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Compile Data Set for Download or QSAR

Found 382 hits Enz. Inhib. hit(s) with Target = 'VIM-1 protein'   
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
VIM-1 protein


(Pseudomonas aeruginosa)		BDBM368120
PNG
(3-(2-(2-amino-1,1- difluoroethyl)-1H- benzo[d]imid...)
Show SMILES NCCS(=O)(=O)c1ccc(-c2cccc3[nH]c(nc23)C(F)(F)CN)c(-c2nn[nH]n2)c1S(N)(=O)=O
Show InChI InChI=1S/C18H19F2N9O4S2/c19-18(20,8-22)17-24-11-3-1-2-10(14(11)25-17)9-4-5-12(34(30,31)7-6-21)15(35(23,32)33)13(9)16-26-28-29-27-16/h1-5H,6-8,21-22H2,(H,24,25)(H2,23,32,33)(H,26,27,28,29)
PDB

UniProtKB/TrEMBL

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n/an/a 0.0310n/an/an/an/an/an/a



Abbott Laboratories



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 ...

J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q2Z60RCD
More data for this
Ligand-Target Pair
VIM-1 protein


(Pseudomonas aeruginosa)		BDBM367898
PNG
(6-(2-aminoethylsulfonyl)-2-(2H-tetrazol-5-yl)-3-(2...)
Show SMILES NCCS(=O)(=O)c1ccc(-c2cccc3sc(NC(N)=O)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
Show InChI InChI=1S/C17H17N9O5S3/c18-6-7-33(28,29)11-5-4-8(12(14(11)34(20,30)31)15-23-25-26-24-15)9-2-1-3-10-13(9)21-17(32-10)22-16(19)27/h1-5H,6-7,18H2,(H2,20,30,31)(H3,19,21,22,27)(H,23,24,25,26)
PDB

UniProtKB/TrEMBL

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n/an/a 0.0860n/an/an/an/an/an/a



Abbott Laboratories



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 ...

J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q2Z60RCD
More data for this
Ligand-Target Pair
VIM-1 protein


(Pseudomonas aeruginosa)		BDBM368054
PNG
(4'- (Cyclopropanesulfonamido)- 4-(methylsulfonyl)-...)
Show SMILES CS(=O)(=O)c1ccc(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(-c2nn[nH]n2)c1S(N)(=O)=O
Show InChI InChI=1S/C17H18N6O6S3/c1-30(24,25)14-9-8-13(15(16(14)31(18,26)27)17-19-22-23-20-17)10-2-4-11(5-3-10)21-32(28,29)12-6-7-12/h2-5,8-9,12,21H,6-7H2,1H3,(H2,18,26,27)(H,19,20,22,23)
PDB

UniProtKB/TrEMBL

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n/an/a 0.0870n/an/an/an/an/an/a



Abbott Laboratories



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 ...

J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q2Z60RCD
More data for this
Ligand-Target Pair
VIM-1 protein


(Pseudomonas aeruginosa)		BDBM367836
PNG
(US10227331, Example 23)
Show SMILES Cc1ccc(-c2ccc(c(c2-c2nn[nH]n2)S(N)(=O)=O)S(=O)(=O)CCN)c2nc(N)[nH]c12
Show InChI InChI=1S/C17H19N9O4S2/c1-8-2-3-10(14-13(8)21-17(19)22-14)9-4-5-11(31(27,28)7-6-18)15(32(20,29)30)12(9)16-23-25-26-24-16/h2-5H,6-7,18H2,1H3,(H3,19,21,22)(H2,20,29,30)(H,23,24,25,26)
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Abbott Laboratories



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 ...

J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q2Z60RCD
More data for this
Ligand-Target Pair
VIM-1 protein


(Pseudomonas aeruginosa)		BDBM368108
PNG
(3-(2-amino-4-cyano-1H-benzo[d]imidazol-7-yl)-6-((2...)
Show SMILES NCCS(=O)(=O)c1ccc(-c2ccc(C#N)c3nc(N)[nH]c23)c(-c2nnn[nH]2)c1S(N)(=O)=O
Show InChI InChI=1S/C17H16N10O4S2/c18-5-6-32(28,29)11-4-3-9(12(15(11)33(21,30)31)16-24-26-27-25-16)10-2-1-8(7-19)13-14(10)23-17(20)22-13/h1-4H,5-6,18H2,(H3,20,22,23)(H2,21,30,31)(H,24,25,26,27)
PDB

UniProtKB/TrEMBL

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n/an/a 0.105n/an/an/an/an/an/a



Abbott Laboratories



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 ...

J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q2Z60RCD
More data for this
Ligand-Target Pair
VIM-1 protein


(Pseudomonas aeruginosa)		BDBM367845
PNG
(3-(2-amino-7- methylbenzo[d]thiazol-4- yl)-6-(azet...)
Show SMILES Cc1ccc(-c2ccc(c(c2-c2nn[nH]n2)S(N)(=O)=O)S(=O)(=O)C2CNC2)c2nc(N)sc12
Show InChI InChI=1S/C18H18N8O4S3/c1-8-2-3-11(14-15(8)31-18(19)22-14)10-4-5-12(32(27,28)9-6-21-7-9)16(33(20,29)30)13(10)17-23-25-26-24-17/h2-5,9,21H,6-7H2,1H3,(H2,19,22)(H2,20,29,30)(H,23,24,25,26)
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UniProtKB/TrEMBL

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n/an/a 0.106n/an/an/an/an/an/a



Abbott Laboratories



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 ...

