)12(27(19,25)26)11(8)13-21-23-24-22-13/h2-5H,1H3,(H2,18,20)(H2,19,25,26)(H,21,22,23,24)
PDB

UniProtKB/TrEMBL

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UniChem
n/an/a 0.177n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...


US Patent US9708336 (2017)

More data for this
Ligand-Target Pair
Beta-lactamase VIM-1


(Klebsiella pneumoniae)
BDBM262705
PNG
(3-(2-aminoquinazolin-8-yl)-2- (2H-tetrazol-5-yl)-6...)
Show SMILES Nc1ncc2cccc(-c3ccc(c(c3-c3nn[nH]n3)S(N)(=O)=O)C(F)(F)F)c2n1
Show InChI InChI=1S/C16H11F3N8O2S/c17-16(18,19)10-5-4-8(9-3-1-2-7-6-22-15(20)23-12(7)9)11(13(10)30(21,28)29)14-24-26-27-25-14/h1-6H,(H2,20,22,23)(H2,21,28,29)(H,24,25,26,27)
PDB

UniProtKB/TrEMBL

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UniChem
n/an/a 0.178n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...


US Patent US9708336 (2017)

More data for this
Ligand-Target Pair
Beta-lactamase VIM-1


(Klebsiella pneumoniae)
BDBM262651
PNG
(US9708336, 503)
Show SMILES NC(=N)NC[C@H]1CCC(CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C16H21F3N8O2S/c17-16(18,19)11-6-5-10(9-3-1-8(2-4-9)7-23-15(20)21)12(13(11)30(22,28)29)14-24-26-27-25-14/h5-6,8-9H,1-4,7H2,(H4,20,21,23)(H2,22,28,29)(H,24,25,26,27)/t8-,9?
PDB

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n/an/a 0.183n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...


US Patent US9708336 (2017)

More data for this
Ligand-Target Pair
Beta-lactamase VIM-1


(Klebsiella pneumoniae)
BDBM262902
PNG
(3-[4-(2-aminoethyl)piperidin-1- yl]-2-(1H-tetrazol...)
Show SMILES NCCC1CCN(CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C15H20F3N7O2S/c16-15(17,18)10-1-2-11(25-7-4-9(3-6-19)5-8-25)12(13(10)28(20,26)27)14-21-23-24-22-14/h1-2,9H,3-8,19H2,(H2,20,26,27)(H,21,22,23,24)
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n/an/a 0.191n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...


US Patent US9708336 (2017)

More data for this
Ligand-Target Pair
Beta-lactamase VIM-1


(Klebsiella pneumoniae)
BDBM262630
PNG
(4-(3-Sulfamoyl-2-(1H-tetrazol-5-yl)-4-(trifluorome...)
Show SMILES NC(=N)c1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C16H11F3N8O2S2/c17-16(18,19)8-5-4-6(10(12(8)31(22,28)29)14-24-26-27-25-14)7-2-1-3-9-11(7)23-15(30-9)13(20)21/h1-5H,(H3,20,21)(H2,22,28,29)(H,24,25,26,27)
PDB

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n/an/a 0.194n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...


US Patent US9708336 (2017)

More data for this
Ligand-Target Pair
Beta-lactamase VIM-1


(Klebsiella pneumoniae)
BDBM262969
PNG
(9-[3-sulfamoyl-2-(1H-tetrazol-5-yl)- 4-(trifluorom...)
Show SMILES NC(=N)N1CCC2(CC1)CCN(CC2)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C18H24F3N9O2S/c19-18(20,21)11-1-2-12(13(14(11)33(24,31)32)15-25-27-28-26-15)29-7-3-17(4-8-29)5-9-30(10-6-17)16(22)23/h1-2H,3-10H2,(H3,22,23)(H2,24,31,32)(H,25,26,27,28)
PDB

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n/an/a 0.196n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...


