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Found 840 hits Enz. Inhib. hit(s) with Target = 'Beta-lactamase VIM-1'   
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 VIM-1


(Klebsiella pneumoniae)
BDBM262250
PNG
(3-(5-cyano-1H-indol-2-yl)-2- (2H-tetrazol-5- yl)be...)
Show SMILES NS(=O)(=O)c1cccc(C2Cc3cc(ccc3N2)C#N)c1-c1nn[nH]n1
Show InChI InChI=1S/C16H13N7O2S/c17-8-9-4-5-12-10(6-9)7-13(19-12)11-2-1-3-14(26(18,24)25)15(11)16-20-22-23-21-16/h1-6,13,19H,7H2,(H2,18,24,25)(H,20,21,22,23)
PDB

UniProtKB/TrEMBL

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UniChem
US Patent
n/an/a 104n/an/an/an/a7.0n/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)
BDBM262251
PNG
(3-[1-(pyridin-4-ylmethyl)- 1H-pyrazol-4-yl]-2-(2H-...)
Show SMILES NS(=O)(=O)c1cccc(-c2cnn(Cc3ccncc3)c2)c1-c1nn[nH]n1
Show InChI InChI=1S/C16H14N8O2S/c17-27(25,26)14-3-1-2-13(15(14)16-20-22-23-21-16)12-8-19-24(10-12)9-11-4-6-18-7-5-11/h1-8,10H,9H2,(H2,17,25,26)(H,20,21,22,23)
PDB

UniProtKB/TrEMBL

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UniChem
US Patent
n/an/a 940n/an/an/an/a7.0n/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)
BDBM262252
PNG
(3-[1-(pyridin-2-ylmethyl)- 1H-pyrazol-4-yl]-2-(2H-...)
Show SMILES NS(=O)(=O)c1cccc(-c2cnn(Cc3ccccn3)c2)c1-c1nn[nH]n1
Show InChI InChI=1S/C16H14N8O2S/c17-27(25,26)14-6-3-5-13(15(14)16-20-22-23-21-16)11-8-19-24(9-11)10-12-4-1-2-7-18-12/h1-9H,10H2,(H2,17,25,26)(H,20,21,22,23)
PDB

UniProtKB/TrEMBL

GoogleScholar
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PC sid
UniChem
US Patent
n/an/a 112n/an/an/an/a7.0n/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)
BDBM262253
PNG
(3-[2-(2-methyl-1H-imidazol- 1-yl)-1,3-thiazol-4-yl...)
Show SMILES Cc1nccn1-c1nc(cs1)-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
Show InChI InChI=1S/C14H12N8O2S2/c1-8-16-5-6-22(8)14-17-10(7-25-14)9-3-2-4-11(26(15,23)24)12(9)13-18-20-21-19-13/h2-7H,1H3,(H2,15,23,24)(H,18,19,20,21)
PDB

UniProtKB/TrEMBL

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PC sid
UniChem
US Patent
n/an/a 524n/an/an/an/a7.0n/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)
BDBM262254
PNG
(3-[5-(morpholin-4- ylmethyl)thiophen-3-yl]-2- (2H-...)
Show SMILES NS(=O)(=O)c1cccc(-c2csc(CN3CCOCC3)c2)c1-c1nn[nH]n1
Show InChI InChI=1S/C16H18N6O3S2/c17-27(23,24)14-3-1-2-13(15(14)16-18-20-21-19-16)11-8-12(26-10-11)9-22-4-6-25-7-5-22/h1-3,8,10H,4-7,9H2,(H2,17,23,24)(H,18,19,20,21)
PDB

UniProtKB/TrEMBL

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UniChem
US Patent
n/an/a 2.64E+3n/an/an/an/a7.0n/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)
BDBM262255
PNG
(3-(5H-pyrrolo[2,3-b]pyrazin- 7-yl)-2-(2H-tetrazol-...)
Show SMILES NS(=O)(=O)c1cccc(-c2c[nH]c3nccnc23)c1-c1nn[nH]n1
Show InChI InChI=1S/C13H8N8O2S/c14-24(22,23)9-3-1-2-7(10(9)12-18-20-21-19-12)8-6-17-13-11(8)15-4-5-16-13/h1-6H,(H2,14,22,23)/b8-7+
PDB