J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q2Z60RCD
More data for this
Ligand-Target Pair
VIM-1 protein


(Pseudomonas aeruginosa)		BDBM368006
PNG
(3-(2-amino-7- methylbenzo[d]thiazol-4-yl)-6- (meth...)
Show SMILES Cc1ccc(-c2ccc(c(c2-c2nn[nH]n2)S(N)(=O)=O)S(C)(=O)=O)c2nc(N)sc12
Show InChI InChI=1S/C16H15N7O4S3/c1-7-3-4-9(12-13(7)28-16(17)19-12)8-5-6-10(29(2,24)25)14(30(18,26)27)11(8)15-20-22-23-21-15/h3-6H,1-2H3,(H2,17,19)(H2,18,26,27)(H,20,21,22,23)
PDB

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n/an/a 0.106n/an/an/an/an/an/a



Abbott Laboratories



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 ...

J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q2Z60RCD
More data for this
Ligand-Target Pair
VIM-1 protein


(Pseudomonas aeruginosa)		BDBM368052
PNG
(3-(2-aminobenzo[d]thiazol- 4-yl)-6-(methylsulfonyl...)
Show SMILES CS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
Show InChI InChI=1S/C15H13N7O4S3/c1-28(23,24)10-6-5-7(8-3-2-4-9-12(8)18-15(16)27-9)11(13(10)29(17,25)26)14-19-21-22-20-14/h2-6H,1H3,(H2,16,18)(H2,17,25,26)(H,19,20,21,22)
PDB

UniProtKB/TrEMBL

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Abbott Laboratories



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 ...

J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q2Z60RCD
More data for this
Ligand-Target Pair
VIM-1 protein


(Pseudomonas aeruginosa)		BDBM367893
PNG
((R)-benzyl tert-butyl (3-((2- (N,N-bis(4- methoxyb...)
Show SMILES COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(ccc(I)c2-c2nnn(Cc3ccc(OC)cc3)n2)S(=O)(=O)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)OCc2ccccc2)cc1 |r|
Show InChI InChI=1S/C47H52IN7O11S2/c1-47(2,3)66-45(56)49-26-36(50-46(57)65-30-35-10-8-7-9-11-35)31-67(58,59)41-25-24-40(48)42(44-51-53-55(52-44)29-34-16-22-39(64-6)23-17-34)43(41)68(60,61)54(27-32-12-18-37(62-4)19-13-32)28-33-14-20-38(63-5)21-15-33/h7-25,36H,26-31H2,1-6H3,(H,49,56)(H,50,57)/t36-/m1/s1
PDB

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Abbott Laboratories



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 ...

J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q2Z60RCD
More data for this
Ligand-Target Pair
VIM-1 protein


(Pseudomonas aeruginosa)		BDBM368057
PNG
(4-(Azetidin-3-ylsulfonyl)-4′-(cyclopropanesu...)
Show SMILES NS(=O)(=O)c1c(ccc(-c2ccc(NS(=O)(=O)C3CC3)cc2)c1-c1nn[nH]n1)S(=O)(=O)C1CNC1
Show InChI InChI=1S/C19H21N7O6S3/c20-34(29,30)18-16(33(27,28)14-9-21-10-14)8-7-15(17(18)19-22-25-26-23-19)11-1-3-12(4-2-11)24-35(31,32)13-5-6-13/h1-4,7-8,13-14,21,24H,5-6,9-10H2,(H2,20,29,30)(H,22,23,25,26)
PDB

UniProtKB/TrEMBL

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Abbott Laboratories



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 ...

J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q2Z60RCD
More data for this
Ligand-Target Pair
VIM-1 protein


(Pseudomonas aeruginosa)		BDBM368001
PNG
(3-(2-amino-7- methylbenzo[d]thiazol-4-yl)-6- ((S)-...)
Show SMILES Cc1ccc(-c2ccc(c(c2-c2nn[nH]n2)S(N)(=O)=O)S(=O)(=O)[C@H]2CCNC2)c2nc(N)sc12 |r|
PDB

UniProtKB/TrEMBL

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Abbott Laboratories



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 ...

J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q2Z60RCD
More data for this
Ligand-Target Pair
VIM-1 protein


(Pseudomonas aeruginosa)		BDBM368046
PNG
(3-(2-aminobenzo[d]thiazol-4-yl)-6-(pyridin-2-ylsul...)
Show SMILES Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)c1ccccn1
Show InChI InChI=1S/C19H14N8O4S3/c20-19-23-16-11(4-3-5-12(16)32-19)10-7-8-13(33(28,29)14-6-1-2-9-22-14)17(34(21,30)31)15(10)18-24-26-27-25-18/h1-9H,(H2,20,23)(H2,21,30,31)(H,24,25,26,27)
PDB

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Abbott Laboratories



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 ...

