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Compile Data Set for Download or QSAR

Found 3828 hits with Last Name = 'london' and Initial = 'c'   
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
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens (Human))
BDBM50451786
PNG
(CHEMBL423244)
Show SMILES CCOc1ccccc1C\N=C(/N)\C=C\c1ccccc1
Show InChI InChI=1S/C18H20N2O/c1-2-21-17-11-7-6-10-16(17)14-20-18(19)13-12-15-8-4-3-5-9-15/h3-13H,2,14H2,1H3,(H2,19,20)/b13-12+
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0.5n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil binding to recombinant human NR1a/NR2B receptors expressed in L(tk-) cells


Bioorg Med Chem Lett 13: 693-6 (2003)


Article DOI: 10.1016/s0960-894x(02)01060-0
BindingDB Entry DOI: 10.7270/Q2KK9D95
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens (Human))
BDBM50451785
PNG
(CHEMBL159675)
Show SMILES FC(F)(F)Oc1ccccc1CNC(=N)\C=C\c1ccccc1
Show InChI InChI=1S/C17H15F3N2O/c18-17(19,20)23-15-9-5-4-8-14(15)12-22-16(21)11-10-13-6-2-1-3-7-13/h1-11H,12H2,(H2,21,22)/b11-10+
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0.600n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil binding to recombinant human NR1a/NR2B receptors expressed in L(tk-) cells


Bioorg Med Chem Lett 13: 693-6 (2003)


Article DOI: 10.1016/s0960-894x(02)01060-0
BindingDB Entry DOI: 10.7270/Q2KK9D95
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens (Human))
BDBM50124885
PNG
((E)-N-(2-Methoxy-benzyl)-3-phenyl-acrylamidine | C...)
Show SMILES COc1ccccc1CN=C(N)C=Cc1ccccc1
Show InChI InChI=1S/C17H18N2O/c1-20-16-10-6-5-9-15(16)13-19-17(18)12-11-14-7-3-2-4-8-14/h2-12H,13H2,1H3,(H2,18,19)
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0.700n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil binding to recombinant human NR1a/NR2B receptors expressed in L(tk-) cells


Bioorg Med Chem Lett 13: 693-6 (2003)


Article DOI: 10.1016/s0960-894x(02)01060-0
BindingDB Entry DOI: 10.7270/Q2KK9D95
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens (Human))
BDBM50451789
PNG
(CHEMBL159762)
Show SMILES Clc1cccc(CNC(=N)\C=C\c2ccccc2)c1
Show InChI InChI=1S/C16H15ClN2/c17-15-8-4-7-14(11-15)12-19-16(18)10-9-13-5-2-1-3-6-13/h1-11H,12H2,(H2,18,19)/b10-9+
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0.800n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil binding to recombinant human NR1a/NR2B receptors expressed in L(tk-) cells


Bioorg Med Chem Lett 13: 693-6 (2003)


Article DOI: 10.1016/s0960-894x(02)01060-0
BindingDB Entry DOI: 10.7270/Q2KK9D95
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens (Human))
BDBM50451766
PNG
(CHEMBL159761)
Show SMILES Clc1ccccc1CNC(=N)\C=C\c1ccccc1
Show InChI InChI=1S/C16H15ClN2/c17-15-9-5-4-8-14(15)12-19-16(18)11-10-13-6-2-1-3-7-13/h1-11H,12H2,(H2,18,19)/b11-10+
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1n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil binding to recombinant human NR1a/NR2B receptors expressed in L(tk-) cells


Bioorg Med Chem Lett 13: 693-6 (2003)


Article DOI: 10.1016/s0960-894x(02)01060-0
BindingDB Entry DOI: 10.7270/Q2KK9D95
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens (Human))
BDBM50451778
PNG
(CHEMBL159416)
Show SMILES COc1ccccc1C\N=C(/N)c1ccc2ccccc2c1
Show InChI InChI=1S/C19H18N2O/c1-22-18-9-5-4-8-17(18)13-21-19(20)16-11-10-14-6-2-3-7-15(14)12-16/h2-12H,13H2,1H3,(H2,20,21)
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1.30n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil binding to recombinant human NR1a/NR2B receptors expressed in L(tk-) cells


Bioorg Med Chem Lett 13: 693-6 (2003)