US Patent US9708336 (2017)

More data for this
Ligand-Target Pair
Beta-lactamase VIM-1


(Klebsiella pneumoniae)
BDBM262633
PNG
(3-(Imidazo[1,5-a]pyridin-8-yl)-2-(1H-tetrazol-5-yl...)
Show SMILES NS(=O)(=O)c1c(ccc(-c2cccn3cncc23)c1-c1nnn[nH]1)C(F)(F)F
Show InChI InChI=1S/C15H10F3N7O2S/c16-15(17,18)10-4-3-9(8-2-1-5-25-7-20-6-11(8)25)12(13(10)28(19,26)27)14-21-23-24-22-14/h1-7H,(H2,19,26,27)(H,21,22,23,24)
PDB

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n/an/a 0.197n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...


US Patent US9708336 (2017)

More data for this
Ligand-Target Pair
Beta-lactamase VIM-1


(Klebsiella pneumoniae)
BDBM262706
PNG
(3-[4-(2-hydroxy-1H-imidazol- 4-yl)phenyl]-2-(1H-te...)
Show SMILES NS(=O)(=O)c1c(ccc(-c2ccc(cc2)-c2c[nH]c(O)[nH+]2)c1-c1nnn[nH]1)C(F)(F)F
Show InChI InChI=1S/C17H10F3N7O3S/c18-17(19,20)11-6-5-10(13(14(11)31(21,29)30)15-24-26-27-25-15)8-1-3-9(4-2-8)12-7-22-16(28)23-12/h1-7H,(H,23,28)(H2,21,29,30)/p+1/b10-8-,12-9-
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n/an/a 0.212n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...


US Patent US9708336 (2017)

More data for this
Ligand-Target Pair
Beta-lactamase VIM-1


(Klebsiella pneumoniae)
BDBM262979
PNG
(3-((1r,4r)-4-(piperidin-4-yl)cyclohexyl)-2-(1H-tet...)
Show SMILES NS(=O)(=O)c1c(ccc([C@H]2CCC(CC2)C2CCNCC2)c1-c1nnn[nH]1)C(F)(F)F
Show InChI InChI=1S/C19H25F3N6O2S/c20-19(21,22)15-6-5-14(16(17(15)31(23,29)30)18-25-27-28-26-18)13-3-1-11(2-4-13)12-7-9-24-10-8-12/h5-6,11-13,24H,1-4,7-10H2,(H2,23,29,30)(H,25,26,27,28)/t11?,13-
PDB

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n/an/a 0.212n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...


US Patent US9708336 (2017)

More data for this
Ligand-Target Pair
Beta-lactamase VIM-1


(Klebsiella pneumoniae)
BDBM262707
PNG
(3-[4-(2-amino-3-methyl- imidazol-4-yl)phenyl]-2-(1...)
Show SMILES Cn1c(N)[nH+]cc1-c1ccc(cc1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C18H15F3N8O2S/c1-29-13(8-24-17(29)22)10-4-2-9(3-5-10)11-6-7-12(18(19,20)21)15(32(23,30)31)14(11)16-25-27-28-26-16/h2-8H,1H3,(H2,22,24)(H2,23,30,31)(H,25,26,27,28)/p+1
PDB

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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...


US Patent US9708336 (2017)

More data for this
Ligand-Target Pair
Beta-lactamase VIM-1


(Klebsiella pneumoniae)
BDBM262631
PNG
(3-(2-Cyanobenzo[d]thiazol-4-yl)-2-(1H-tetrazol-5-y...)
Show SMILES NS(=O)(=O)c1c(ccc(-c2cccc3sc(nc23)C#N)c1-c1nnn[nH]1)C(F)(F)F
Show InChI InChI=1S/C16H8F3N7O2S2/c17-16(18,19)9-5-4-7(8-2-1-3-10-13(8)22-11(6-20)29-10)12(14(9)30(21,27)28)15-23-25-26-24-15/h1-5H,(H2,21,27,28)(H,23,24,25,26)
PDB

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n/an/a 0.216n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...