J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q2Z60RCD
More data for this
Ligand-Target Pair
VIM-1 protein


(Pseudomonas aeruginosa)		BDBM367927
PNG
(3-((4-(benzo[d]thiazol-5- yl)-2-sulfamoyl-3-(1H- t...)
Show SMILES NS(=O)(=O)c1c(ccc(-c2ccc3scnc3c2)c1-c1nnn[nH]1)S(=O)(=O)C1CNC1
Show InChI InChI=1S/C17H15N7O4S3/c18-31(27,28)16-14(30(25,26)10-6-19-7-10)4-2-11(15(16)17-21-23-24-22-17)9-1-3-13-12(5-9)20-8-29-13/h1-5,8,10,19H,6-7H2,(H2,18,27,28)(H,21,22,23,24)
PDB

UniProtKB/TrEMBL

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Abbott Laboratories



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 ...

J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q2Z60RCD
More data for this
Ligand-Target Pair
VIM-1 protein


(Pseudomonas aeruginosa)		BDBM367976
PNG
(2-((2-sulfamoyl-3-(1H- tetrazol-5-yl)-4-(3- (trifl...)
Show SMILES NCCS(=O)(=O)c1ccc(-c2ccc3[nH]nc(c3c2)C(F)(F)F)c(-c2nnn[nH]2)c1S(N)(=O)=O
Show InChI InChI=1S/C17H15F3N8O4S2/c18-17(19,20)15-10-7-8(1-3-11(10)23-24-15)9-2-4-12(33(29,30)6-5-21)14(34(22,31)32)13(9)16-25-27-28-26-16/h1-4,7H,5-6,21H2,(H,23,24)(H2,22,31,32)(H,25,26,27,28)
PDB

UniProtKB/TrEMBL

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Abbott Laboratories



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 ...

J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q2Z60RCD
More data for this
Ligand-Target Pair
VIM-1 protein


(Pseudomonas aeruginosa)		BDBM367846
PNG
(3-(2-amino-4- methylbenzo[d]thiazol-7- yl)-6-(azet...)
Show SMILES Cc1ccc(-c2ccc(c(c2-c2nn[nH]n2)S(N)(=O)=O)S(=O)(=O)C2CNC2)c2sc(N)nc12
Show InChI InChI=1S/C18H18N8O4S3/c1-8-2-3-11(15-14(8)22-18(19)31-15)10-4-5-12(32(27,28)9-6-21-7-9)16(33(20,29)30)13(10)17-23-25-26-24-17/h2-5,9,21H,6-7H2,1H3,(H2,19,22)(H2,20,29,30)(H,23,24,25,26)
PDB

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Abbott Laboratories



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 ...

J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q2Z60RCD
More data for this
Ligand-Target Pair
VIM-1 protein


(Pseudomonas aeruginosa)		BDBM368192
PNG
((R)-6-((3-amino-2-hydroxypropyl)sulfonyl)-3-(2-ami...)
Show SMILES NC[C@@H](O)CS(=O)(=O)c1ccc(-c2cc(I)cc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
Show InChI InChI=1S/C17H16IN9O5S2/c18-7-3-10(14-11(4-7)22-17(20)23-14)9-1-2-12(33(29,30)6-8(28)5-19)15(34(21,31)32)13(9)16-24-26-27-25-16/h1-4,8,28H,5-6,19H2,(H2,20,22)(H2,21,31,32)/b10-9+/t8-/m1/s1
PDB

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Abbott Laboratories



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 ...

J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q2Z60RCD
More data for this
Ligand-Target Pair
VIM-1 protein


(Pseudomonas aeruginosa)		BDBM368049
PNG
(4-(methylsulfonyl)-4′-(piperidin-4-yl)-2-(1H...)
Show SMILES CS(=O)(=O)c1ccc(-c2ccc(cc2)C2CCNCC2)c(-c2nnn[nH]2)c1S(N)(=O)=O
Show InChI InChI=1S/C19H22N6O4S2/c1-30(26,27)16-7-6-15(17(18(16)31(20,28)29)19-22-24-25-23-19)14-4-2-12(3-5-14)13-8-10-21-11-9-13/h2-7,13,21H,8-11H2,1H3,(H2,20,28,29)(H,22,23,24,25)
PDB

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Abbott Laboratories



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 ...

J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q2Z60RCD
More data for this
Ligand-Target Pair
VIM-1 protein


(Pseudomonas aeruginosa)		BDBM367852
PNG
(2-amino-4-(4-(azetidin-3-ylsulfonyl)-3-sulfamoyl-2...)
Show SMILES NC(=O)c1ccc(-c2ccc(c(c2-c2nn[nH]n2)S(N)(=O)=O)S(=O)(=O)C2CNC2)c2nc(N)sc12
Show InChI InChI=1S/C18H17N9O5S3/c19-16(28)10-2-1-9(13-14(10)33-18(20)23-13)8-3-4-11(34(29,30)7-5-22-6-7)15(35(21,31)32)12(8)17-24-26-27-25-17/h1-4,7,22H,5-6H2,(H2,19,28)(H2,20,23)(H2,21,31,32)(H,24,25,26,27)
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Abbott Laboratories



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 ...