Article DOI: 10.1016/s0960-894x(02)01060-0
BindingDB Entry DOI: 10.7270/Q2KK9D95
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens (Human))
BDBM50451772
PNG
(CHEMBL159453)
Show SMILES FC(F)(F)c1ccccc1CNC(=N)\C=C\c1ccccc1
Show InChI InChI=1S/C17H15F3N2/c18-17(19,20)15-9-5-4-8-14(15)12-22-16(21)11-10-13-6-2-1-3-7-13/h1-11H,12H2,(H2,21,22)/b11-10+
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1.40n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil binding to recombinant human NR1a/NR2B receptors expressed in L(tk-) cells


Bioorg Med Chem Lett 13: 693-6 (2003)


Article DOI: 10.1016/s0960-894x(02)01060-0
BindingDB Entry DOI: 10.7270/Q2KK9D95
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens (Human))
BDBM50451769
PNG
(CHEMBL159902)
Show SMILES Clc1cc(Cl)cc(CNC(=N)\C=C\c2ccccc2)c1
Show InChI InChI=1S/C16H14Cl2N2/c17-14-8-13(9-15(18)10-14)11-20-16(19)7-6-12-4-2-1-3-5-12/h1-10H,11H2,(H2,19,20)/b7-6+
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1.40n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil binding to recombinant human NR1a/NR2B receptors expressed in L(tk-) cells


Bioorg Med Chem Lett 13: 693-6 (2003)


Article DOI: 10.1016/s0960-894x(02)01060-0
BindingDB Entry DOI: 10.7270/Q2KK9D95
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens (Human))
BDBM50451784
PNG
(CHEMBL159790)
Show SMILES Clc1cccc(CNC(=N)c2ccc3ccccc3c2)c1
Show InChI InChI=1S/C18H15ClN2/c19-17-7-3-4-13(10-17)12-21-18(20)16-9-8-14-5-1-2-6-15(14)11-16/h1-11H,12H2,(H2,20,21)
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1.60n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil binding to recombinant human NR1a/NR2B receptors expressed in L(tk-) cells


Bioorg Med Chem Lett 13: 693-6 (2003)


Article DOI: 10.1016/s0960-894x(02)01060-0
BindingDB Entry DOI: 10.7270/Q2KK9D95
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens (Human))
BDBM50451779
PNG
(CHEMBL160027)
Show SMILES Fc1ccc(\C=C\C(=N)NCc2ccccc2)cc1F
Show InChI InChI=1S/C16H14F2N2/c17-14-8-6-12(10-15(14)18)7-9-16(19)20-11-13-4-2-1-3-5-13/h1-10H,11H2,(H2,19,20)/b9-7+
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1.70n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil binding to recombinant human NR1a/NR2B receptors expressed in L(tk-) cells


Bioorg Med Chem Lett 13: 693-6 (2003)


Article DOI: 10.1016/s0960-894x(02)01060-0
BindingDB Entry DOI: 10.7270/Q2KK9D95
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens (Human))
BDBM50451780
PNG
(CHEMBL161859)
Show SMILES COc1cccc(C\N=C(/N)\C=C\c2ccccc2)c1
Show InChI InChI=1S/C17H18N2O/c1-20-16-9-5-8-15(12-16)13-19-17(18)11-10-14-6-3-2-4-7-14/h2-12H,13H2,1H3,(H2,18,19)/b11-10+
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1.90n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Selectivity for inhibition of the response to glutamate/glycine in NR1a/NR2A expressing cells


Bioorg Med Chem Lett 13: 693-6 (2003)


Article DOI: 10.1016/s0960-894x(02)01060-0
BindingDB Entry DOI: 10.7270/Q2KK9D95
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens (Human))
BDBM50451764
PNG
(CHEMBL159425)
Show SMILES Clc1ccc(Cl)c(CNC(=N)\C=C\c2ccccc2)c1
Show InChI InChI=1S/C16H14Cl2N2/c17-14-7-8-15(18)13(10-14)11-20-16(19)9-6-12-4-2-1-3-5-12/h1-10H,11H2,(H2,19,20)/b9-6+
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2.70n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil binding to recombinant human NR1a/NR2B receptors expressed in L(tk-) cells


Bioorg Med Chem Lett 13: 693-6 (2003)


