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28 similar compounds to monomer 82435

Compile data set for download or QSAR
Wt: 533.4
BDBM82436
Wt: 609.9
BDBM50042528
Wt: 573.4
BDBM50042530
Wt: 575.4
BDBM50042531
Wt: 520.6
BDBM50042532
Wt: 512.9
BDBM50042535
Wt: 508.5
BDBM50042537
Wt: 545.4
BDBM50042539
Wt: 547.4
BDBM50042542
Wt: 547.4
BDBM50042543
Wt: 561.4
BDBM50042546
Wt: 541.0
BDBM50042548
Wt: 533.4
BDBM50042550
Wt: 478.5
BDBM50042555
Wt: 512.9
BDBM50042556
Displayed 1 to 15 (of 28 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 42 hits for monomerid = 82436,50042528,50042530,50042531,50042532,50042535,50042537,50042539,50042542,50042543,50042546,50042548,50042550,50042555,50042556   
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
Angiotensin II AT2


(RAT)
BDBM82436
PNG
(1-(2,6-Dichlorophenyl)-4-[[2'-(1H-tetrazol-5-y...)
Show SMILES CCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C27H22Cl2N6O2/c1-2-6-23-20(24(27(36)37)35(32-23)25-21(28)9-5-10-22(25)29)15-16-11-13-17(14-12-16)18-7-3-4-8-19(18)26-30-33-34-31-26/h3-5,7-14H,2,6,15H2,1H3,(H,36,37)(H,30,31,33,34)
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0.720n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 272: 612-8 (1995)


BindingDB Entry DOI: 10.7270/Q2FB51GP
More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM82436
PNG
(1-(2,6-Dichlorophenyl)-4-[[2'-(1H-tetrazol-5-y...)
Show SMILES CCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C27H22Cl2N6O2/c1-2-6-23-20(24(27(36)37)35(32-23)25-21(28)9-5-10-22(25)29)15-16-11-13-17(14-12-16)18-7-3-4-8-19(18)26-30-33-34-31-26/h3-5,7-14H,2,6,15H2,1H3,(H,36,37)(H,30,31,33,34)
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526n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 272: 612-8 (1995)


BindingDB Entry DOI: 10.7270/Q2FB51GP
More data for this
Ligand-Target Pair
Renal dipeptidase


(GUINEA PIG)
BDBM50042531
PNG
(5-Butyl-2-(2,3-dichloro-phenyl)-4-[2'-(1H-tetrazol...)
Show SMILES CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C30H28Cl2N6O2/c1-3-5-12-25-23(28(30(39)40-4-2)38(35-25)26-13-8-11-24(31)27(26)32)18-19-14-16-20(17-15-19)21-9-6-7-10-22(21)29-33-36-37-34-29/h6-11,13-17H,3-5,12,18H2,1-2H3,(H,33,34,36,37)
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1.70E+5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro apparent inhibition constant of porcine renal Dehydropeptidase-1.


Bioorg Med Chem Lett 9: 2741-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00458-8
BindingDB Entry DOI: 10.7270/Q24Q7T6C
More data for this
Ligand-Target Pair
Renal dipeptidase


(GUINEA PIG)
BDBM50042542
PNG
(5-Butyl-2-(2,3-dichloro-phenyl)-4-[2'-(1H-tetrazol...)
Show SMILES CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C28H24Cl2N6O2/c1-2-3-10-23-21(26(28(37)38)36(33-23)24-11-6-9-22(29)25(24)30)16-17-12-14-18(15-13-17)19-7-4-5-8-20(19)27-31-34-35-32-27/h4-9,11-15H,2-3,10,16H2,1H3,(H,37,38)(H,31,32,34,35)
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3.10E+5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro apparent inhibition constant of porcine renal Dehydropeptidase-1.


Bioorg Med Chem Lett 9: 2741-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00458-8
BindingDB Entry DOI: 10.7270/Q24Q7T6C
More data for this
Ligand-Target Pair
Renal dipeptidase


(GUINEA PIG)
BDBM50042543
PNG
(5-Butyl-2-(2,4-dichloro-phenyl)-4-[2'-(1H-tetrazol...)
Show SMILES CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C28H24Cl2N6O2/c1-2-3-8-24-22(26(28(37)38)36(33-24)25-14-13-19(29)16-23(25)30)15-17-9-11-18(12-10-17)20-6-4-5-7-21(20)27-31-34-35-32-27/h4-7,9-14,16H,2-3,8,15H2,1H3,(H,37,38)(H,31,32,34,35)
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4.00E+5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro apparent inhibition constant of porcine renal Dehydropeptidase-1.