US Patent US9708336 (2017)

More data for this
Ligand-Target Pair
Beta-lactamase VIM-1


(Klebsiella pneumoniae)
BDBM262808
PNG
(3-[4-(2-hydroxyethyl)piperidin-1-yl]- 2-(1H-tetraz...)
Show SMILES NS(=O)(=O)c1c(ccc(N2CCC(CCO)CC2)c1-c1nnn[nH]1)C(F)(F)F
Show InChI InChI=1S/C15H19F3N6O3S/c16-15(17,18)10-1-2-11(24-6-3-9(4-7-24)5-8-25)12(13(10)28(19,26)27)14-20-22-23-21-14/h1-2,9,25H,3-8H2,(H2,19,26,27)(H,20,21,22,23)
PDB

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n/an/a 0.220n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...


US Patent US9708336 (2017)

More data for this
Ligand-Target Pair
Beta-lactamase VIM-1


(Klebsiella pneumoniae)
BDBM262858
PNG
(3-furo[3,2-b]pyridin-6-yl-2-(1H- tetrazol-5-yl)-6-...)
Show SMILES NS(=O)(=O)c1c(ccc(-c2cnc3ccoc3c2)c1-c1nnn[nH]1)C(F)(F)F
Show InChI InChI=1S/C15H9F3N6O3S/c16-15(17,18)9-2-1-8(7-5-11-10(20-6-7)3-4-27-11)12(13(9)28(19,25)26)14-21-23-24-22-14/h1-6H,(H2,19,25,26)(H,21,22,23,24)
PDB

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n/an/a 0.224n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...


US Patent US9708336 (2017)

More data for this
Ligand-Target Pair
Beta-lactamase VIM-1


(Klebsiella pneumoniae)
BDBM262714
PNG
(3-(2-amino-5-(trifluoromethyl)-1H-benzo[d]imidazol...)
Show SMILES Nc1nc2cc(cc(-c3ccc(c(c3-c3nnn[nH]3)S(N)(=O)=O)C(F)(F)F)c2[nH]1)C(F)(F)F
Show InChI InChI=1S/C16H8F6N8O2S/c17-15(18,19)5-3-7(11-9(4-5)25-14(23)26-11)6-1-2-8(16(20,21)22)12(33(24,31)32)10(6)13-27-29-30-28-13/h1-4H,(H2,23,25)(H2,24,31,32)/b7-6+
PDB

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n/an/a 0.225n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...


US Patent US9708336 (2017)

More data for this
Ligand-Target Pair
Beta-lactamase VIM-1


(Klebsiella pneumoniae)
BDBM262802
PNG
(3-(3-methyl-1,4,6,7-tetrahydro-5H- pyrazolo[4,3-c]...)
Show SMILES Cc1n[nH]c2CCN(Cc12)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C15H15F3N8O2S/c1-7-8-6-26(5-4-10(8)21-20-7)11-3-2-9(15(16,17)18)13(29(19,27)28)12(11)14-22-24-25-23-14/h2-3H,4-6H2,1H3,(H,20,21)(H2,19,27,28)(H,22,23,24,25)
PDB

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n/an/a 0.225n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...


US Patent US9708336 (2017)

More data for this
Ligand-Target Pair
Beta-lactamase VIM-1


(Klebsiella pneumoniae)
BDBM262893
PNG
(3-(1-oxo-2,3-dihydro-1H- isoindol-5-yl)-2-(1H-tetr...)
Show SMILES NS(=O)(=O)c1c(ccc(-c2ccc3C(=O)NCc3c2)c1-c1nnn[nH]1)C(F)(F)F
Show InChI InChI=1S/C16H11F3N6O3S/c17-16(18,19)11-4-3-9(7-1-2-10-8(5-7)6-21-15(10)26)12(13(11)29(20,27)28)14-22-24-25-23-14/h1-5H,6H2,(H,21,26)(H2,20,27,28)(H,22,23,24,25)
PDB

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n/an/a 0.234n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...