Article DOI: 10.1016/s0960-894x(02)01060-0
BindingDB Entry DOI: 10.7270/Q2KK9D95
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens (Human))
BDBM50451770
PNG
(CHEMBL350614)
Show SMILES Clc1cccc(CNC(=N)\C=C\c2ccccc2)c1Cl
Show InChI InChI=1S/C16H14Cl2N2/c17-14-8-4-7-13(16(14)18)11-20-15(19)10-9-12-5-2-1-3-6-12/h1-10H,11H2,(H2,19,20)/b10-9+
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3.60n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil binding to recombinant human NR1a/NR2B receptors expressed in L(tk-) cells


Bioorg Med Chem Lett 13: 693-6 (2003)


Article DOI: 10.1016/s0960-894x(02)01060-0
BindingDB Entry DOI: 10.7270/Q2KK9D95
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens (Human))
BDBM50451783
PNG
(CHEMBL348727)
Show SMILES Fc1ccc(\C=C\C(=N)NCc2ccccc2)cc1
Show InChI InChI=1S/C16H15FN2/c17-15-9-6-13(7-10-15)8-11-16(18)19-12-14-4-2-1-3-5-14/h1-11H,12H2,(H2,18,19)/b11-8+
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5.70n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of the response to glutamate/glycine in NR1a/NR2B expressing cells


Bioorg Med Chem Lett 13: 693-6 (2003)


Article DOI: 10.1016/s0960-894x(02)01060-0
BindingDB Entry DOI: 10.7270/Q2KK9D95
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens (Human))
BDBM50451777
PNG
(CHEMBL159306)
Show SMILES Clc1ccccc1CNC(=N)c1ccc2ccccc2c1
Show InChI InChI=1S/C18H15ClN2/c19-17-8-4-3-7-16(17)12-21-18(20)15-10-9-13-5-1-2-6-14(13)11-15/h1-11H,12H2,(H2,20,21)
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7.30n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil binding to recombinant human NR1a/NR2B receptors expressed in L(tk-) cells


Bioorg Med Chem Lett 13: 693-6 (2003)


Article DOI: 10.1016/s0960-894x(02)01060-0
BindingDB Entry DOI: 10.7270/Q2KK9D95
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens (Human))
BDBM50124892
PNG
((E)-N-Benzyl-3-phenyl-acrylamidine | CHEMBL158874)
Show SMILES N=C(NCc1ccccc1)C=Cc1ccccc1
Show InChI InChI=1S/C16H16N2/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15/h1-12H,13H2,(H2,17,18)
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9n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil binding to recombinant human NR1a/NR2B receptors expressed in L(tk-) cells


Bioorg Med Chem Lett 13: 693-6 (2003)


Article DOI: 10.1016/s0960-894x(02)01060-0
BindingDB Entry DOI: 10.7270/Q2KK9D95
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens (Human))
BDBM50080029
PNG
(4-((1R,2S)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-...)
Show SMILES C[C@@H](CN1CCC(Cc2ccccc2)CC1)[C@@H](O)c1ccc(O)cc1
Show InChI InChI=1S/C22H29NO2/c1-17(22(25)20-7-9-21(24)10-8-20)16-23-13-11-19(12-14-23)15-18-5-3-2-4-6-18/h2-10,17,19,22,24-25H,11-16H2,1H3/t17-,22+/m0/s1
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10n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil binding to recombinant human NR1a/NR2B receptors expressed in L(tk-) cells


Bioorg Med Chem Lett 13: 693-6 (2003)


Article DOI: 10.1016/s0960-894x(02)01060-0
BindingDB Entry DOI: 10.7270/Q2KK9D95
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens (Human))
BDBM50032651
PNG
(1-((1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-y...)
Show SMILES C[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(O)(CC1)c1ccccc1
Show InChI InChI=1S/C20H25NO3/c1-15(19(23)16-7-9-18(22)10-8-16)21-13-11-20(24,12-14-21)17-5-3-2-4-6-17/h2-10,15,19,22-24H,11-14H2,1H3/t15-,19+/m0/s1
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11n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil binding to recombinant human NR1a/NR2B receptors expressed in L(tk-) cells


Bioorg Med Chem Lett 13: 693-6 (2003)