UniProtKB/TrEMBL

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PC sid
UniChem
US Patent
n/an/a 107n/an/an/an/a7.0n/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)
BDBM262256
PNG
(3-pyrazolo[1,5-b]pyridazin- 3-yl-2-(2H-tetrazol-5-...)
Show SMILES NS(=O)(=O)c1cccc(-c2cnn3ncccc23)c1-c1nn[nH]n1
Show InChI InChI=1S/C13H10N8O2S/c14-24(22,23)11-5-1-3-8(12(11)13-17-19-20-18-13)9-7-16-21-10(9)4-2-6-15-21/h1-7H,(H2,14,22,23)(H,17,18,19,20)
PDB

UniProtKB/TrEMBL

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PC sid
UniChem
US Patent
n/an/a 70.4n/an/an/an/a7.0n/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)
BDBM262257
PNG
(3-[1-(1-methylethyl)-1H- pyrazol-5-yl]-2-(2H-tetra...)
Show SMILES CC(C)n1nccc1-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
Show InChI InChI=1S/C13H15N7O2S/c1-8(2)20-10(6-7-15-20)9-4-3-5-11(23(14,21)22)12(9)13-16-18-19-17-13/h3-8H,1-2H3,(H2,14,21,22)(H,16,17,18,19)
PDB

UniProtKB/TrEMBL

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PC sid
UniChem
US Patent
n/an/a 962n/an/an/an/a7.0n/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)
BDBM262258
PNG
(3-(4,5,6,7- tetrahydropyrazolo[1,5- a]pyridin-3-yl...)
Show SMILES NS(=O)(=O)c1cccc(-c2cnn3CCCCc23)c1-c1nn[nH]n1
Show InChI InChI=1S/C14H15N7O2S/c15-24(22,23)12-6-3-4-9(13(12)14-17-19-20-18-14)10-8-16-21-7-2-1-5-11(10)21/h3-4,6,8H,1-2,5,7H2,(H2,15,22,23)(H,17,18,19,20)
PDB

UniProtKB/TrEMBL

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PC sid
UniChem
US Patent
n/an/a 194n/an/an/an/a7.0n/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)
BDBM262259
PNG
(3-(2-methylthiophen-3-yl)-2- (2H-tetrazol-5- yl)be...)
Show SMILES Cc1sccc1-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
Show InChI InChI=1S/C12H11N5O2S2/c1-7-8(5-6-20-7)9-3-2-4-10(21(13,18)19)11(9)12-14-16-17-15-12/h2-6H,1H3,(H2,13,18,19)(H,14,15,16,17)
PDB

UniProtKB/TrEMBL

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PC sid
UniChem
US Patent
n/an/a 45n/an/an/an/a7.0n/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)
BDBM262260
PNG
(3-[1-(phensulfonyl)-1H- pyrrolo[2,3-b]pyridin-3-yl...)
Show SMILES NS(=O)(=O)c1cccc(-c2cn(c3ncccc23)S(=O)(=O)c2ccccc2)c1-c1nn[nH]n1
Show InChI InChI=1S/C20H15N7O4S2/c21-32(28,29)17-10-4-8-14(18(17)19-23-25-26-24-19)16-12-27(20-15(16)9-5-11-22-20)33(30,31)13-6-2-1-3-7-13/h1-12H,(H2,21,28,29)(H,23,24,25,26)
PDB

UniProtKB/TrEMBL

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PC sid
UniChem
US Patent
n/an/a 0.637n/an/an/an/a7.0n/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)
BDBM262261
PNG
(US9708336, 110 | ethyl 3-{4-[3-sulfamoyl-2- (2H-te...)
Show SMILES CCOC(=O)CCn1cc(cn1)-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
Show InChI InChI=1S/C15H17N7O4S/c1-2-26-13(23)6-7-22-9-10(8-17-22)11-4-3-5-12(27(16,24)25)14(11)15-18-20-21-19-15/h3-5,8-9H,2,6-7H2,1H3,(H2,16,24,25)(H,18,19,20,21)
PDB

UniProtKB/TrEMBL

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US Patent
n/an/a 1.36E+3n/an/an/an/a7.0n/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)
BDBM262262
PNG
(3-(3-methyl- [1,2,4]triazolo[4,3-a]pyridin-6- yl)-...)
Show SMILES Cc1nnc2ccc(cn12)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
Show InChI InChI=1S/C14H12N8O2S/c1-8-16-17-12-6-5-9(7-22(8)12)10-3-2-4-11(25(15,23)24)13(10)14-18-20-21-19-14/h2-7H,1H3,(H2,15,23,24)(H,18,19,20,21)
PDB