US Patent US9708336 (2017)

More data for this
Ligand-Target Pair
Beta-lactamase VIM-1


(Klebsiella pneumoniae)
BDBM262977
PNG
(3-[4-[(1-aminocyclopropyl)methylamino]cyclohexyl]-...)
Show SMILES NC1(CNC2CCC(CC2)c2ccc(c(c2-c2nnn[nH]2)S(N)(=O)=O)C(F)(F)F)CC1
Show InChI InChI=1S/C18H24F3N7O2S/c19-18(20,21)13-6-5-12(14(15(13)31(23,29)30)16-25-27-28-26-16)10-1-3-11(4-2-10)24-9-17(22)7-8-17/h5-6,10-11,24H,1-4,7-9,22H2,(H2,23,29,30)(H,25,26,27,28)
PDB

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n/an/a 0.247n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...


US Patent US9708336 (2017)

More data for this
Ligand-Target Pair
Beta-lactamase VIM-1


(Klebsiella pneumoniae)
BDBM262895
PNG
(3-imidazo[1,2-a]pyridin-3-yl-2- (1H-tetrazol-5-yl)...)
Show SMILES NS(=O)(=O)c1c(ccc(-c2cnc3ccccn23)c1-c1nnn[nH]1)C(F)(F)F
Show InChI InChI=1S/C15H10F3N7O2S/c16-15(17,18)9-5-4-8(10-7-20-11-3-1-2-6-25(10)11)12(13(9)28(19,26)27)14-21-23-24-22-14/h1-7H,(H2,19,26,27)(H,21,22,23,24)
PDB

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n/an/a 0.248n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...


US Patent US9708336 (2017)

More data for this
Ligand-Target Pair
Beta-lactamase VIM-1


(Klebsiella pneumoniae)
BDBM262854
PNG
(4'-(2-aminoethyl)-2-(1H- tetrazol-5-yl)-4- (triflu...)
Show SMILES NCCc1ccc(cc1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C16H15F3N6O2S/c17-16(18,19)12-6-5-11(10-3-1-9(2-4-10)7-8-20)13(14(12)28(21,26)27)15-22-24-25-23-15/h1-6H,7-8,20H2,(H2,21,26,27)(H,22,23,24,25)
PDB

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n/an/a 0.249n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...


US Patent US9708336 (2017)

More data for this
Ligand-Target Pair
Beta-lactamase VIM-1


(Klebsiella pneumoniae)
BDBM262594
PNG
(5-(3-sulfamoyl-2-(2H-tetrazol-5-yl)-4- (trifluorom...)
Show SMILES NC(=N)N1Cc2ccc(cc2C1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H15F3N8O2S/c18-17(19,20)12-4-3-11(13(14(12)31(23,29)30)15-24-26-27-25-15)8-1-2-9-6-28(16(21)22)7-10(9)5-8/h1-5H,6-7H2,(H3,21,22)(H2,23,29,30)(H,24,25,26,27)
PDB

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n/an/a 0.252n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...


US Patent US9708336 (2017)

More data for this
Ligand-Target Pair
Beta-lactamase VIM-1


(Klebsiella pneumoniae)
BDBM262698
PNG
(3-(2-amino-3H-benzimidazol- 4-yl)-2-(1H-tetrazol-5...)
Show SMILES Nc1nc2cccc(-c3ccc(c(c3-c3nnn[nH]3)S(N)(=O)=O)C(F)(F)F)c2[nH]1
Show InChI InChI=1S/C15H9F3N8O2S/c16-15(17,18)8-5-4-6(7-2-1-3-9-11(7)22-14(19)21-9)10(12(8)29(20,27)28)13-23-25-26-24-13/h1-5H,(H2,19,21)(H2,20,27,28)/b7-6+
PDB

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n/an/a 0.260n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...