Article DOI: 10.1016/s0960-894x(02)01060-0
BindingDB Entry DOI: 10.7270/Q2KK9D95
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens (Human))
BDBM50451782
PNG
(CHEMBL159894)
Show SMILES Clc1cccc(\C=C\C(=N)NCc2ccccc2)c1
Show InChI InChI=1S/C16H15ClN2/c17-15-8-4-7-13(11-15)9-10-16(18)19-12-14-5-2-1-3-6-14/h1-11H,12H2,(H2,18,19)/b10-9+
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12n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil binding to recombinant human NR1a/NR2B receptors expressed in L(tk-) cells


Bioorg Med Chem Lett 13: 693-6 (2003)


Article DOI: 10.1016/s0960-894x(02)01060-0
BindingDB Entry DOI: 10.7270/Q2KK9D95
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens (Human))
BDBM50451787
PNG
(CHEMBL161225)
Show SMILES N=C(NCc1ccccc1)\C=C\C1CCCCC1
Show InChI InChI=1S/C16H22N2/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15/h2,5-6,9-12,14H,1,3-4,7-8,13H2,(H2,17,18)/b12-11+
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19n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil binding to recombinant human NR1a/NR2B receptors expressed in L(tk-) cells


Bioorg Med Chem Lett 13: 693-6 (2003)


Article DOI: 10.1016/s0960-894x(02)01060-0
BindingDB Entry DOI: 10.7270/Q2KK9D95
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens (Human))
BDBM50451775
PNG
(CHEMBL158510)
Show SMILES FC(F)(F)c1cccc(CNC(=N)\C=C\c2ccccc2)c1
Show InChI InChI=1S/C17H15F3N2/c18-17(19,20)15-8-4-7-14(11-15)12-22-16(21)10-9-13-5-2-1-3-6-13/h1-11H,12H2,(H2,21,22)/b10-9+
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31n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil binding to recombinant human NR1a/NR2B receptors expressed in L(tk-) cells


Bioorg Med Chem Lett 13: 693-6 (2003)


Article DOI: 10.1016/s0960-894x(02)01060-0
BindingDB Entry DOI: 10.7270/Q2KK9D95
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens (Human))
BDBM50451768
PNG
(CHEMBL161772)
Show SMILES N=C(NCc1ccccc1)c1ccc2ccccc2c1
Show InChI InChI=1S/C18H16N2/c19-18(20-13-14-6-2-1-3-7-14)17-11-10-15-8-4-5-9-16(15)12-17/h1-12H,13H2,(H2,19,20)
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32n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil binding to recombinant human NR1a/NR2B receptors expressed in L(tk-) cells


Bioorg Med Chem Lett 13: 693-6 (2003)


Article DOI: 10.1016/s0960-894x(02)01060-0
BindingDB Entry DOI: 10.7270/Q2KK9D95
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50216671
PNG
(CHEMBL247828 | tert-butyl (R)-1-((R)-1-isopropyl-2...)
Show SMILES CC(C)N1c2ccccc2CC[C@@H](NC(=O)[C@@H](Cc2ccccc2OC(F)(F)F)NC(=O)OC(C)(C)C)C1=O
Show InChI InChI=1S/C28H34F3N3O5/c1-17(2)34-22-12-8-6-10-18(22)14-15-20(25(34)36)32-24(35)21(33-26(37)39-27(3,4)5)16-19-11-7-9-13-23(19)38-28(29,30)31/h6-13,17,20-21H,14-16H2,1-5H3,(H,32,35)(H,33,37)/t20-,21-/m1/s1
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40n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human inactive state Nav1.7 by whole cell electrophysiology


Bioorg Med Chem Lett 17: 4630-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.076
BindingDB Entry DOI: 10.7270/Q2HX1CCF
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens (Human))
BDBM50451767
PNG
(CHEMBL161332)
Show SMILES Clc1ccc(\C=C\C(=N)NCc2ccccc2)cc1
Show InChI InChI=1S/C16H15ClN2/c17-15-9-6-13(7-10-15)8-11-16(18)19-12-14-4-2-1-3-5-14/h1-11H,12H2,(H2,18,19)/b11-8+
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52n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil binding to recombinant human NR1a/NR2B receptors expressed in L(tk-) cells


Bioorg Med Chem Lett 13: 693-6 (2003)


