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3 similar compounds to monomer 50080274

Compile data set for download or QSAR
Wt: 186.1
BDBM50080268
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Wt: 561.0
BDBM50069524
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Wt: 383.4
BDBM50129062
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50080268,50069524,50129062   
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
Tyrosine-protein kinase Lck


(Homo sapiens (human))
BDBM50080268
PNG
((2-Methyl-benzyl)-phosphonic acid | CHEMBL78501)
Show SMILES Cc1ccccc1CP(O)(O)=O
Show InChI InChI=1S/C8H11O3P/c1-7-4-2-3-5-8(7)6-12(9,10)11/h2-5H,6H2,1H3,(H2,9,10,11)
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PubMed
n/an/an/a 1.00E+6n/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against Lck SH2 domain


Bioorg Med Chem Lett 9: 2403-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00403-5
BindingDB Entry DOI: 10.7270/Q2Z89BK7
More data for this
Ligand-Target Pair
Apoptosis Signal-regulating Kinase 1 (ASK1)


(Homo sapiens (Human))
BDBM50069524
PNG
(CHEMBL3402501)
Show SMILES CC(C)(C)c1ccc(cc1)C1N(C(=O)C(O)=C1C(=O)c1ccc2OCCOc2c1)c1nc2ccc(Cl)cc2s1
Show InChI InChI=1S/C30H25ClN2O5S/c1-30(2,3)18-7-4-16(5-8-18)25-24(26(34)17-6-11-21-22(14-17)38-13-12-37-21)27(35)28(36)33(25)29-32-20-10-9-19(31)15-23(20)39-29/h4-11,14-15,25,35H,12-13H2,1-3H3
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KEGG

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PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



NAS of Ukraine

Curated by ChEMBL


Assay Description
Inhibition of recombinant ASK1 catalytic subunit (unknown origin) using MBP substrate and gamma-labeled 32P ATP incubated for 20 mins by liquid scint...


Bioorg Med Chem 23: 2489-97 (2015)


Article DOI: 10.1016/j.bmc.2015.03.056
BindingDB Entry DOI: 10.7270/Q2FQ9Z9X
More data for this
Ligand-Target Pair
Beta-lactamase


(Klebsiella pneumoniae)
BDBM50129062
PNG
(CHEBI:43968 | ICI-194660 | MEROPENEM | Meropenem |...)
Show SMILES C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(S[C@@H]3CN[C@@H](C3)C(=O)N(C)C)=C(N2C1=O)C(O)=O
Show InChI InChI=1S/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4/h7-12,18,21H,5-6H2,1-4H3,(H,24,25)/t7-,8-,9+,10+,11-,12-/m1/s1
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n/an/an/a 850n/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Binding affinity to native signal deficient and TEV cleavage site containing His-tagged Klebsiella pneumoniae OXA-48 expressed in Escherichia coli as...


J Med Chem 59: 5542-54 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00660
BindingDB Entry DOI: 10.7270/Q2NP26CK
More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Klebsiella pneumoniae)
BDBM50129062
PNG
(CHEBI:43968 | ICI-194660 | MEROPENEM | Meropenem |...)
Show SMILES C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(S[C@@H]3CN[C@@H](C3)C(=O)N(C)C)=C(N2C1=O)C(O)=O
Show InChI InChI=1S/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4/h7-12,18,21H,5-6H2,1-4H3,(H,24,25)/t7-,8-,9+,10+,11-,12-/m1/s1
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n/an/an/a 1.10E+4n/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged Klebsiella pneumoniae NDM-1 expressed in Escherichia coli BL21-AI cells by surface plasmon resonance assay


Bioorg Med Chem Lett 26: 1973-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.004
BindingDB Entry DOI: 10.7270/Q2FT8NXX
More data for this
Ligand-Target Pair
Beta-lactamase


(Klebsiella pneumoniae)
BDBM50129062
PNG
(CHEBI:43968 | ICI-194660 | MEROPENEM | Meropenem |...)
Show SMILES C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(S[C@@H]3CN[C@@H](C3)C(=O)N(C)C)=C(N2C1=O)C(O)=O
Show InChI InChI=1S/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4/h7-12,18,21H,5-6H2,1-4H3,(H,24,25)/t7-,8-,9+,10+,11-,12-/m1/s1
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n/an/an/a 0.346n/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Binding affinity to native signal deficient and TEV cleavage site containing His-tagged Klebsiella pneumoniae OXA-48 expressed in Escherichia coli as...


J Med Chem 59: 5542-54 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00660
BindingDB Entry DOI: 10.7270/Q2NP26CK
More data for this
Ligand-Target Pair
Metallo-beta-lactamase VIM-2 (VIM-2)


(Pseudomonas aeruginosa (g-Proteobacteria))
BDBM50129062
PNG
(CHEBI:43968 | ICI-194660 | MEROPENEM | Meropenem |...)
Show SMILES C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(S[C@@H]3CN[C@@H](C3)C(=O)N(C)C)=C(N2C1=O)C(O)=O
Show InChI InChI=1S/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4/h7-12,18,21H,5-6H2,1-4H3,(H,24,25)/t7-,8-,9+,10+,11-,12-/m1/s1
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Article
PubMed
n/an/an/a 1.20E+4n/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Reversible binding affinity to Pseudomonas aeruginosa 301-5473 metallo-beta-lactamase VIM-2 expressed in Escherichia coli BL21(DE3) measured for 15 s...


J Med Chem 58: 8671-82 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01289
BindingDB Entry DOI: 10.7270/Q2959KCH
More data for this
Ligand-Target Pair