US Patent US9708336 (2017)

More data for this
Ligand-Target Pair
Beta-lactamase VIM-1


(Klebsiella pneumoniae)
BDBM262699
PNG
(3-(2-amino-3H-benzimidazol- 5-yl)-2-(1H-tetrazol-5...)
Show SMILES Nc1nc2ccc(cc2[nH]1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C15H9F3N8O2S/c16-15(17,18)8-3-2-7(6-1-4-9-10(5-6)22-14(19)21-9)11(12(8)29(20,27)28)13-23-25-26-24-13/h1-5H,(H2,19,22)(H2,20,27,28)/b7-6+
PDB

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n/an/a 0.262n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...


US Patent US9708336 (2017)

More data for this
Ligand-Target Pair
Beta-lactamase VIM-1


(Klebsiella pneumoniae)
BDBM262896
PNG
(3-(4-aminoquinazolin-7-yl)-2- (1H-tetrazol-5-yl)-6...)
Show SMILES Nc1ncnc2cc(ccc12)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C16H11F3N8O2S/c17-16(18,19)10-4-3-8(7-1-2-9-11(5-7)22-6-23-14(9)20)12(13(10)30(21,28)29)15-24-26-27-25-15/h1-6H,(H2,20,22,23)(H2,21,28,29)(H,24,25,26,27)
PDB

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n/an/a 0.262n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...


US Patent US9708336 (2017)

More data for this
Ligand-Target Pair
Beta-lactamase VIM-1


(Klebsiella pneumoniae)
BDBM262624
PNG
(3-(6-amino-5-fluoro-3-pyridyl)-2- (1H-tetrazol-5-y...)
Show SMILES Nc1ncc(cc1F)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C13H9F4N7O2S/c14-8-3-5(4-20-11(8)18)6-1-2-7(13(15,16)17)10(27(19,25)26)9(6)12-21-23-24-22-12/h1-4H,(H2,18,20)(H2,19,25,26)(H,21,22,23,24)
PDB

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PC sid
UniChem
n/an/a 0.263n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...


US Patent US9708336 (2017)

More data for this
Ligand-Target Pair
Beta-lactamase VIM-1


(Klebsiella pneumoniae)
BDBM262628
PNG
(3-(3-amino-1H-indazol-5-yl)-2-(1H- tetrazol-5-yl)-...)
Show SMILES Nc1n[nH]c2ccc(cc12)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C15H9F3N8O2S/c16-15(17,18)9-3-2-7(6-1-4-10-8(5-6)13(19)22-21-10)11(12(9)29(20,27)28)14-23-25-26-24-14/h1-5H,(H2,19,22)(H2,20,27,28)/b7-6-
PDB

UniProtKB/TrEMBL

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UniChem
n/an/a 0.264n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...


US Patent US9708336 (2017)

More data for this
Ligand-Target Pair
Beta-lactamase VIM-1


(Klebsiella pneumoniae)
BDBM262590
PNG
(3-(2-amino-2,3-dihydro-1H-inden-5-yl)-2-(2H- tetra...)
Show SMILES NC1Cc2ccc(cc2C1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H15F3N6O2S/c18-17(19,20)13-4-3-12(9-2-1-8-6-11(21)7-10(8)5-9)14(15(13)29(22,27)28)16-23-25-26-24-16/h1-5,11H,6-7,21H2,(H2,22,27,28)(H,23,24,25,26)
PDB

UniProtKB/TrEMBL

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UniChem
n/an/a 0.268n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...


US Patent US9708336 (2017)

More data for this
Ligand-Target Pair
Beta-lactamase VIM-1


(Klebsiella pneumoniae)
BDBM262927
PNG
(3-(4-piperazin-1-yl-1- piperidyl)-2-(1H-tetrazol-5...)
Show SMILES NS(=O)(=O)c1c(ccc(N2CCC(CC2)N2CCNCC2)c1-c1nnn[nH]1)C(F)(F)F
Show InChI InChI=1S/C17H23F3N8O2S/c18-17(19,20)12-1-2-13(14(15(12)31(21,29)30)16-23-25-26-24-16)28-7-3-11(4-8-28)27-9-5-22-6-10-27/h1-2,11,22H,3-10H2,(H2,21,29,30)(H,23,24,25,26)
PDB

UniProtKB/TrEMBL

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UniChem
n/an/a 0.274n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...