UniProtKB/TrEMBL

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PC sid
UniChem
US Patent
n/an/a 313n/an/an/an/a7.0n/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)
BDBM262263
PNG
(3-(7-methylimidazo[1,2-a] pyridin-6-yl)-2-(1H-tetr...)
Show SMILES Cc1cc2nccn2cc1-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
Show InChI InChI=1S/C15H13N7O2S/c1-9-7-13-17-5-6-22(13)8-11(9)10-3-2-4-12(25(16,23)24)14(10)15-18-20-21-19-15/h2-8H,1H3,(H2,16,23,24)(H,18,19,20,21)
PDB

UniProtKB/TrEMBL

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UniChem
US Patent
n/an/a 54.4n/an/an/an/a7.0n/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)
BDBM262264
PNG
(3-(2-(4-methylpiperazin-1- yl)pyridin-4-yl)-2-(1H-...)
Show SMILES CN1CCN(CC1)c1cc(ccn1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
Show InChI InChI=1S/C17H20N8O2S/c1-24-7-9-25(10-8-24)15-11-12(5-6-19-15)13-3-2-4-14(28(18,26)27)16(13)17-20-22-23-21-17/h2-6,11H,7-10H2,1H3,(H2,18,26,27)(H,20,21,22,23)
PDB

UniProtKB/TrEMBL

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UniChem
US Patent
n/an/a 1.24E+3n/an/an/an/a7.0n/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)
BDBM262265
PNG
(3-(6-(1H-pyrazol-1-yl)pyridin- 3-yl)-2-(1H-tetrazo...)
Show SMILES NS(=O)(=O)c1cccc(-c2ccc(nc2)-n2cccn2)c1-c1nnn[nH]1
Show InChI InChI=1S/C15H12N8O2S/c16-26(24,25)12-4-1-3-11(14(12)15-19-21-22-20-15)10-5-6-13(17-9-10)23-8-2-7-18-23/h1-9H,(H2,16,24,25)(H,19,20,21,22)
PDB

UniProtKB/TrEMBL

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PC sid
UniChem
US Patent
n/an/a 135n/an/an/an/a7.0n/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)
BDBM262266
PNG
(2-(1H-tetrazol-5-yl)-[1,1'- biphenyl]-3,3'-disulfo...)
Show SMILES NS(=O)(=O)c1cccc(c1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
Show InChI InChI=1S/C13H12N6O4S2/c14-24(20,21)9-4-1-3-8(7-9)10-5-2-6-11(25(15,22)23)12(10)13-16-18-19-17-13/h1-7H,(H2,14,20,21)(H2,15,22,23)(H,16,17,18,19)
PDB

UniProtKB/TrEMBL

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US Patent
n/an/a 492n/an/an/an/a7.0n/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)
BDBM262267
PNG
(3'-(hydroxymethyl)-2-(1H- tetrazol-5-yl)-[1,1'-bip...)
Show SMILES NS(=O)(=O)c1cccc(-c2cccc(CO)c2)c1-c1nnn[nH]1
Show InChI InChI=1S/C14H13N5O3S/c15-23(21,22)12-6-2-5-11(13(12)14-16-18-19-17-14)10-4-1-3-9(7-10)8-20/h1-7,20H,8H2,(H2,15,21,22)(H,16,17,18,19)
PDB

UniProtKB/TrEMBL

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PC sid
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US Patent
n/an/a 261n/an/an/an/a7.0n/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)
BDBM262268
PNG
(3-(1-oxoisoindolin-4-yl)-2- (1H-tetrazol-5- yl)ben...)
Show SMILES NS(=O)(=O)c1cccc(-c2cccc3C(=O)NCc23)c1-c1nnn[nH]1
Show InChI InChI=1S/C15H12N6O3S/c16-25(23,24)12-6-2-4-9(13(12)14-18-20-21-19-14)8-3-1-5-10-11(8)7-17-15(10)22/h1-6H,7H2,(H,17,22)(H2,16,23,24)(H,18,19,20,21)
PDB

UniProtKB/TrEMBL

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US Patent
n/an/a 4.99n/an/an/an/a7.0n/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)
BDBM262269
PNG
(3-(1,2,3,4-tetrahydroquinolin- 8-yl)-2-(1H-tetrazo...)
Show SMILES NS(=O)(=O)c1cccc(-c2cccc3CCCNc23)c1-c1nnn[nH]1
Show InChI InChI=1S/C16H16N6O2S/c17-25(23,24)13-8-2-6-11(14(13)16-19-21-22-20-16)12-7-1-4-10-5-3-9-18-15(10)12/h1-2,4,6-8,18H,3,5,9H2,(H2,17,23,24)(H,19,20,21,22)
PDB