Bioorg Med Chem Lett 9: 2741-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00458-8
BindingDB Entry DOI: 10.7270/Q24Q7T6C
More data for this
Ligand-Target Pair
Renal dipeptidase


(GUINEA PIG)
BDBM50042535
PNG
(5-Butyl-2-(3-chloro-phenyl)-4-[2'-(1H-tetrazol-5-y...)
Show SMILES CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1cccc(Cl)c1
Show InChI InChI=1S/C28H25ClN6O2/c1-2-3-11-25-24(26(28(36)37)35(32-25)21-8-6-7-20(29)17-21)16-18-12-14-19(15-13-18)22-9-4-5-10-23(22)27-30-33-34-31-27/h4-10,12-15,17H,2-3,11,16H2,1H3,(H,36,37)(H,30,31,33,34)
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4.25E+5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro apparent inhibition constant of porcine renal Dehydropeptidase-1.


Bioorg Med Chem Lett 9: 2741-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00458-8
BindingDB Entry DOI: 10.7270/Q24Q7T6C
More data for this
Ligand-Target Pair
Renal dipeptidase


(GUINEA PIG)
BDBM50042556
PNG
(5-Butyl-2-(4-chloro-phenyl)-4-[2'-(1H-tetrazol-5-y...)
Show SMILES CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H25ClN6O2/c1-2-3-8-25-24(26(28(36)37)35(32-25)21-15-13-20(29)14-16-21)17-18-9-11-19(12-10-18)22-6-4-5-7-23(22)27-30-33-34-31-27/h4-7,9-16H,2-3,8,17H2,1H3,(H,36,37)(H,30,31,33,34)
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4.30E+5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro apparent inhibition constant of porcine renal Dehydropeptidase-1.


Bioorg Med Chem Lett 9: 2741-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00458-8
BindingDB Entry DOI: 10.7270/Q24Q7T6C
More data for this
Ligand-Target Pair
Renal dipeptidase


(GUINEA PIG)
BDBM50042548
PNG
(5-Butyl-2-(3-chloro-phenyl)-4-[2'-(1H-tetrazol-5-y...)
Show SMILES CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1cccc(Cl)c1
Show InChI InChI=1S/C30H29ClN6O2/c1-3-5-13-27-26(28(30(38)39-4-2)37(34-27)23-10-8-9-22(31)19-23)18-20-14-16-21(17-15-20)24-11-6-7-12-25(24)29-32-35-36-33-29/h6-12,14-17,19H,3-5,13,18H2,1-2H3,(H,32,33,35,36)
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4.50E+5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro apparent inhibition constant of porcine renal Dehydropeptidase-1.


Bioorg Med Chem Lett 9: 2741-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00458-8
BindingDB Entry DOI: 10.7270/Q24Q7T6C
More data for this
Ligand-Target Pair
Renal dipeptidase


(GUINEA PIG)
BDBM50042528
PNG
(5-Butyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C30H27Cl3N6O2/c1-3-5-10-26-23(27(30(40)41-4-2)39(36-26)28-24(32)16-20(31)17-25(28)33)15-18-11-13-19(14-12-18)21-8-6-7-9-22(21)29-34-37-38-35-29/h6-9,11-14,16-17H,3-5,10,15H2,1-2H3,(H,34,35,37,38)
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4.50E+5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro apparent inhibition constant of porcine renal Dehydropeptidase-1.


Bioorg Med Chem Lett 9: 2741-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00458-8
BindingDB Entry DOI: 10.7270/Q24Q7T6C
More data for this
Ligand-Target Pair
Renal dipeptidase


(GUINEA PIG)
BDBM50042555
PNG
(5-Butyl-2-phenyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl...)
Show SMILES CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccccc1
Show InChI InChI=1S/C28H26N6O2/c1-2-3-13-25-24(26(28(35)36)34(31-25)21-9-5-4-6-10-21)18-19-14-16-20(17-15-19)22-11-7-8-12-23(22)27-29-32-33-30-27/h4-12,14-17H,2-3,13,18H2,1H3,(H,35,36)(H,29,30,32,33)
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5.90E+5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro apparent inhibition constant of porcine renal Dehydropeptidase-1.