US Patent US9708336 (2017)

More data for this
Ligand-Target Pair
Beta-lactamase VIM-1


(Klebsiella pneumoniae)
BDBM262663
PNG
(5-(3-Sulfamoyl-2-(2H-tetrazol-5-yl)- 4- (trifluoro...)
Show SMILES NS(=O)(=O)c1c(ccc(-c2cccc3c[n+]([O-])ccc23)c1-c1nn[nH]n1)C(F)(F)F
Show InChI InChI=1S/C17H11F3N6O3S/c18-17(19,20)13-5-4-12(11-3-1-2-9-8-26(27)7-6-10(9)11)14(15(13)30(21,28)29)16-22-24-25-23-16/h1-8H,(H2,21,28,29)(H,22,23,24,25)
PDB

UniProtKB/TrEMBL

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UniChem
n/an/a 0.277n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...


US Patent US9708336 (2017)

More data for this
Ligand-Target Pair
Beta-lactamase VIM-1


(Klebsiella pneumoniae)
BDBM262856
PNG
(3-isothiazolo[3,4-b]pyridin-3-yl- 2-(1H-tetrazol-5...)
Show SMILES NS(=O)(=O)c1c(ccc(-c2snc3ncccc23)c1-c1nnn[nH]1)C(F)(F)F
Show InChI InChI=1S/C14H8F3N7O2S2/c15-14(16,17)8-4-3-6(10-7-2-1-5-19-12(7)22-27-10)9(11(8)28(18,25)26)13-20-23-24-21-13/h1-5H,(H2,18,25,26)(H,20,21,23,24)
PDB

UniProtKB/TrEMBL

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UniChem
n/an/a 0.289n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...


US Patent US9708336 (2017)

More data for this
Ligand-Target Pair
Beta-lactamase VIM-1


(Klebsiella pneumoniae)
BDBM262677
PNG
(6-(2-Hydroxyethyl)-3-(quinolin-5-yl)- 2-(2H-tetraz...)
Show SMILES NS(=O)(=O)c1c(CCO)ccc(-c2cccc3ncccc23)c1-c1nn[nH]n1
Show InChI InChI=1S/C18H16N6O3S/c19-28(26,27)17-11(8-10-25)6-7-14(16(17)18-21-23-24-22-18)12-3-1-5-15-13(12)4-2-9-20-15/h1-7,9,25H,8,10H2,(H2,19,26,27)(H,21,22,23,24)
PDB

UniProtKB/TrEMBL

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UniChem
n/an/a 0.300n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...


US Patent US9708336 (2017)

More data for this
Ligand-Target Pair
Beta-lactamase VIM-1


(Klebsiella pneumoniae)
BDBM262716
PNG
(3-(2-amino-5-cyano-1H-benzo[d]imidazol-7-yl)-2-(1H...)
Show SMILES Nc1nc2cc(cc(-c3ccc(c(c3-c3nnn[nH]3)S(N)(=O)=O)C(F)(F)F)c2[nH]1)C#N
Show InChI InChI=1S/C16H8F3N9O2S/c17-16(18,19)9-2-1-7(11(13(9)31(22,29)30)14-25-27-28-26-14)8-3-6(5-20)4-10-12(8)24-15(21)23-10/h1-4H,(H2,21,23)(H2,22,29,30)/b8-7+
PDB

UniProtKB/TrEMBL

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UniChem
n/an/a 0.309n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...


US Patent US9708336 (2017)

More data for this
Ligand-Target Pair
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