UniProtKB/TrEMBL

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PC sid
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US Patent
n/an/a 187n/an/an/an/a7.0n/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)
BDBM262270
PNG
(3-(2-(piperidin-1-yl)pyrimidin- 5-yl)-2-(1H-tetraz...)
Show SMILES NS(=O)(=O)c1cccc(-c2cnc(nc2)N2CCCCC2)c1-c1nnn[nH]1
Show InChI InChI=1S/C16H18N8O2S/c17-27(25,26)13-6-4-5-12(14(13)15-20-22-23-21-15)11-9-18-16(19-10-11)24-7-2-1-3-8-24/h4-6,9-10H,1-3,7-8H2,(H2,17,25,26)(H,20,21,22,23)
PDB

UniProtKB/TrEMBL

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PC sid
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US Patent
n/an/a 249n/an/an/an/a7.0n/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)
BDBM262271
PNG
(3-(2- (cyclopropylamino)pyrimidin- 5-yl)-2-(1H-tet...)
Show SMILES NS(=O)(=O)c1cccc(-c2cnc(NC3CC3)nc2)c1-c1nnn[nH]1
Show InChI InChI=1S/C14H14N8O2S/c15-25(23,24)11-3-1-2-10(12(11)13-19-21-22-20-13)8-6-16-14(17-7-8)18-9-4-5-9/h1-3,6-7,9H,4-5H2,(H2,15,23,24)(H,16,17,18)(H,19,20,21,22)
PDB

UniProtKB/TrEMBL

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UniChem
US Patent
n/an/a 309n/an/an/an/a7.0n/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)
BDBM262597
PNG
(3-(3′-sulfamoyl-2′-(2H-tetrazol-5-yl)-...)
Show SMILES NC(=O)CCc1ccc(cc1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H15F3N6O3S/c18-17(19,20)12-7-6-11(10-4-1-9(2-5-10)3-8-13(21)27)14(15(12)30(22,28)29)16-23-25-26-24-16/h1-2,4-7H,3,8H2,(H2,21,27)(H2,22,28,29)(H,23,24,25,26)
PDB

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n/an/a 0.815n/an/an/an/a7.0n/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)
BDBM262598
PNG
(3-(4-(4-(hydroxymethyl)phenyl)piperidin-1-yl)-2-(2...)
Show SMILES NS(=O)(=O)c1c(ccc(N2CCC(CC2)c2ccc(CO)cc2)c1-c1nn[nH]n1)C(F)(F)F
Show InChI InChI=1S/C20H21F3N6O3S/c21-20(22,23)15-5-6-16(17(18(15)33(24,31)32)19-25-27-28-26-19)29-9-7-14(8-10-29)13-3-1-12(11-30)2-4-13/h1-6,14,30H,7-11H2,(H2,24,31,32)(H,25,26,27,28)
PDB

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n/an/a 1.80n/an/an/an/a7.0n/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)
BDBM262599
PNG
(6-(((1s,4s)-4-aminocyclohexyl)methyl)-3-(quinolin-...)
Show SMILES N[C@H]1CCC(Cc2ccc(-c3ccnc4ccccc34)c(-c3nn[nH]n3)c2S(N)(=O)=O)CC1
Show InChI InChI=1S/C23H25N7O2S/c24-16-8-5-14(6-9-16)13-15-7-10-19(17-11-12-26-20-4-2-1-3-18(17)20)21(22(15)33(25,31)32)23-27-29-30-28-23/h1-4,7,10-12,14,16H,5-6,8-9,13,24H2,(H2,25,31,32)(H,27,28,29,30)/t14?,16-
PDB

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n/an/a 0.476n/an/an/an/a7.0n/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)
BDBM262600
PNG
(6-(2-(piperidin-4-yl)ethyl)-3-(quinolin-4-yl)-2-(2...)
Show SMILES NS(=O)(=O)c1c(CCC2CCNCC2)ccc(-c2ccnc3ccccc23)c1-c1nn[nH]n1
Show InChI InChI=1S/C23H25N7O2S/c24-33(31,32)22-16(6-5-15-9-12-25-13-10-15)7-8-19(21(22)23-27-29-30-28-23)17-11-14-26-20-4-2-1-3-18(17)20/h1-4,7-8,11,14-15,25H,5-6,9-10,12-13H2,(H2,24,31,32)(H,27,28,29,30)
PDB