J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q2Z60RCD
More data for this
Ligand-Target Pair
VIM-1 protein


(Pseudomonas aeruginosa)		BDBM367906
PNG
(3-(2-aminobenzo[d]thiazol-4-yl)-6-((S)-2-aminoprop...)
Show SMILES C[C@H](N)CS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
PDB

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Abbott Laboratories



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 ...

J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q2Z60RCD
More data for this
Ligand-Target Pair
VIM-1 protein


(Pseudomonas aeruginosa)		BDBM367944
PNG
(3-((4-(isoquinolin-7-yl)- 2-sulfamoyl-3-(1H- tetra...)
Show SMILES NS(=O)(=O)c1c(ccc(-c2ccc3ccncc3c2)c1-c1nnn[nH]1)S(=O)(=O)C1CNC1
Show InChI InChI=1S/C19H17N7O4S2/c20-32(29,30)18-16(31(27,28)14-9-22-10-14)4-3-15(17(18)19-23-25-26-24-19)12-2-1-11-5-6-21-8-13(11)7-12/h1-8,14,22H,9-10H2,(H2,20,29,30)(H,23,24,25,26)
PDB

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Abbott Laboratories



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 ...

J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q2Z60RCD
More data for this
Ligand-Target Pair
VIM-1 protein


(Pseudomonas aeruginosa)		BDBM367895
PNG
(N-(4-(4-(2-aminoethylsulfonyl)-3-sulfamoyl-2-(2H-t...)
Show SMILES CC(=O)Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)CCN
Show InChI InChI=1S/C18H18N8O5S3/c1-9(27)21-18-22-15-11(3-2-4-12(15)32-18)10-5-6-13(33(28,29)8-7-19)16(34(20,30)31)14(10)17-23-25-26-24-17/h2-6H,7-8,19H2,1H3,(H2,20,30,31)(H,21,22,27)(H,23,24,25,26)
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n/an/a 0.131n/an/an/an/an/an/a



Abbott Laboratories



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 ...

J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q2Z60RCD
More data for this
Ligand-Target Pair
VIM-1 protein


(Pseudomonas aeruginosa)		BDBM367900
PNG
(6-(2-aminoethylsulfonyl)-3-(2-(aminomethyl)benzo[d...)
Show SMILES NCCS(=O)(=O)c1ccc(-c2cccc3sc(CN)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
Show InChI InChI=1S/C17H18N8O4S3/c18-6-7-31(26,27)12-5-4-9(10-2-1-3-11-15(10)21-13(8-19)30-11)14(16(12)32(20,28)29)17-22-24-25-23-17/h1-5H,6-8,18-19H2,(H2,20,28,29)(H,22,23,24,25)
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n/an/a 0.133n/an/an/an/an/an/a



Abbott Laboratories



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 ...

J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q2Z60RCD
More data for this
Ligand-Target Pair
VIM-1 protein


(Pseudomonas aeruginosa)		BDBM368094
PNG
(6-((S)-3-amino-2-hydroxypropylsulfonyl)-3-(2-amino...)
Show SMILES NC[C@H](O)CS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
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n/an/a 0.134n/an/an/an/an/an/a



Abbott Laboratories



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 ...

J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q2Z60RCD
More data for this
Ligand-Target Pair
VIM-1 protein


(Pseudomonas aeruginosa)		BDBM367858
PNG
(3-(2-amino-3H-benzo[d]imidazol-4-yl)-6- (1-(methyl...)
Show SMILES CS(=O)(=O)N1CCC(CC1)S(=O)(=O)c1ccc(-c2cccc3nc(N)[nH]c23)c(-c2nn[nH]n2)c1S(N)(=O)=O
Show InChI InChI=1S/C20H23N9O6S3/c1-36(30,31)29-9-7-11(8-10-29)37(32,33)15-6-5-12(13-3-2-4-14-17(13)24-20(21)23-14)16(18(15)38(22,34)35)19-25-27-28-26-19/h2-6,11H,7-10H2,1H3,(H3,21,23,24)(H2,22,34,35)(H,25,26,27,28)
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n/an/a 0.135n/an/an/an/an/an/a



Abbott Laboratories



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 ...

J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q2Z60RCD
More data for this
Ligand-Target Pair
VIM-1 protein


(Pseudomonas aeruginosa)		BDBM367891
PNG
((S)-tert-butyl (1-((2-(N,N-bis(4- methoxybenzyl)su...)
Show SMILES COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(ccc(I)c2-c2nnn(Cc3ccc(OC)cc3)n2)S(=O)(=O)C[C@H](CO)NC(=O)OC(C)(C)C)cc1 |r|
Show InChI InChI=1S/C39H45IN6O10S2/c1-39(2,3)56-38(48)41-29(24-47)25-57(49,50)34-20-19-33(40)35(37-42-44-46(43-37)23-28-11-17-32(55-6)18-12-28)36(34)58(51,52)45(21-26-7-13-30(53-4)14-8-26)22-27-9-15-31(54-5)16-10-27/h7-20,29,47H,21-25H2,1-6H3,(H,41,48)/t29-/m0/s1
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n/an/a 0.136n/an/an/an/an/an/a



Abbott Laboratories



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 ...