Bioorg Med Chem Lett 9: 2741-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00458-8
BindingDB Entry DOI: 10.7270/Q24Q7T6C
More data for this
Ligand-Target Pair
metallo-beta-lactamase IMP-1


(Pseudomonas aeruginosa)
BDBM50042556
PNG
(5-Butyl-2-(4-chloro-phenyl)-4-[2'-(1H-tetrazol-5-y...)
Show SMILES CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H25ClN6O2/c1-2-3-8-25-24(26(28(36)37)35(32-25)21-15-13-20(29)14-16-21)17-18-9-11-19(12-10-18)22-6-4-5-7-23(22)27-30-33-34-31-27/h4-7,9-16H,2-3,8,17H2,1H3,(H,36,37)(H,30,31,33,34)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of metallo-beta-lactamase (MBL) from Pseudomonas aeruginosa mediated by the plasmid-borne IMP-1 enzyme.


Bioorg Med Chem Lett 9: 2741-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00458-8
BindingDB Entry DOI: 10.7270/Q24Q7T6C
More data for this
Ligand-Target Pair
Beta-lactamase type II


(Bacteroides fragilis)
BDBM50042555
PNG
(5-Butyl-2-phenyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl...)
Show SMILES CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccccc1
Show InChI InChI=1S/C28H26N6O2/c1-2-3-13-25-24(26(28(35)36)34(31-25)21-9-5-4-6-10-21)18-19-14-16-20(17-15-19)22-11-7-8-12-23(22)27-29-32-33-30-27/h4-12,14-17H,2-3,13,18H2,1H3,(H,35,36)(H,29,30,32,33)
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n/an/a 2.00E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of metallo-beta-lactamase (MBL) from Bacteroides fragilis.


Bioorg Med Chem Lett 9: 2741-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00458-8
BindingDB Entry DOI: 10.7270/Q24Q7T6C
More data for this
Ligand-Target Pair
Beta-lactamase type II


(Bacteroides fragilis)
BDBM50042556
PNG
(5-Butyl-2-(4-chloro-phenyl)-4-[2'-(1H-tetrazol-5-y...)
Show SMILES CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H25ClN6O2/c1-2-3-8-25-24(26(28(36)37)35(32-25)21-15-13-20(29)14-16-21)17-18-9-11-19(12-10-18)22-6-4-5-7-23(22)27-30-33-34-31-27/h4-7,9-16H,2-3,8,17H2,1H3,(H,36,37)(H,30,31,33,34)
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n/an/a 2.30E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of metallo-beta-lactamase (MBL) from Bacteroides fragilis.


Bioorg Med Chem Lett 9: 2741-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00458-8
BindingDB Entry DOI: 10.7270/Q24Q7T6C
More data for this
Ligand-Target Pair
Beta-lactamase type II


(Bacteroides fragilis)
BDBM50042543
PNG
(5-Butyl-2-(2,4-dichloro-phenyl)-4-[2'-(1H-tetrazol...)
Show SMILES CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C28H24Cl2N6O2/c1-2-3-8-24-22(26(28(37)38)36(33-24)25-14-13-19(29)16-23(25)30)15-17-9-11-18(12-10-17)20-6-4-5-7-21(20)27-31-34-35-32-27/h4-7,9-14,16H,2-3,8,15H2,1H3,(H,37,38)(H,31,32,34,35)
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n/an/a 8.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of metallo-beta-lactamase (MBL) from Bacteroides fragilis.


Bioorg Med Chem Lett 9: 2741-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00458-8
BindingDB Entry DOI: 10.7270/Q24Q7T6C
More data for this
Ligand-Target Pair
Beta-lactamase type II


(Bacteroides fragilis)
BDBM50042542
PNG
(5-Butyl-2-(2,3-dichloro-phenyl)-4-[2'-(1H-tetrazol...)
Show SMILES CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C28H24Cl2N6O2/c1-2-3-10-23-21(26(28(37)38)36(33-23)24-11-6-9-22(29)25(24)30)16-17-12-14-18(15-13-17)19-7-4-5-8-20(19)27-31-34-35-32-27/h4-9,11-15H,2-3,10,16H2,1H3,(H,37,38)(H,31,32,34,35)
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n/an/a 3.70E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of metallo-beta-lactamase (MBL) from Bacteroides fragilis.


Bioorg Med Chem Lett 9: 2741-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00458-8
BindingDB Entry DOI: 10.7270/Q24Q7T6C
More data for this
Ligand-Target Pair
Beta-lactamase type II


(Bacteroides fragilis)
BDBM50042531
PNG
(5-Butyl-2-(2,3-dichloro-phenyl)-4-[2'-(1H-tetrazol...)
Show SMILES CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C30H28Cl2N6O2/c1-3-5-12-25-23(28(30(39)40-4-2)38(35-25)26-13-8-11-24(31)27(26)32)18-19-14-16-20(17-15-19)21-9-6-7-10-22(21)29-33-36-37-34-29/h6-11,13-17H,3-5,12,18H2,1-2H3,(H,33,34,36,37)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of metallo-beta-lactamase (MBL) from Bacteroides fragilis.