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n/an/a 1.98n/an/an/an/a7.0n/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)
BDBM262601
PNG
(6-(2-cyanoethyl)-3-(quinolin-4-yl)-2-(2H-tetrazol-...)
Show SMILES NS(=O)(=O)c1c(CCC#N)ccc(-c2ccnc3ccccc23)c1-c1nn[nH]n1
Show InChI InChI=1S/C19H15N7O2S/c20-10-3-4-12-7-8-15(13-9-11-22-16-6-2-1-5-14(13)16)17(18(12)29(21,27)28)19-23-25-26-24-19/h1-2,5-9,11H,3-4H2,(H2,21,27,28)(H,23,24,25,26)
PDB

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n/an/a 0.665n/an/an/an/a7.0n/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)
BDBM262602
PNG
(6-cyclohexyl-3-(quinolin-4-yl)-2-(2H-tetrazol-5-yl...)
Show SMILES NS(=O)(=O)c1c(ccc(-c2ccnc3ccccc23)c1-c1nn[nH]n1)C1CCCCC1
Show InChI InChI=1S/C22H22N6O2S/c23-31(29,30)21-15(14-6-2-1-3-7-14)10-11-18(20(21)22-25-27-28-26-22)16-12-13-24-19-9-5-4-8-17(16)19/h4-5,8-14H,1-3,6-7H2,(H2,23,29,30)(H,25,26,27,28)
PDB

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n/an/a 19.6n/an/an/an/a7.0n/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)
BDBM262602
PNG
(6-cyclohexyl-3-(quinolin-4-yl)-2-(2H-tetrazol-5-yl...)
Show SMILES NS(=O)(=O)c1c(ccc(-c2ccnc3ccccc23)c1-c1nn[nH]n1)C1CCCCC1
Show InChI InChI=1S/C22H22N6O2S/c23-31(29,30)21-15(14-6-2-1-3-7-14)10-11-18(20(21)22-25-27-28-26-22)16-12-13-24-19-9-5-4-8-17(16)19/h4-5,8-14H,1-3,6-7H2,(H2,23,29,30)(H,25,26,27,28)
PDB

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n/an/a 1.89n/an/an/an/a7.0n/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)
BDBM262603
PNG
(4-(((1s,4s)-4-aminocyclohexyl)methyl)-4′-(pi...)
Show SMILES N[C@H]1CCC(Cc2ccc(-c3ccc(cc3)C3CCNCC3)c(-c3nn[nH]n3)c2S(N)(=O)=O)CC1
Show InChI InChI=1S/C25H33N7O2S/c26-21-8-1-16(2-9-21)15-20-7-10-22(23(24(20)35(27,33)34)25-29-31-32-30-25)19-5-3-17(4-6-19)18-11-13-28-14-12-18/h3-7,10,16,18,21,28H,1-2,8-9,11-15,26H2,(H2,27,33,34)(H,29,30,31,32)/t16?,21-
PDB

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n/an/a 2.83n/an/an/an/a7.0n/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)
BDBM262604
PNG
(4′-(piperidin-4-yl)-4-(piperidin-4-ylmethyl)...)
Show SMILES NS(=O)(=O)c1c(CC2CCNCC2)ccc(-c2ccc(cc2)C2CCNCC2)c1-c1nn[nH]n1
Show InChI InChI=1S/C24H31N7O2S/c25-34(32,33)23-20(15-16-7-11-26-12-8-16)5-6-21(22(23)24-28-30-31-29-24)19-3-1-17(2-4-19)18-9-13-27-14-10-18/h1-6,16,18,26-27H,7-15H2,(H2,25,32,33)(H,28,29,30,31)
PDB

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n/an/a 3.44n/an/an/an/a7.0n/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)
BDBM262605
PNG
(4-(((1r,4r)-4-(aminomethyl)cyclohexyl)methyl)-4...)
Show SMILES NC[C@H]1CC[C@H](Cc2ccc(-c3ccc(cc3)C3CCNCC3)c(-c3nn[nH]n3)c2S(N)(=O)=O)CC1
Show InChI InChI=1S/C26H35N7O2S/c27-16-18-3-1-17(2-4-18)15-22-9-10-23(24(25(22)36(28,34)35)26-30-32-33-31-26)21-7-5-19(6-8-21)20-11-13-29-14-12-20/h5-10,17-18,20,29H,1-4,11-16,27H2,(H2,28,34,35)(H,30,31,32,33)/t17-,18-
PDB