J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q2Z60RCD
More data for this
Ligand-Target Pair
VIM-1 protein


(Pseudomonas aeruginosa)		BDBM368137
PNG
(6-((2-aminoethyl)sulfonyl)-3- (quinolin-5-yl)-2-(2...)
Show SMILES NCCS(=O)(=O)c1ccc(-c2cccc3ncccc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
Show InChI InChI=1S/C18H17N7O4S2/c19-8-10-30(26,27)15-7-6-13(11-3-1-5-14-12(11)4-2-9-21-14)16(17(15)31(20,28)29)18-22-24-25-23-18/h1-7,9H,8,10,19H2,(H2,20,28,29)(H,22,23,24,25)
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n/an/a 0.139n/an/an/an/an/an/a



Abbott Laboratories



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 ...

J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q2Z60RCD
More data for this
Ligand-Target Pair
VIM-1 protein


(Pseudomonas aeruginosa)		BDBM368058
PNG
(3-((4′-(Cyclopropanesulfonamido)-3-sulfamoyl...)
Show SMILES NS(=O)(=O)c1c(ccc(-c2ccc(NS(=O)(=O)C3CC3)cc2)c1-c1nn[nH]n1)S(=O)(=O)C1CN(C1)C(=O)NC1CC1
Show InChI InChI=1S/C23H26N8O7S3/c24-40(35,36)21-19(39(33,34)17-11-31(12-17)23(32)25-14-5-6-14)10-9-18(20(21)22-26-29-30-27-22)13-1-3-15(4-2-13)28-41(37,38)16-7-8-16/h1-4,9-10,14,16-17,28H,5-8,11-12H2,(H,25,32)(H2,24,35,36)(H,26,27,29,30)
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Abbott Laboratories



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 ...

J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q2Z60RCD
More data for this
Ligand-Target Pair
VIM-1 protein


(Pseudomonas aeruginosa)		BDBM367987
PNG
(2-((4-(benzo[d]thiazol- 5-yl)-2-sulfamoyl-3 (1H-te...)
Show SMILES NCCS(=O)(=O)c1ccc(-c2ccc3scnc3c2)c(-c2nnn[nH]2)c1S(N)(=O)=O
Show InChI InChI=1S/C16H15N7O4S3/c17-5-6-29(24,25)13-4-2-10(9-1-3-12-11(7-9)19-8-28-12)14(15(13)30(18,26)27)16-20-22-23-21-16/h1-4,7-8H,5-6,17H2,(H2,18,26,27)(H,20,21,22,23)
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n/an/a 0.140n/an/an/an/an/an/a



Abbott Laboratories



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 ...

J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q2Z60RCD
More data for this
Ligand-Target Pair
VIM-1 protein


(Pseudomonas aeruginosa)		BDBM367897
PNG
(US10227331, Example 84 | ethyl 4-(4-(2- aminoethyl...)
Show SMILES CCOC(=O)Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)CCN
Show InChI InChI=1S/C19H20N8O6S3/c1-2-33-19(28)23-18-22-15-11(4-3-5-12(15)34-18)10-6-7-13(35(29,30)9-8-20)16(36(21,31)32)14(10)17-24-26-27-25-17/h3-7H,2,8-9,20H2,1H3,(H2,21,31,32)(H,22,23,28)(H,24,25,26,27)
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n/an/a 0.140n/an/an/an/an/an/a



Abbott Laboratories



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 ...

J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q2Z60RCD
More data for this
Ligand-Target Pair
VIM-1 protein


(Pseudomonas aeruginosa)		BDBM367899
PNG
(4-(4-(2-aminoethyl sulfonyl)-3-sulfamoyl-2-(2H-tet...)
Show SMILES NCCS(=O)(=O)c1ccc(-c2cccc3sc(nc23)C(N)=N)c(-c2nn[nH]n2)c1S(N)(=O)=O
Show InChI InChI=1S/C17H17N9O4S3/c18-6-7-32(27,28)11-5-4-8(12(14(11)33(21,29)30)16-23-25-26-24-16)9-2-1-3-10-13(9)22-17(31-10)15(19)20/h1-5H,6-7,18H2,(H3,19,20)(H2,21,29,30)(H,23,24,25,26)
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n/an/a 0.141n/an/an/an/an/an/a



Abbott Laboratories



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 ...

J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q2Z60RCD
More data for this
Ligand-Target Pair
VIM-1 protein


(Pseudomonas aeruginosa)		BDBM367977
PNG
(2-((4-(4-methoxy-2- (trifluoromethyl)-1H- benzo[d]...)
Show SMILES COc1ccc(-c2ccc(c(c2-c2nnn[nH]2)S(N)(=O)=O)S(=O)(=O)CCN)c2[nH]c(nc12)C(F)(F)F
Show InChI InChI=1S/C18H17F3N8O5S2/c1-34-10-4-2-9(13-14(10)25-17(24-13)18(19,20)21)8-3-5-11(35(30,31)7-6-22)15(36(23,32)33)12(8)16-26-28-29-27-16/h2-5H,6-7,22H2,1H3,(H,24,25)(H2,23,32,33)(H,26,27,28,29)
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n/an/a 0.143n/an/an/an/an/an/a



Abbott Laboratories



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 ...