Bioorg Med Chem Lett 9: 2741-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00458-8
BindingDB Entry DOI: 10.7270/Q24Q7T6C
More data for this
Ligand-Target Pair
metallo-beta-lactamase IMP-1


(Pseudomonas aeruginosa)
BDBM50042548
PNG
(5-Butyl-2-(3-chloro-phenyl)-4-[2'-(1H-tetrazol-5-y...)
Show SMILES CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1cccc(Cl)c1
Show InChI InChI=1S/C30H29ClN6O2/c1-3-5-13-27-26(28(30(38)39-4-2)37(34-27)23-10-8-9-22(31)19-23)18-20-14-16-21(17-15-20)24-11-6-7-12-25(24)29-32-35-36-33-29/h6-12,14-17,19H,3-5,13,18H2,1-2H3,(H,32,33,35,36)
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n/an/a 7.60E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of metallo-beta-lactamase (MBL) from Pseudomonas aeruginosa mediated by the plasmid-borne IMP-1 enzyme.


Bioorg Med Chem Lett 9: 2741-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00458-8
BindingDB Entry DOI: 10.7270/Q24Q7T6C
More data for this
Ligand-Target Pair
metallo-beta-lactamase IMP-1


(Pseudomonas aeruginosa)
BDBM50042528
PNG
(5-Butyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C30H27Cl3N6O2/c1-3-5-10-26-23(27(30(40)41-4-2)39(36-26)28-24(32)16-20(31)17-25(28)33)15-18-11-13-19(14-12-18)21-8-6-7-9-22(21)29-34-37-38-35-29/h6-9,11-14,16-17H,3-5,10,15H2,1-2H3,(H,34,35,37,38)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of metallo-beta-lactamase (MBL) from Pseudomonas aeruginosa mediated by the plasmid-borne IMP-1 enzyme.


Bioorg Med Chem Lett 9: 2741-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00458-8
BindingDB Entry DOI: 10.7270/Q24Q7T6C
More data for this
Ligand-Target Pair
metallo-beta-lactamase IMP-1


(Pseudomonas aeruginosa)
BDBM50042535
PNG
(5-Butyl-2-(3-chloro-phenyl)-4-[2'-(1H-tetrazol-5-y...)
Show SMILES CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1cccc(Cl)c1
Show InChI InChI=1S/C28H25ClN6O2/c1-2-3-11-25-24(26(28(36)37)35(32-25)21-8-6-7-20(29)17-21)16-18-12-14-19(15-13-18)22-9-4-5-10-23(22)27-30-33-34-31-27/h4-10,12-15,17H,2-3,11,16H2,1H3,(H,36,37)(H,30,31,33,34)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of metallo-beta-lactamase (MBL) from Pseudomonas aeruginosa mediated by the plasmid-borne IMP-1 enzyme.


Bioorg Med Chem Lett 9: 2741-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00458-8
BindingDB Entry DOI: 10.7270/Q24Q7T6C
More data for this
Ligand-Target Pair
metallo-beta-lactamase IMP-1


(Pseudomonas aeruginosa)
BDBM50042531
PNG
(5-Butyl-2-(2,3-dichloro-phenyl)-4-[2'-(1H-tetrazol...)
Show SMILES CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C30H28Cl2N6O2/c1-3-5-12-25-23(28(30(39)40-4-2)38(35-25)26-13-8-11-24(31)27(26)32)18-19-14-16-20(17-15-19)21-9-6-7-10-22(21)29-33-36-37-34-29/h6-11,13-17H,3-5,12,18H2,1-2H3,(H,33,34,36,37)
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n/an/a 1.75E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of metallo-beta-lactamase (MBL) from Pseudomonas aeruginosa mediated by the plasmid-borne IMP-1 enzyme.


Bioorg Med Chem Lett 9: 2741-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00458-8
BindingDB Entry DOI: 10.7270/Q24Q7T6C
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50042542
PNG
(5-Butyl-2-(2,3-dichloro-phenyl)-4-[2'-(1H-tetrazol...)
Show SMILES CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C28H24Cl2N6O2/c1-2-3-10-23-21(26(28(37)38)36(33-23)24-11-6-9-22(29)25(24)30)16-17-12-14-18(15-13-17)19-7-4-5-8-20(19)27-31-34-35-32-27/h4-9,11-15H,2-3,10,16H2,1H3,(H,37,38)(H,31,32,34,35)
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n/an/a 0.770n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluation of Angiotensin II antagonistic activity by displacement of [125I]-Sar Ile-AII at the rabbit aorta Angiotensin II receptor, type 1