Article DOI: 10.1016/s0960-894x(02)01060-0
BindingDB Entry DOI: 10.7270/Q2KK9D95
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens (Human))
BDBM50451781
PNG
(CHEMBL162415 | N-Phenethyl-Benzamidine)
Show SMILES N=C(NCCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C15H16N2/c16-15(14-9-5-2-6-10-14)17-12-11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H2,16,17)
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55n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil binding to recombinant human NR1a/NR2B receptors expressed in L(tk-) cells


Bioorg Med Chem Lett 13: 693-6 (2003)


Article DOI: 10.1016/s0960-894x(02)01060-0
BindingDB Entry DOI: 10.7270/Q2KK9D95
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens (Human))
BDBM50451788
PNG
(CHEMBL161008)
Show SMILES Clc1ccc(CNC(=N)\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C16H15ClN2/c17-15-9-6-14(7-10-15)12-19-16(18)11-8-13-4-2-1-3-5-13/h1-11H,12H2,(H2,18,19)/b11-8+
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77n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil binding to recombinant human NR1a/NR2B receptors expressed in L(tk-) cells


Bioorg Med Chem Lett 13: 693-6 (2003)


Article DOI: 10.1016/s0960-894x(02)01060-0
BindingDB Entry DOI: 10.7270/Q2KK9D95
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens (Human))
BDBM50451776
PNG
(CHEMBL353131)
Show SMILES Clc1ccccc1\C=C\C(=N)NCc1ccccc1
Show InChI InChI=1S/C16H15ClN2/c17-15-9-5-4-8-14(15)10-11-16(18)19-12-13-6-2-1-3-7-13/h1-11H,12H2,(H2,18,19)/b11-10+
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93n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Selectivity for inhibition of the response to glutamate/glycine in NR1a/NR2B expressing cells


Bioorg Med Chem Lett 13: 693-6 (2003)


Article DOI: 10.1016/s0960-894x(02)01060-0
BindingDB Entry DOI: 10.7270/Q2KK9D95
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens (Human))
BDBM50451773
PNG
(CHEMBL347424)
Show SMILES N=C(NCCc1ccccc1)\C=C\c1ccccc1
Show InChI InChI=1S/C17H18N2/c18-17(12-11-15-7-3-1-4-8-15)19-14-13-16-9-5-2-6-10-16/h1-12H,13-14H2,(H2,18,19)/b12-11+
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97n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil binding to recombinant human NR1a/NR2B receptors expressed in L(tk-) cells


Bioorg Med Chem Lett 13: 693-6 (2003)


Article DOI: 10.1016/s0960-894x(02)01060-0
BindingDB Entry DOI: 10.7270/Q2KK9D95
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50180545
PNG
(2-(3,5-bis(trifluoromethyl)benzyloxy)-6-(2-methyl-...)
Show SMILES Cn1nnc(n1)C1CC2(NC1CCC2OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C24H23F6N5O/c1-35-33-21(32-34-35)18-12-22(15-5-3-2-4-6-15)20(8-7-19(18)31-22)36-13-14-9-16(23(25,26)27)11-17(10-14)24(28,29)30/h2-6,9-11,18-20,31H,7-8,12-13H2,1H3
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100n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]labelled MK499 from cloned hERG expressed in HEK cells


Bioorg Med Chem Lett 16: 2008-12 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.069
BindingDB Entry DOI: 10.7270/Q28W3CWD
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens (Human))
BDBM50451771
PNG
(CHEMBL161388)
Show SMILES N=C(NCCCc1ccccc1)\C=C\c1ccccc1
Show InChI InChI=1S/C18H20N2/c19-18(14-13-17-10-5-2-6-11-17)20-15-7-12-16-8-3-1-4-9-16/h1-6,8-11,13-14H,7,12,15H2,(H2,19,20)/b14-13+
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120n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil binding to recombinant human NR1a/NR2B receptors expressed in L(tk-) cells


Bioorg Med Chem Lett 13: 693-6 (2003)


Article DOI: 10.1016/s0960-894x(02)01060-0
BindingDB Entry DOI: 10.7270/Q2KK9D95
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50180546
PNG
(2-(3,5-bis(trifluoromethyl)benzyloxy)-1-phenyl-8-a...)
Show SMILES FC(F)(F)c1cc(COC2CCC3CCC2(N3)c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C22H21F6NO/c23-21(24,25)16-10-14(11-17(12-16)22(26,27)28)13-30-19-7-6-18-8-9-20(19,29-18)15-4-2-1-3-5-15/h1-5,10-12,18-19,29H,6-9,13H2
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300n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]labelled MK499 from cloned hERG expressed in HEK cells