J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q2Z60RCD
More data for this
Ligand-Target Pair
VIM-1 protein


(Pseudomonas aeruginosa)		BDBM368122
PNG
(6-(azetidin-3-ylsulfonyl)-3-(2-hydroxybenzo[d]thia...)
Show SMILES NS(=O)(=O)c1c(ccc(-c2cccc3sc(O)nc23)c1-c1nn[nH]n1)S(=O)(=O)C1CNC1
Show InChI InChI=1S/C17H15N7O5S3/c18-32(28,29)15-12(31(26,27)8-6-19-7-8)5-4-9(13(15)16-21-23-24-22-16)10-2-1-3-11-14(10)20-17(25)30-11/h1-5,8,19H,6-7H2,(H,20,25)(H2,18,28,29)(H,21,22,23,24)
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n/an/a 0.145n/an/an/an/an/an/a



Abbott Laboratories



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 ...

J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q2Z60RCD
More data for this
Ligand-Target Pair
VIM-1 protein


(Pseudomonas aeruginosa)		BDBM367903
PNG
(6-(2-aminoethylsulfonyl)-3-(2-(methylamino)benzo[d...)
Show SMILES CNc1nc2c(cccc2s1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)CCN
Show InChI InChI=1S/C17H18N8O4S3/c1-20-17-21-14-10(3-2-4-11(14)30-17)9-5-6-12(31(26,27)8-7-18)15(32(19,28)29)13(9)16-22-24-25-23-16/h2-6H,7-8,18H2,1H3,(H,20,21)(H2,19,28,29)(H,22,23,24,25)
PDB

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



Abbott Laboratories



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 ...

J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q2Z60RCD
More data for this
Ligand-Target Pair
VIM-1 protein


(Pseudomonas aeruginosa)		BDBM368029
PNG
(3-(2-amino-[,2,4]triazolo[1,5-a]pyridin-8-yl)-6-(a...)
Show SMILES Nc1nc2c(cccn2n1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)C1CNC1
Show InChI InChI=1S/C16H16N10O4S2/c17-16-20-15-10(2-1-5-26(15)23-16)9-3-4-11(31(27,28)8-6-19-7-8)13(32(18,29)30)12(9)14-21-24-25-22-14/h1-5,8,19H,6-7H2,(H2,17,23)(H2,18,29,30)(H,21,22,24,25)
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n/an/a 0.151n/an/an/an/an/an/a



Abbott Laboratories



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 ...

J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q2Z60RCD
More data for this
Ligand-Target Pair
VIM-1 protein


(Pseudomonas aeruginosa)		BDBM367902
PNG
(4-(4-(2-aminoethyl sulfonyl)-3-sulfamoyl-2-(2H-tet...)
Show SMILES NCCS(=O)(=O)c1ccc(-c2cccc3sc(nc23)C(N)=O)c(-c2nn[nH]n2)c1S(N)(=O)=O
Show InChI InChI=1S/C17H16N8O5S3/c18-6-7-32(27,28)11-5-4-8(12(14(11)33(20,29)30)16-22-24-25-23-16)9-2-1-3-10-13(9)21-17(31-10)15(19)26/h1-5H,6-7,18H2,(H2,19,26)(H2,20,29,30)(H,22,23,24,25)
PDB

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n/an/a 0.152n/an/an/an/an/an/a



Abbott Laboratories



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 ...

J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q2Z60RCD
More data for this
Ligand-Target Pair
VIM-1 protein


(Pseudomonas aeruginosa)		BDBM367955
PNG
(2-((4-(1H-pyrrolo[2,3- b]pyridin-4-yl)-2- sulfamoy...)
Show SMILES NCCS(=O)(=O)c1ccc(-c2ccnc3[nH]ccc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
Show InChI InChI=1S/C16H16N8O4S2/c17-5-8-29(25,26)12-2-1-10(9-3-6-19-15-11(9)4-7-20-15)13(14(12)30(18,27)28)16-21-23-24-22-16/h1-4,6-7H,5,8,17H2,(H,19,20)(H2,18,27,28)(H,21,22,23,24)
PDB

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n/an/a 0.153n/an/an/an/an/an/a



Abbott Laboratories



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 ...

J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q2Z60RCD
More data for this
Ligand-Target Pair
VIM-1 protein


(Pseudomonas aeruginosa)		BDBM367832
PNG
(3-(2-Amino-1-methyl-1H-benzo[d]imidazol-7-yl)-6-(a...)
Show SMILES Cn1c(N)nc2cccc(-c3ccc(c(c3-c3nn[nH]n3)S(N)(=O)=O)S(=O)(=O)C3CNC3)c12
Show InChI InChI=1S/C18H19N9O4S2/c1-27-15-11(3-2-4-12(15)22-18(27)19)10-5-6-13(32(28,29)9-7-21-8-9)16(33(20,30)31)14(10)17-23-25-26-24-17/h2-6,9,21H,7-8H2,1H3,(H2,19,22)(H2,20,30,31)(H,23,24,25,26)
PDB

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Abbott Laboratories



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 ...