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n/an/a 0.803n/an/an/an/a7.0n/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)
BDBM262606
PNG
(4′-(piperidin-4-yl)-2-(2H-tetrazol-5-yl)-4-(...)
Show SMILES NS(=O)(=O)c1c(CC(F)(F)F)ccc(-c2ccc(cc2)C2CCNCC2)c1-c1nn[nH]n1
Show InChI InChI=1S/C20H21F3N6O2S/c21-20(22,23)11-15-5-6-16(17(18(15)32(24,30)31)19-26-28-29-27-19)14-3-1-12(2-4-14)13-7-9-25-10-8-13/h1-6,13,25H,7-11H2,(H2,24,30,31)(H,26,27,28,29)
PDB

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n/an/a 2.12n/an/an/an/a7.0n/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)
BDBM262607
PNG
(4-(4-aminocyclohexyl)-4′-(piperidin-4-yl)-2-...)
Show SMILES NC1CCC(CC1)c1ccc(-c2ccc(cc2)C2CCNCC2)c(-c2nn[nH]n2)c1S(N)(=O)=O
Show InChI InChI=1S/C24H31N7O2S/c25-19-7-5-18(6-8-19)21-10-9-20(22(23(21)34(26,32)33)24-28-30-31-29-24)17-3-1-15(2-4-17)16-11-13-27-14-12-16/h1-4,9-10,16,18-19,27H,5-8,11-14,25H2,(H2,26,32,33)(H,28,29,30,31)
PDB

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n/an/a 112n/an/an/an/a7.0n/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)
BDBM262607
PNG
(4-(4-aminocyclohexyl)-4′-(piperidin-4-yl)-2-...)
Show SMILES NC1CCC(CC1)c1ccc(-c2ccc(cc2)C2CCNCC2)c(-c2nn[nH]n2)c1S(N)(=O)=O
Show InChI InChI=1S/C24H31N7O2S/c25-19-7-5-18(6-8-19)21-10-9-20(22(23(21)34(26,32)33)24-28-30-31-29-24)17-3-1-15(2-4-17)16-11-13-27-14-12-16/h1-4,9-10,16,18-19,27H,5-8,11-14,25H2,(H2,26,32,33)(H,28,29,30,31)
PDB

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n/an/a 10.4n/an/an/an/a7.0n/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)
BDBM262609
PNG
(4-(2-((1r,4s)-4- aminocyclohexyl)ethyl)-4′-(...)
Show SMILES N[C@H]1CC[C@H](CCc2ccc(-c3ccc(cc3)C3CCNCC3)c(-c3nn[nH]n3)c2S(N)(=O)=O)CC1
Show InChI InChI=1S/C26H35N7O2S/c27-22-10-2-17(3-11-22)1-4-21-9-12-23(24(25(21)36(28,34)35)26-30-32-33-31-26)20-7-5-18(6-8-20)19-13-15-29-16-14-19/h5-9,12,17,19,22,29H,1-4,10-11,13-16,27H2,(H2,28,34,35)(H,30,31,32,33)/t17-,22-
PDB

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n/an/a 1.67n/an/an/an/a7.0n/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)
BDBM262610
PNG
(4-(2-((1s,4r)-4- aminocyclohexyl)ethyl)-4′-(...)
Show SMILES N[C@H]1CC[C@@H](CCc2ccc(-c3ccc(cc3)C3CCNCC3)c(-c3nn[nH]n3)c2S(N)(=O)=O)CC1
Show InChI InChI=1S/C26H35N7O2S/c27-22-10-2-17(3-11-22)1-4-21-9-12-23(24(25(21)36(28,34)35)26-30-32-33-31-26)20-7-5-18(6-8-20)19-13-15-29-16-14-19/h5-9,12,17,19,22,29H,1-4,10-11,13-16,27H2,(H2,28,34,35)(H,30,31,32,33)/t17-,22+
PDB

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n/an/a 8.13n/an/an/an/a7.0n/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)
BDBM262611
PNG
(4-(((1r,4r)-4-aminocyclohexyl)methyl)-4′-(pi...)
Show SMILES N[C@H]1CCC(Cc2ccc(-c3ccc(cc3)C3CCNCC3)c(-c3nn[nH]n3)c2S(N)(=O)=O)CC1
Show InChI InChI=1S/C25H33N7O2S/c26-21-8-1-16(2-9-21)15-20-7-10-22(23(24(20)35(27,33)34)25-29-31-32-30-25)19-5-3-17(4-6-19)18-11-13-28-14-12-18/h3-7,10,16,18,21,28H,1-2,8-9,11-15,26H2,(H2,27,33,34)(H,29,30,31,32)/t16?,21-
PDB