Bioorg Med Chem Lett 16: 2008-12 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.069
BindingDB Entry DOI: 10.7270/Q28W3CWD
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens (Human))
BDBM50451774
PNG
(CHEMBL345169)
Show SMILES N=C(CCc1ccccc1)NCc1ccccc1
Show InChI InChI=1S/C16H18N2/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15/h1-10H,11-13H2,(H2,17,18)
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530n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil binding to recombinant human NR1a/NR2B receptors expressed in L(tk-) cells


Bioorg Med Chem Lett 13: 693-6 (2003)


Article DOI: 10.1016/s0960-894x(02)01060-0
BindingDB Entry DOI: 10.7270/Q2KK9D95
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50180553
PNG
(2-(3,5-bis(trifluoromethyl)benzyloxy)-6-(1-methyl-...)
Show SMILES Cn1nnnc1C1CC2(NC1CCC2OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C24H23F6N5O/c1-35-21(32-33-34-35)18-12-22(15-5-3-2-4-6-15)20(8-7-19(18)31-22)36-13-14-9-16(23(25,26)27)11-17(10-14)24(28,29)30/h2-6,9-11,18-20,31H,7-8,12-13H2,1H3
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1.25E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]labelled MK499 from cloned hERG expressed in HEK cells


Bioorg Med Chem Lett 16: 2008-12 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.069
BindingDB Entry DOI: 10.7270/Q28W3CWD
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50180554
PNG
(2-(3,5-bis(trifluoromethyl)benzyloxy)-1-phenyl-6-(...)
Show SMILES FC(F)(F)c1cc(COC2CCC3NC2(CC3S(=O)(=O)c2ccccc2)c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C28H25F6NO3S/c29-27(30,31)20-13-18(14-21(15-20)28(32,33)34)17-38-25-12-11-23-24(39(36,37)22-9-5-2-6-10-22)16-26(25,35-23)19-7-3-1-4-8-19/h1-10,13-15,23-25,35H,11-12,16-17H2
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1.30E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]labelled MK499 from cloned hERG expressed in HEK cells


Bioorg Med Chem Lett 16: 2008-12 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.069
BindingDB Entry DOI: 10.7270/Q28W3CWD
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens (Human))
BDBM50451765
PNG
(CHEMBL159541)
Show SMILES FC(F)(F)c1ccc(CNC(=N)\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C17H15F3N2/c18-17(19,20)15-9-6-14(7-10-15)12-22-16(21)11-8-13-4-2-1-3-5-13/h1-11H,12H2,(H2,21,22)/b11-8+
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1.40E+3n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil binding to recombinant human NR1a/NR2B receptors expressed in L(tk-) cells


Bioorg Med Chem Lett 13: 693-6 (2003)


Article DOI: 10.1016/s0960-894x(02)01060-0
BindingDB Entry DOI: 10.7270/Q2KK9D95
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50180547
PNG
(2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-6...)
Show SMILES C[C@@H](OC1CCC2NC1(CC2c1nnn(C)n1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H25F6N5O/c1-14(15-10-17(24(26,27)28)12-18(11-15)25(29,30)31)37-21-9-8-20-19(22-33-35-36(2)34-22)13-23(21,32-20)16-6-4-3-5-7-16/h3-7,10-12,14,19-21,32H,8-9,13H2,1-2H3/t14-,19?,20?,21?,23?/m1/s1
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1.80E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]labelled MK499 from cloned hERG expressed in HEK cells


Bioorg Med Chem Lett 16: 2008-12 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.069
BindingDB Entry DOI: 10.7270/Q28W3CWD
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50180548
PNG
(2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-1...)
Show SMILES C[C@@H](OC1CCC2NC1(CC2S(=O)(=O)c1ccccc1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C29H27F6NO3S/c1-18(19-14-21(28(30,31)32)16-22(15-19)29(33,34)35)39-26-13-12-24-25(40(37,38)23-10-6-3-7-11-23)17-27(26,36-24)20-8-4-2-5-9-20/h2-11,14-16,18,24-26,36H,12-13,17H2,1H3/t18-,24?,25?,26?,27?/m1/s1
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1.93E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]labelled MK499 from cloned hERG expressed in HEK cells