J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q2Z60RCD
More data for this
Ligand-Target Pair
VIM-1 protein


(Pseudomonas aeruginosa)		BDBM368008
PNG
(3-(2-amino-1-methyl-1H- benzo[d]imidazol-4-yl)-6-(...)
Show SMILES Cn1c(N)nc2c(cccc12)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)CCCN
Show InChI InChI=1S/C18H21N9O4S2/c1-27-12-5-2-4-11(15(12)22-18(27)20)10-6-7-13(32(28,29)9-3-8-19)16(33(21,30)31)14(10)17-23-25-26-24-17/h2,4-7H,3,8-9,19H2,1H3,(H2,20,22)(H2,21,30,31)(H,23,24,25,26)
PDB

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Abbott Laboratories



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 ...

J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q2Z60RCD
More data for this
Ligand-Target Pair
VIM-1 protein


(Pseudomonas aeruginosa)		BDBM367901
PNG
(4-(4-(2-aminoethylsulfonyl)-3-sulfamoyl-2-(2H-tetr...)
Show SMILES NCCS(=O)(=O)c1ccc(-c2cccc3sc(nc23)C(O)=O)c(-c2nn[nH]n2)c1S(N)(=O)=O
Show InChI InChI=1S/C17H15N7O6S3/c18-6-7-32(27,28)11-5-4-8(12(14(11)33(19,29)30)15-21-23-24-22-15)9-2-1-3-10-13(9)20-16(31-10)17(25)26/h1-5H,6-7,18H2,(H,25,26)(H2,19,29,30)(H,21,22,23,24)
PDB

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n/an/a 0.158n/an/an/an/an/an/a



Abbott Laboratories



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 ...

J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q2Z60RCD
More data for this
Ligand-Target Pair
VIM-1 protein


(Pseudomonas aeruginosa)		BDBM368000
PNG
(3-(2-amino-7- methylbenzo[d]thiazol-4-yl)-6- ((R)-...)
Show SMILES Cc1ccc(-c2ccc(c(c2-c2nn[nH]n2)S(N)(=O)=O)S(=O)(=O)[C@@H]2CCNC2)c2nc(N)sc12 |r|
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n/an/a 0.159n/an/an/an/an/an/a



Abbott Laboratories



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 ...

J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q2Z60RCD
More data for this
Ligand-Target Pair
VIM-1 protein


(Pseudomonas aeruginosa)		BDBM367839
PNG
((2-amino-3- cyanophenyl) boronic acid | US10227331...)
Show SMILES Nc1c(cccc1B(O)O)C#N
Show InChI InChI=1S/C7H7BN2O2/c9-4-5-2-1-3-6(7(5)10)8(11)12/h1-3,11-12H,10H2
PDB

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Abbott Laboratories



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 ...

J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q2Z60RCD
More data for this
Ligand-Target Pair
VIM-1 protein


(Pseudomonas aeruginosa)		BDBM367963
PNG
(2-((4-(2-oxo-2,3- dihydro-1H- benzo[d]imidazol-4-y...)
Show SMILES NCCS(=O)(=O)c1ccc(-c2cccc3[nH]c(=O)[nH]c23)c(-c2nnn[nH]2)c1S(N)(=O)=O
Show InChI InChI=1S/C16H16N8O5S2/c17-6-7-30(26,27)11-5-4-8(9-2-1-3-10-13(9)20-16(25)19-10)12(14(11)31(18,28)29)15-21-23-24-22-15/h1-5H,6-7,17H2,(H2,18,28,29)(H2,19,20,25)(H,21,22,23,24)
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UniProtKB/TrEMBL

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n/an/a 0.162n/an/an/an/an/an/a



Abbott Laboratories



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 ...

J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q2Z60RCD
More data for this
Ligand-Target Pair
VIM-1 protein


(Pseudomonas aeruginosa)		BDBM368167
PNG
(6-((3- aminopropyl)sulfonyl)-3- (1H-benzo[d]imidaz...)
Show SMILES NCCCS(=O)(=O)c1ccc(-c2cccc3[nH]cnc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
Show InChI InChI=1S/C17H18N8O4S2/c18-7-2-8-30(26,27)13-6-5-10(11-3-1-4-12-15(11)21-9-20-12)14(16(13)31(19,28)29)17-22-24-25-23-17/h1,3-6,9H,2,7-8,18H2,(H,20,21)(H2,19,28,29)(H,22,23,24,25)
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n/an/a 0.162n/an/an/an/an/an/a



Abbott Laboratories



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 ...

J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q2Z60RCD
More data for this
Ligand-Target Pair
VIM-1 protein


(Pseudomonas aeruginosa)		BDBM367926
PNG
(3-((4-(1-oxoisoindolin-4- yl)-2-sulfamoyl-3-(1H- t...)
Show SMILES NS(=O)(=O)c1c(ccc(-c2cccc3C(=O)NCc23)c1-c1nnn[nH]1)S(=O)(=O)C1CNC1
Show InChI InChI=1S/C18H17N7O5S2/c19-32(29,30)16-14(31(27,28)9-6-20-7-9)5-4-11(15(16)17-22-24-25-23-17)10-2-1-3-12-13(10)8-21-18(12)26/h1-5,9,20H,6-8H2,(H,21,26)(H2,19,29,30)(H,22,23,24,25)
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n/an/a 0.164n/an/an/an/an/an/a



Abbott Laboratories



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 ...