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n/an/a 4.42n/an/an/an/a7.0n/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)
BDBM262612
PNG
(4-((4-fluoropiperidin-4-yl)methyl)-4′-(piper...)
Show SMILES NS(=O)(=O)c1c(CC2(F)CCNCC2)ccc(-c2ccc(cc2)C2CCNCC2)c1-c1nn[nH]n1
Show InChI InChI=1S/C24H30FN7O2S/c25-24(9-13-28-14-10-24)15-19-5-6-20(21(22(19)35(26,33)34)23-29-31-32-30-23)18-3-1-16(2-4-18)17-7-11-27-12-8-17/h1-6,17,27-28H,7-15H2,(H2,26,33,34)(H,29,30,31,32)
PDB

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n/an/a 1.95n/an/an/an/a7.0n/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)
BDBM262613
PNG
(4-((3,3-difluoropiperidin-4-yl)methyl)-4′-(p...)
Show SMILES NS(=O)(=O)c1c(CC2CCNCC2(F)F)ccc(-c2ccc(cc2)C2CCNCC2)c1-c1nn[nH]n1
Show InChI InChI=1S/C24H29F2N7O2S/c25-24(26)14-29-12-9-19(24)13-18-5-6-20(21(22(18)36(27,34)35)23-30-32-33-31-23)17-3-1-15(2-4-17)16-7-10-28-11-8-16/h1-6,16,19,28-29H,7-14H2,(H2,27,34,35)(H,30,31,32,33)
PDB

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n/an/a 1.64n/an/an/an/a7.0n/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)
BDBM262614
PNG
(4-(2-(azetidin-3-yl)ethyl)-4′-(piperidin-4-y...)
Show SMILES NS(=O)(=O)c1c(CCC2CNC2)ccc(-c2ccc(cc2)C2CCNCC2)c1-c1nn[nH]n1
Show InChI InChI=1S/C23H29N7O2S/c24-33(31,32)22-19(2-1-15-13-26-14-15)7-8-20(21(22)23-27-29-30-28-23)18-5-3-16(4-6-18)17-9-11-25-12-10-17/h3-8,15,17,25-26H,1-2,9-14H2,(H2,24,31,32)(H,27,28,29,30)
PDB

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n/an/a 3.72n/an/an/an/a7.0n/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)
BDBM262615
PNG
(4-((3-fluoropyrrolidin-3-yl)methyl)-4′-(pipe...)
Show SMILES NS(=O)(=O)c1c(CC2(F)CCNC2)ccc(-c2ccc(cc2)C2CCNCC2)c1-c1nn[nH]n1
Show InChI InChI=1S/C23H28FN7O2S/c24-23(9-12-27-14-23)13-18-5-6-19(20(21(18)34(25,32)33)22-28-30-31-29-22)17-3-1-15(2-4-17)16-7-10-26-11-8-16/h1-6,16,26-27H,7-14H2,(H2,25,32,33)(H,28,29,30,31)
PDB

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n/an/a 4.75n/an/an/an/a7.0n/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)
BDBM262616
PNG
(4′-(piperidin-4-yl)-4-(pyrrolidin-3-ylmethyl...)
Show SMILES NS(=O)(=O)c1c(CC2CCNC2)ccc(-c2ccc(cc2)C2CCNCC2)c1-c1nn[nH]n1
Show InChI InChI=1S/C23H29N7O2S/c24-33(31,32)22-19(13-15-7-10-26-14-15)5-6-20(21(22)23-27-29-30-28-23)18-3-1-16(2-4-18)17-8-11-25-12-9-17/h1-6,15,17,25-26H,7-14H2,(H2,24,31,32)(H,27,28,29,30)
PDB

UniProtKB/TrEMBL

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UniChem
US Patent
n/an/a 3.81n/an/an/an/a7.0n/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)
BDBM262770
PNG
(N-[1-[5-[3-sulfamoyl-2-(1H- tetrazol-5-yl)phenyl]-...)
Show SMILES CC(=O)NC1CCN(C1)c1ccc(cn1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
Show InChI InChI=1S/C18H20N8O3S/c1-11(27)21-13-7-8-26(10-13)16-6-5-12(9-20-16)14-3-2-4-15(30(19,28)29)17(14)18-22-24-25-23-18/h2-6,9,13H,7-8,10H2,1H3,(H,21,27)(H2,19,28,29)(H,22,23,24,25)
PDB