Bioorg Med Chem Lett 16: 2008-12 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.069
BindingDB Entry DOI: 10.7270/Q28W3CWD
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50180550
PNG
(2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-6...)
Show SMILES C[C@@H](OC1CCC2NC1(CC2c1nnnn1C)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H25F6N5O/c1-14(15-10-17(24(26,27)28)12-18(11-15)25(29,30)31)37-21-9-8-20-19(22-33-34-35-36(22)2)13-23(21,32-20)16-6-4-3-5-7-16/h3-7,10-12,14,19-21,32H,8-9,13H2,1-2H3/t14-,19?,20?,21?,23?/m1/s1
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2.80E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]labelled MK499 from cloned hERG expressed in HEK cells


Bioorg Med Chem Lett 16: 2008-12 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.069
BindingDB Entry DOI: 10.7270/Q28W3CWD
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50180555
PNG
(2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-6...)
Show SMILES C[C@@H](OC1CCC2NC1(CC2(F)c1nnn(C)n1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H24F7N5O/c1-14(15-10-17(24(27,28)29)12-18(11-15)25(30,31)32)38-20-9-8-19-22(26,21-34-36-37(2)35-21)13-23(20,33-19)16-6-4-3-5-7-16/h3-7,10-12,14,19-20,33H,8-9,13H2,1-2H3/t14-,19?,20?,22?,23?/m1/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]labelled MK499 from cloned hERG expressed in HEK cells


Bioorg Med Chem Lett 16: 2008-12 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.069
BindingDB Entry DOI: 10.7270/Q28W3CWD
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens (Human))
BDBM50124896
PNG
(CHEMBL350615 | N-Benzyl-benzamidine)
Show SMILES NC(=NCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C14H14N2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,15,16)
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1.00E+4n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil binding to recombinant human NR1a/NR2B receptors expressed in L(tk-) cells


Bioorg Med Chem Lett 13: 693-6 (2003)


Article DOI: 10.1016/s0960-894x(02)01060-0
BindingDB Entry DOI: 10.7270/Q2KK9D95
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50180551
PNG
(2-(3,5-bis(trifluoromethyl)benzyloxy)-6-fluoro-6-(...)
Show SMILES Cn1nnc(n1)C1(F)CC2(NC1CCC2OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C24H22F7N5O/c1-36-34-20(33-35-36)21(25)13-22(15-5-3-2-4-6-15)19(8-7-18(21)32-22)37-12-14-9-16(23(26,27)28)11-17(10-14)24(29,30)31/h2-6,9-11,18-19,32H,7-8,12-13H2,1H3
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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]labelled MK499 from cloned hERG expressed in HEK cells


Bioorg Med Chem Lett 16: 2008-12 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.069
BindingDB Entry DOI: 10.7270/Q28W3CWD
More data for this
Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262675
PNG
(7-(3-Sulfamoyl-2-(2H-tetrazol-5-yl)- 4-(trifluorom...)
Show SMILES NC(=O)c1cc2cccc(-c3ccc(c(c3-c3nn[nH]n3)S(N)(=O)=O)C(F)(F)F)c2[nH]1
Show InChI InChI=1S/C17H10F3N7O3S/c18-17(19,20)10-5-4-8(12(14(10)31(22,29)30)16-24-26-27-25-16)9-3-1-2-7-6-11(15(21)28)23-13(7)9/h1-6H,(H2,21,28)(H2,22,29,30)/b9-8+
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US Patent
n/an/a 0.0250n/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 NDM-1