J Med Chem 36: 3595-605 (1994)


Article DOI: 10.1021/jm00075a014
BindingDB Entry DOI: 10.7270/Q25Q4V5H
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50042548
PNG
(5-Butyl-2-(3-chloro-phenyl)-4-[2'-(1H-tetrazol-5-y...)
Show SMILES CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1cccc(Cl)c1
Show InChI InChI=1S/C30H29ClN6O2/c1-3-5-13-27-26(28(30(38)39-4-2)37(34-27)23-10-8-9-22(31)19-23)18-20-14-16-21(17-15-20)24-11-6-7-12-25(24)29-32-35-36-33-29/h6-12,14-17,19H,3-5,13,18H2,1-2H3,(H,32,33,35,36)
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n/an/a 55n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluation of Angiotensin II antagonistic activity by displacement of [125I]-Sar Ile-AII at the rabbit aorta Angiotensin II receptor, type 1


J Med Chem 36: 3595-605 (1994)


Article DOI: 10.1021/jm00075a014
BindingDB Entry DOI: 10.7270/Q25Q4V5H
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50042532
PNG
(5-Butyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccccc1C
Show InChI InChI=1S/C31H32N6O2/c1-4-6-14-27-26(29(31(38)39-5-2)37(34-27)28-15-10-7-11-21(28)3)20-22-16-18-23(19-17-22)24-12-8-9-13-25(24)30-32-35-36-33-30/h7-13,15-19H,4-6,14,20H2,1-3H3,(H,32,33,35,36)
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n/an/a 13n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluation of Angiotensin II antagonistic activity by displacement of [125I]-Sar Ile-AII at the rabbit aorta Angiotensin II receptor, type 1


J Med Chem 36: 3595-605 (1994)


Article DOI: 10.1021/jm00075a014
BindingDB Entry DOI: 10.7270/Q25Q4V5H
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50042528
PNG
(5-Butyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C30H27Cl3N6O2/c1-3-5-10-26-23(27(30(40)41-4-2)39(36-26)28-24(32)16-20(31)17-25(28)33)15-18-11-13-19(14-12-18)21-8-6-7-9-22(21)29-34-37-38-35-29/h6-9,11-14,16-17H,3-5,10,15H2,1-2H3,(H,34,35,37,38)
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n/an/a 37n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluation of Angiotensin II antagonistic activity by displacement of [125I]-Sar Ile-AII at the rabbit aorta Angiotensin II receptor, type 1


J Med Chem 36: 3595-605 (1994)


Article DOI: 10.1021/jm00075a014
BindingDB Entry DOI: 10.7270/Q25Q4V5H
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50042555
PNG
(5-Butyl-2-phenyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl...)
Show SMILES CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccccc1
Show InChI InChI=1S/C28H26N6O2/c1-2-3-13-25-24(26(28(35)36)34(31-25)21-9-5-4-6-10-21)18-19-14-16-20(17-15-19)22-11-7-8-12-23(22)27-29-32-33-30-27/h4-12,14-17H,2-3,13,18H2,1H3,(H,35,36)(H,29,30,32,33)
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n/an/a 2.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluation of Angiotensin II antagonistic activity by displacement of [125I]-Sar Ile-AII at the rabbit aorta Angiotensin II receptor, type 1


J Med Chem 36: 3595-605 (1994)


Article DOI: 10.1021/jm00075a014
BindingDB Entry DOI: 10.7270/Q25Q4V5H
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50042537
PNG
(5-Butyl-2-(4-methoxy-phenyl)-4-[2'-(1H-tetrazol-5-...)
Show SMILES CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccc(OC)cc1
Show InChI InChI=1S/C29H28N6O3/c1-3-4-9-26-25(27(29(36)37)35(32-26)21-14-16-22(38-2)17-15-21)18-19-10-12-20(13-11-19)23-7-5-6-8-24(23)28-30-33-34-31-28/h5-8,10-17H,3-4,9,18H2,1-2H3,(H,36,37)(H,30,31,33,34)
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n/an/a 0.800n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluation of Angiotensin II antagonistic activity by displacement of [125I]-Sar Ile-AII at the rabbit aorta Angiotensin II receptor, type 1


J Med Chem 36: 3595-605 (1994)