J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q2Z60RCD
More data for this
Ligand-Target Pair
VIM-1 protein


(Pseudomonas aeruginosa)		BDBM368168
PNG
((S)-6-((2- aminopropyl)sulfonyl)-3- (1H-benzo[d]im...)
Show SMILES C[C@H](N)CS(=O)(=O)c1ccc(-c2cccc3[nH]cnc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
Show InChI InChI=1S/C17H16N8O4S2/c1-9(18)7-30(26,27)13-6-5-10(11-3-2-4-12-15(11)21-8-20-12)14(16(13)31(19,28)29)17-22-24-25-23-17/h2-6,8-9H,7,18H2,1H3,(H2,19,28,29)/b11-10+/t9-/m0/s1
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n/an/a 0.165n/an/an/an/an/an/a



Abbott Laboratories



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 ...

J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q2Z60RCD
More data for this
Ligand-Target Pair
VIM-1 protein


(Pseudomonas aeruginosa)		BDBM368139
PNG
(3-(2-aminobenzo[d]thiazol-4-yl)-6-((2-(dimethylami...)
Show SMILES CN(C)CCS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
Show InChI InChI=1S/C18H20N8O4S3/c1-26(2)8-9-32(27,28)13-7-6-10(11-4-3-5-12-15(11)21-18(19)31-12)14(16(13)33(20,29)30)17-22-24-25-23-17/h3-7H,8-9H2,1-2H3,(H2,19,21)(H2,20,29,30)(H,22,23,24,25)
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n/an/a 0.167n/an/an/an/an/an/a



Abbott Laboratories



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 ...

J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q2Z60RCD
More data for this
Ligand-Target Pair
VIM-1 protein


(Pseudomonas aeruginosa)		BDBM367833
PNG
(3-(3-Amino-1H-indazol-6-yl)-6-azetidin-3-ylsulfony...)
Show SMILES Nc1n[nH]c2cc(ccc12)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)C1CNC1
Show InChI InChI=1S/C17H17N9O4S2/c18-16-11-2-1-8(5-12(11)21-22-16)10-3-4-13(31(27,28)9-6-20-7-9)15(32(19,29)30)14(10)17-23-25-26-24-17/h1-5,9,20H,6-7H2,(H3,18,21,22)(H2,19,29,30)(H,23,24,25,26)
PDB

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n/an/a 0.168n/an/an/an/an/an/a



Abbott Laboratories



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 ...

J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q2Z60RCD
More data for this
Ligand-Target Pair
VIM-1 protein


(Pseudomonas aeruginosa)		BDBM368003
PNG
(3-(2-aminobenzo[d]oxazol-4-yl)- 6-((S)-pyrrolidin-...)
Show SMILES Nc1cc2c(cccc2o1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)[C@H]1CCNC1 |r|
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n/an/a 0.169n/an/an/an/an/an/a



Abbott Laboratories



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 ...

J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q2Z60RCD
More data for this
Ligand-Target Pair
VIM-1 protein


(Pseudomonas aeruginosa)		BDBM367854
PNG
(3-(2-amino-3H- benzo[d]imidazol-5-yl)-6- (piperidi...)
Show SMILES Nc1nc2ccc(cc2[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)C1CCNCC1
Show InChI InChI=1S/C19H21N9O4S2/c20-19-23-13-3-1-10(9-14(13)24-19)12-2-4-15(33(29,30)11-5-7-22-8-6-11)17(34(21,31)32)16(12)18-25-27-28-26-18/h1-4,9,11,22H,5-8H2,(H3,20,23,24)(H2,21,31,32)(H,25,26,27,28)
PDB

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n/an/a 0.171n/an/an/an/an/an/a



Abbott Laboratories



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 ...

J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q2Z60RCD
More data for this
Ligand-Target Pair
VIM-1 protein


(Pseudomonas aeruginosa)		BDBM367887
PNG
(US10227331, Example 74 | tert-butyl (3-((2-(N,N-bi...)
Show SMILES COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(ccc(I)c2-c2nnn(Cc3ccc(OC)cc3)n2)S(=O)(=O)CCCNC(=O)OC(C)(C)C)cc1
Show InChI InChI=1S/C39H45IN6O9S2/c1-39(2,3)55-38(47)41-22-7-23-56(48,49)34-21-20-33(40)35(37-42-44-46(43-37)26-29-12-18-32(54-6)19-13-29)36(34)57(50,51)45(24-27-8-14-30(52-4)15-9-27)25-28-10-16-31(53-5)17-11-28/h8-21H,7,22-26H2,1-6H3,(H,41,47)
PDB

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Abbott Laboratories



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 ...

J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q2Z60RCD
More data for this
Ligand-Target Pair
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