(Klebsiella pneumoniae)
BDBM262700
PNG
(3-(2-amino-1,3-benzothiazol- 7-yl)-2-(1H-tetrazol-...)
Show SMILES Nc1nc2cccc(-c3ccc(c(c3-c3nnn[nH]3)S(N)(=O)=O)C(F)(F)F)c2s1
Show InChI InChI=1S/C15H10F3N7O2S2/c16-15(17,18)8-5-4-6(7-2-1-3-9-11(7)28-14(19)21-9)10(12(8)29(20,26)27)13-22-24-25-23-13/h1-5H,(H2,19,21)(H2,20,26,27)(H,22,23,24,25)
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n/an/a 0.0500n/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)
BDBM262700
PNG
(3-(2-amino-1,3-benzothiazol- 7-yl)-2-(1H-tetrazol-...)
Show SMILES Nc1nc2cccc(-c3ccc(c(c3-c3nnn[nH]3)S(N)(=O)=O)C(F)(F)F)c2s1
Show InChI InChI=1S/C15H10F3N7O2S2/c16-15(17,18)8-5-4-6(7-2-1-3-9-11(7)28-14(19)21-9)10(12(8)29(20,26)27)13-22-24-25-23-13/h1-5H,(H2,19,21)(H2,20,26,27)(H,22,23,24,25)
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US Patent
n/an/a 0.0620n/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)
BDBM262696
PNG
(3-(2-amino-1,3-benzothiazol- 6-yl)-2-(1H-tetrazol-...)
Show SMILES Nc1nc2ccc(cc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C15H10F3N7O2S2/c16-15(17,18)8-3-2-7(6-1-4-9-10(5-6)28-14(19)21-9)11(12(8)29(20,26)27)13-22-24-25-23-13/h1-5H,(H2,19,21)(H2,20,26,27)(H,22,23,24,25)
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US Patent
n/an/a 0.0630n/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)
BDBM262972
PNG
(4-[4-[3-sulfamoyl-2-(1H-tetrazol-5- yl)-4- (triflu...)
Show SMILES NC(=N)N1CCC(CC1)[C@H]1CC[C@@H](CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C20H27F3N8O2S/c21-20(22,23)15-6-5-14(16(17(15)34(26,32)33)18-27-29-30-28-18)13-3-1-11(2-4-13)12-7-9-31(10-8-12)19(24)25/h5-6,11-13H,1-4,7-10H2,(H3,24,25)(H2,26,32,33)(H,27,28,29,30)/t11-,13-
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n/an/a 0.0810n/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)
BDBM262672
PNG
(3-(1-Oxoisoindolin-4-yl)-2-(2H- tetrazol-5-yl)-6- ...)
Show SMILES NS(=O)(=O)c1c(ccc(-c2cccc3C(=O)NCc23)c1-c1nn[nH]n1)C(F)(F)F
Show InChI InChI=1S/C16H11F3N6O3S/c17-16(18,19)11-5-4-8(7-2-1-3-9-10(7)6-21-15(9)26)12(13(11)29(20,27)28)14-22-24-25-23-14/h1-5H,6H2,(H,21,26)(H2,20,27,28)(H,22,23,24,25)
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n/an/a 0.0900n/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 NDM-1


(Klebsiella pneumoniae)
BDBM262715
PNG
(3-(2-amino-4-methyl-1H-benzo[d]imidazol-7-yl)-2-(1...)
Show SMILES Cc1ccc(-c2ccc(c(c2-c2nnn[nH]2)S(N)(=O)=O)C(F)(F)F)c2[nH]c(N)nc12
Show InChI InChI=1S/C16H11F3N8O2S/c1-6-2-3-8(12-11(6)22-15(20)23-12)7-4-5-9(16(17,18)19)13(30(21,28)29)10(7)14-24-26-27-25-14/h2-5H,1H3,(H2,20,22)(H2,21,28,29)/b8-7+
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n/an/a 0.0980n/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
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM286224
PNG
(4-(6-fluoro-3-ethylimidazo[1,2- a]pyridin-2-yl)iso...)
Show SMILES Cc1c(nc2ccc(F)cn12)-c1cncc2ccccc12
Show InChI InChI=1S/C17H12FN3/c1-11-17(20-16-7-6-13(18)10-21(11)16)15-9-19-8-12-4-2-3-5-14(12)15/h2-10H,1H3
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n/an/a 0.100n/an/an/an/an/an/a



Merck Sharp & Dohme

US Patent


Assay Description
V79 cell lines stably expressing the either the human CYP11B2 or the human CYP11B1 enzyme were generated using a standard transfection protocol. V79 ...


US Patent US9518055 (2016)

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


(Klebsiella pneumoniae)
BDBM262898
PNG
(3-(1-aminoisoquinolin-6-yl)-2- (1H-tetrazol-5-yl)-...)
Show SMILES Nc1nccc2cc(ccc12)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H12F3N7O2S/c18-17(19,20)12-4-3-10(8-1-2-11-9(7-8)5-6-23-15(11)21)13(14(12)30(22,28)29)16-24-26-27-25-16/h1-7H,(H2,21,23)(H2,22,28,29)(H,24,25,26,27)
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US Patent
n/an/a 0.108n/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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