Article DOI: 10.1021/jm00075a014
BindingDB Entry DOI: 10.7270/Q25Q4V5H
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50042556
PNG
(5-Butyl-2-(4-chloro-phenyl)-4-[2'-(1H-tetrazol-5-y...)
Show SMILES CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H25ClN6O2/c1-2-3-8-25-24(26(28(36)37)35(32-25)21-15-13-20(29)14-16-21)17-18-9-11-19(12-10-18)22-6-4-5-7-23(22)27-30-33-34-31-27/h4-7,9-16H,2-3,8,17H2,1H3,(H,36,37)(H,30,31,33,34)
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n/an/a 1.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluation of Angiotensin II antagonistic activity by displacement of [125I]-Sar Ile-AII at the rabbit aorta Angiotensin II receptor, type 1


J Med Chem 36: 3595-605 (1994)


Article DOI: 10.1021/jm00075a014
BindingDB Entry DOI: 10.7270/Q25Q4V5H
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50042539
PNG
(5-Cyclopropylmethyl-2-(2,6-dichloro-phenyl)-4-[2'-...)
Show SMILES OC(=O)c1c(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(CC2CC2)nn1-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H22Cl2N6O2/c29-22-6-3-7-23(30)26(22)36-25(28(37)38)21(24(33-36)15-17-8-9-17)14-16-10-12-18(13-11-16)19-4-1-2-5-20(19)27-31-34-35-32-27/h1-7,10-13,17H,8-9,14-15H2,(H,37,38)(H,31,32,34,35)
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n/an/a 3.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluation of Angiotensin II antagonistic activity by displacement of [125I]-Sar Ile-AII at the rabbit aorta Angiotensin II receptor, type 1


J Med Chem 36: 3595-605 (1994)


Article DOI: 10.1021/jm00075a014
BindingDB Entry DOI: 10.7270/Q25Q4V5H
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50042530
PNG
(5-Cyclopropylmethyl-2-(2,6-dichloro-phenyl)-4-[2'-...)
Show SMILES CCOC(=O)c1c(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(CC2CC2)nn1-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C30H26Cl2N6O2/c1-2-40-30(39)27-23(26(17-19-10-11-19)35-38(27)28-24(31)8-5-9-25(28)32)16-18-12-14-20(15-13-18)21-6-3-4-7-22(21)29-33-36-37-34-29/h3-9,12-15,19H,2,10-11,16-17H2,1H3,(H,33,34,36,37)
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n/an/a 76n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluation of Angiotensin II antagonistic activity by displacement of [125I]-Sar Ile-AII at the rabbit aorta Angiotensin II receptor, type 1


J Med Chem 36: 3595-605 (1994)


Article DOI: 10.1021/jm00075a014
BindingDB Entry DOI: 10.7270/Q25Q4V5H
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50042535
PNG
(5-Butyl-2-(3-chloro-phenyl)-4-[2'-(1H-tetrazol-5-y...)
Show SMILES CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1cccc(Cl)c1
Show InChI InChI=1S/C28H25ClN6O2/c1-2-3-11-25-24(26(28(36)37)35(32-25)21-8-6-7-20(29)17-21)16-18-12-14-19(15-13-18)22-9-4-5-10-23(22)27-30-33-34-31-27/h4-10,12-15,17H,2-3,11,16H2,1H3,(H,36,37)(H,30,31,33,34)
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n/an/a 2.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluation of Angiotensin II antagonistic activity by displacement of [125I]-Sar Ile-AII at the rabbit aorta Angiotensin II receptor, type 1


J Med Chem 36: 3595-605 (1994)


Article DOI: 10.1021/jm00075a014
BindingDB Entry DOI: 10.7270/Q25Q4V5H
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50042531
PNG
(5-Butyl-2-(2,3-dichloro-phenyl)-4-[2'-(1H-tetrazol...)
Show SMILES CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C30H28Cl2N6O2/c1-3-5-12-25-23(28(30(39)40-4-2)38(35-25)26-13-8-11-24(31)27(26)32)18-19-14-16-20(17-15-19)21-9-6-7-10-22(21)29-33-36-37-34-29/h6-11,13-17H,3-5,12,18H2,1-2H3,(H,33,34,36,37)
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n/an/a 90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluation of Angiotensin II antagonistic activity by displacement of [125I]-Sar Ile-AII at the rabbit aorta Angiotensin II receptor, type 1


J Med Chem 36: 3595-605 (1994)


Article DOI: 10.1021/jm00075a014
BindingDB Entry DOI: 10.7270/Q25Q4V5H
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50042550
PNG
(2-(2,6-Dichloro-phenyl)-5-propyl-4-[2'-(1H-tetrazo...)
Show SMILES CCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C27H22Cl2N6O2/c1-2-6-23-20(24(27(36)37)35(32-23)25-21(28)9-5-10-22(25)29)15-16-11-13-17(14-12-16)18-7-3-4-8-19(18)26-30-33-34-31-26/h3-5,7-14H,2,6,15H2,1H3,(H,36,37)(H,30,31,33,34)
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n/an/a 0.690n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluation of Angiotensin II antagonistic activity by displacement of [125I]-Sar Ile-AII at the rabbit aorta Angiotensin II receptor, type 1