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UniChem
US Patent
n/an/a 207n/an/an/an/a7.0n/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)
BDBM262771
PNG
(3-[6-[3-(1-hydroxy-1-methyl- ethyl)azetidin-1-yl]-...)
Show SMILES CC(C)(O)C1CN(C1)c1ccc(cn1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
Show InChI InChI=1S/C18H21N7O3S/c1-18(2,26)12-9-25(10-12)15-7-6-11(8-20-15)13-4-3-5-14(29(19,27)28)16(13)17-21-23-24-22-17/h3-8,12,26H,9-10H2,1-2H3,(H2,19,27,28)(H,21,22,23,24)
PDB

UniProtKB/TrEMBL

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UniChem
US Patent
n/an/a 559n/an/an/an/a7.0n/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)
BDBM262772
PNG
(3-[6-[3-(dimethylamino)-3- methyl-azetidin-1-yl]-3...)
Show SMILES CN(C)C1(C)CN(C1)c1ccc(cn1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
Show InChI InChI=1S/C18H22N8O2S/c1-18(25(2)3)10-26(11-18)15-8-7-12(9-20-15)13-5-4-6-14(29(19,27)28)16(13)17-21-23-24-22-17/h4-9H,10-11H2,1-3H3,(H2,19,27,28)(H,21,22,23,24)
PDB

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US Patent
n/an/a 1.35E+3n/an/an/an/a7.0n/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)
BDBM262773
PNG
(3-[6-[3-(1-hydroxy-1-methyl- ethyl)pyrrolidin-1-yl...)
Show SMILES CC(C)(O)C1CCC(N1)c1ccc(cn1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
Show InChI InChI=1S/C19H23N7O3S/c1-19(2,27)16-9-8-14(22-16)13-7-6-11(10-21-13)12-4-3-5-15(30(20,28)29)17(12)18-23-25-26-24-18/h3-7,10,14,16,22,27H,8-9H2,1-2H3,(H2,20,28,29)(H,23,24,25,26)
PDB

UniProtKB/TrEMBL

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UniChem
US Patent
n/an/a 356n/an/an/an/a7.0n/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)
BDBM262774
PNG
(3-[6-[3- (dimethylamino)pyrrolidin-1- yl]-3-pyridy...)
Show SMILES CN(C)C1CCN(C1)c1ccc(cn1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
Show InChI InChI=1S/C18H22N8O2S/c1-25(2)13-8-9-26(11-13)16-7-6-12(10-20-16)14-4-3-5-15(29(19,27)28)17(14)18-21-23-24-22-18/h3-7,10,13H,8-9,11H2,1-2H3,(H2,19,27,28)(H,21,22,23,24)
PDB

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n/an/a 830n/an/an/an/a7.0n/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)
BDBM262775
PNG
(3-[6-(pyrrolidin-3-ylamino)-3- pyridyl]-2-(1H-tetr...)
Show SMILES NS(=O)(=O)c1cccc(-c2ccc(NC3CCNC3)nc2)c1-c1nnn[nH]1
Show InChI InChI=1S/C16H18N8O2S/c17-27(25,26)13-3-1-2-12(15(13)16-21-23-24-22-16)10-4-5-14(19-8-10)20-11-6-7-18-9-11/h1-5,8,11,18H,6-7,9H2,(H,19,20)(H2,17,25,26)(H,21,22,23,24)
PDB

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US Patent
n/an/a 164n/an/an/an/a7.0n/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)
BDBM262776
PNG
(3-[6-[methyl(2-pyrrolidin-1- ylethyl)amino]-3-pyri...)
Show SMILES CN(CCN1CCCC1)c1ccc(cn1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
Show InChI InChI=1S/C19H24N8O2S/c1-26(11-12-27-9-2-3-10-27)17-8-7-14(13-21-17)15-5-4-6-16(30(20,28)29)18(15)19-22-24-25-23-19/h4-8,13H,2-3,9-12H2,1H3,(H2,20,28,29)(H,22,23,24,25)
PDB

UniProtKB/TrEMBL

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UniChem
US Patent
n/an/a 668n/an/an/an/a7.0n/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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