J Med Chem 36: 3595-605 (1994)


Article DOI: 10.1021/jm00075a014
BindingDB Entry DOI: 10.7270/Q25Q4V5H
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50042546
PNG
(2-(2,6-Dichloro-phenyl)-5-propyl-4-[2'-(1H-tetrazo...)
Show SMILES CCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C29H26Cl2N6O2/c1-3-8-25-22(26(29(38)39-4-2)37(34-25)27-23(30)11-7-12-24(27)31)17-18-13-15-19(16-14-18)20-9-5-6-10-21(20)28-32-35-36-33-28/h5-7,9-16H,3-4,8,17H2,1-2H3,(H,32,33,35,36)
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n/an/a 20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluation of Angiotensin II antagonistic activity by displacement of [125I]-Sar Ile-AII at the rabbit aorta Angiotensin II receptor, type 1


J Med Chem 36: 3595-605 (1994)


Article DOI: 10.1021/jm00075a014
BindingDB Entry DOI: 10.7270/Q25Q4V5H
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50042543
PNG
(5-Butyl-2-(2,4-dichloro-phenyl)-4-[2'-(1H-tetrazol...)
Show SMILES CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C28H24Cl2N6O2/c1-2-3-8-24-22(26(28(37)38)36(33-24)25-14-13-19(29)16-23(25)30)15-17-9-11-18(12-10-17)20-6-4-5-7-21(20)27-31-34-35-32-27/h4-7,9-14,16H,2-3,8,15H2,1H3,(H,37,38)(H,31,32,34,35)
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n/an/a 0.600n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluation of Angiotensin II antagonistic activity by displacement of [125I]-Sar Ile-AII at the rabbit aorta Angiotensin II receptor, type 1


J Med Chem 36: 3595-605 (1994)


Article DOI: 10.1021/jm00075a014
BindingDB Entry DOI: 10.7270/Q25Q4V5H
More data for this
Ligand-Target Pair
metallo-beta-lactamase IMP-1


(Pseudomonas aeruginosa)
BDBM50042543
PNG
(5-Butyl-2-(2,4-dichloro-phenyl)-4-[2'-(1H-tetrazol...)
Show SMILES CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C28H24Cl2N6O2/c1-2-3-8-24-22(26(28(37)38)36(33-24)25-14-13-19(29)16-23(25)30)15-17-9-11-18(12-10-17)20-6-4-5-7-21(20)27-31-34-35-32-27/h4-7,9-14,16H,2-3,8,15H2,1H3,(H,37,38)(H,31,32,34,35)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of metallo-beta-lactamase (MBL) from Pseudomonas aeruginosa mediated by the plasmid-borne IMP-1 enzyme.


Bioorg Med Chem Lett 9: 2741-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00458-8
BindingDB Entry DOI: 10.7270/Q24Q7T6C
More data for this
Ligand-Target Pair
Beta-lactamase type II


(Bacteroides fragilis)
BDBM50042548
PNG
(5-Butyl-2-(3-chloro-phenyl)-4-[2'-(1H-tetrazol-5-y...)
Show SMILES CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1cccc(Cl)c1
Show InChI InChI=1S/C30H29ClN6O2/c1-3-5-13-27-26(28(30(38)39-4-2)37(34-27)23-10-8-9-22(31)19-23)18-20-14-16-21(17-15-20)24-11-6-7-12-25(24)29-32-35-36-33-29/h6-12,14-17,19H,3-5,13,18H2,1-2H3,(H,32,33,35,36)
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n/an/a 1.70E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of metallo-beta-lactamase (MBL) from Bacteroides fragilis.


Bioorg Med Chem Lett 9: 2741-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00458-8
BindingDB Entry DOI: 10.7270/Q24Q7T6C
More data for this
Ligand-Target Pair
Beta-lactamase type II


(Bacteroides fragilis)
BDBM50042532
PNG
(5-Butyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccccc1C
Show InChI InChI=1S/C31H32N6O2/c1-4-6-14-27-26(29(31(38)39-5-2)37(34-27)28-15-10-7-11-21(28)3)20-22-16-18-23(19-17-22)24-12-8-9-13-25(24)30-32-35-36-33-30/h7-13,15-19H,4-6,14,20H2,1-3H3,(H,32,33,35,36)
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n/an/a 7.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of metallo-beta-lactamase (MBL) from Bacteroides fragilis.


Bioorg Med Chem Lett 9: 2741-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00458-8
BindingDB Entry DOI: 10.7270/Q24Q7T6C
More data for this
Ligand-Target Pair
Beta-lactamase type II


(Bacteroides fragilis)
BDBM50042535
PNG
(5-Butyl-2-(3-chloro-phenyl)-4-[2'-(1H-tetrazol-5-y...)
Show SMILES CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1cccc(Cl)c1
Show InChI InChI=1S/C28H25ClN6O2/c1-2-3-11-25-24(26(28(36)37)35(32-25)21-8-6-7-20(29)17-21)16-18-12-14-19(15-13-18)22-9-4-5-10-23(22)27-30-33-34-31-27/h4-10,12-15,17H,2-3,11,16H2,1H3,(H,36,37)(H,30,31,33,34)
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n/an/a 1.90E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of metallo-beta-lactamase (MBL) from Bacteroides fragilis.


Bioorg Med Chem Lett 9: 2741-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00458-8
BindingDB Entry DOI: 10.7270/Q24Q7T6C
More data for this
Ligand-Target Pair
metallo-beta-lactamase IMP-1


(Pseudomonas aeruginosa)
BDBM50042542
PNG
(5-Butyl-2-(2,3-dichloro-phenyl)-4-[2'-(1H-tetrazol...)
Show SMILES CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C28H24Cl2N6O2/c1-2-3-10-23-21(26(28(37)38)36(33-23)24-11-6-9-22(29)25(24)30)16-17-12-14-18(15-13-17)19-7-4-5-8-20(19)27-31-34-35-32-27/h4-9,11-15H,2-3,10,16H2,1H3,(H,37,38)(H,31,32,34,35)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of metallo-beta-lactamase (MBL) from Pseudomonas aeruginosa mediated by the plasmid-borne IMP-1 enzyme.


Bioorg Med Chem Lett 9: 2741-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00458-8
BindingDB Entry DOI: 10.7270/Q24Q7T6C
More data for this
Ligand-Target Pair
metallo-beta-lactamase IMP-1


(Pseudomonas aeruginosa)
BDBM50042532
PNG
(5-Butyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccccc1C
Show InChI InChI=1S/C31H32N6O2/c1-4-6-14-27-26(29(31(38)39-5-2)37(34-27)28-15-10-7-11-21(28)3)20-22-16-18-23(19-17-22)24-12-8-9-13-25(24)30-32-35-36-33-30/h7-13,15-19H,4-6,14,20H2,1-3H3,(H,32,33,35,36)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of metallo-beta-lactamase (MBL) from Pseudomonas aeruginosa mediated by the plasmid-borne IMP-1 enzyme.


Bioorg Med Chem Lett 9: 2741-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00458-8
BindingDB Entry DOI: 10.7270/Q24Q7T6C
More data for this
Ligand-Target Pair
metallo-beta-lactamase IMP-1


(Pseudomonas aeruginosa)
BDBM50042555
PNG
(5-Butyl-2-phenyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl...)
Show SMILES CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccccc1
Show InChI InChI=1S/C28H26N6O2/c1-2-3-13-25-24(26(28(35)36)34(31-25)21-9-5-4-6-10-21)18-19-14-16-20(17-15-19)22-11-7-8-12-23(22)27-29-32-33-30-27/h4-12,14-17H,2-3,13,18H2,1H3,(H,35,36)(H,29,30,32,33)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of metallo-beta-lactamase (MBL) from Pseudomonas aeruginosa mediated by the plasmid-borne IMP-1 enzyme.


Bioorg Med Chem Lett 9: 2741-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00458-8
BindingDB Entry DOI: 10.7270/Q24Q7T6C
More data for this
Ligand-Target Pair
Beta-lactamase type II


(Bacteroides fragilis)
BDBM50042528
PNG
(5-Butyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C30H27Cl3N6O2/c1-3-5-10-26-23(27(30(40)41-4-2)39(36-26)28-24(32)16-20(31)17-25(28)33)15-18-11-13-19(14-12-18)21-8-6-7-9-22(21)29-34-37-38-35-29/h6-9,11-14,16-17H,3-5,10,15H2,1-2H3,(H,34,35,37,38)
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n/an/a 8.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of metallo-beta-lactamase (MBL) from Bacteroides fragilis.


Bioorg Med Chem Lett 9: 2741-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00458-8
BindingDB Entry DOI: 10.7270/Q24Q7T6C
More data for this
Ligand-Target Pair