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Patent code US10301305

Compile Data Set for Download or QSAR

Found 252 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D-alanine--D-alanyl carrier protein ligase


(Staphylococcus aureus (strain SA113))
BDBM392802
PNG
(7-(1-cyclohexylbenzimidazol-5-yl)-5-[[(2R)-1-methy...)
Show SMILES CN1CCC[C@@H]1COc1cc(-c2ccc3n(cnc3c2)C2CCCCC2)c2nc[nH]c2c1C(N)=O
MMDB

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US Patent
n/an/a 0.400n/an/an/an/an/an/a



Mutabilis

US Patent


Assay Description
The assay buffer “AB” contained 50 mM Hepes pH8.0, 10 mM MgCl2, 50 mM KCl, 0.012% Triton-X100, 10 mM DTT and 100 nM Myelin-basic protein. The followi...


US Patent US10301305 (2019)


BindingDB Entry DOI: 10.7270/Q2R213Q5
More data for this
Ligand-Target Pair
D-alanine--D-alanyl carrier protein ligase


(Staphylococcus aureus (strain SA113))
BDBM392796
PNG
(5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-7-(1-tet...)
Show SMILES CN1CCC[C@@H]1COc1cc(-c2ccc3n(cnc3c2)C2CCCOC2)c2nc[nH]c2c1C(N)=O
MMDB

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US Patent


Assay Description
The assay buffer “AB” contained 50 mM Hepes pH8.0, 10 mM MgCl2, 50 mM KCl, 0.012% Triton-X100, 10 mM DTT and 100 nM Myelin-basic protein. The followi...


US Patent US10301305 (2019)


BindingDB Entry DOI: 10.7270/Q2R213Q5
More data for this
Ligand-Target Pair
D-alanine--D-alanyl carrier protein ligase


(Staphylococcus aureus (strain SA113))
BDBM392744
PNG
(7-(1-Cyclohexyl-1H-benzimidazol-5-yl)-5-(hexahydro...)
Show SMILES C1NCC2CN(CC12)c1cc(-c2ccc3n(cnc3c2)C2CCCCC2)c2nc[nH]c2n1
MMDB

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US Patent


Assay Description
The assay buffer “AB” contained 50 mM Hepes pH8.0, 10 mM MgCl2, 50 mM KCl, 0.012% Triton-X100, 10 mM DTT and 100 nM Myelin-basic protein. The followi...


US Patent US10301305 (2019)


BindingDB Entry DOI: 10.7270/Q2R213Q5
More data for this
Ligand-Target Pair
D-alanine--D-alanyl carrier protein ligase


(Enterococcus faecalis (strain ATCC 700802 / V583))
BDBM392796
PNG
(5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-7-(1-tet...)
Show SMILES CN1CCC[C@@H]1COc1cc(-c2ccc3n(cnc3c2)C2CCCOC2)c2nc[nH]c2c1C(N)=O
MMDB

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US Patent
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Mutabilis

US Patent


Assay Description
The assay buffer “AB” contained 50 mM Hepes pH8.0, 10 mM MgCl2, 50 mM KCl, 0.012% Triton-X100, 10 mM DTT and 100 nM Myelin-basic protein. The followi...


US Patent US10301305 (2019)


BindingDB Entry DOI: 10.7270/Q2R213Q5
More data for this
Ligand-Target Pair
D-alanine--D-alanyl carrier protein ligase


(Enterococcus faecalis (strain ATCC 700802 / V583))
BDBM392802
PNG
(7-(1-cyclohexylbenzimidazol-5-yl)-5-[[(2R)-1-methy...)
Show SMILES CN1CCC[C@@H]1COc1cc(-c2ccc3n(cnc3c2)C2CCCCC2)c2nc[nH]c2c1C(N)=O
MMDB

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US Patent
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Mutabilis

US Patent


Assay Description
The assay buffer “AB” contained 50 mM Hepes pH8.0, 10 mM MgCl2, 50 mM KCl, 0.012% Triton-X100, 10 mM DTT and 100 nM Myelin-basic protein. The followi...


US Patent US10301305 (2019)


BindingDB Entry DOI: 10.7270/Q2R213Q5
More data for this
Ligand-Target Pair
D-alanine--D-alanyl carrier protein ligase


(Enterococcus faecium E1679)
BDBM392794
PNG
(5-[4,4-bis(hydroxymethyl)-1-piperidyl]-7-(1-cycloh...)
Show SMILES NC(=O)c1c(cc(-c2ccc3n(cnc3c2)C2CCCCC2)c2nc[nH]c12)N1CCC(CO)(CO)CC1
Show InChI InChI=1S/C28H34N6O3/c29-27(37)24-23(33-10-8-28(14-35,15-36)9-11-33)13-20(25-26(24)31-16-30-25)18-6-7-22-21(12-18)32-17-34(22)19-4-2-1-3-5-19/h6-7,12-13,16-17,19,35-36H,1-5,8-11,14-15H2,(H2,29,37)(H,30,31)
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US Patent


Assay Description
The assay buffer “AB” contained 50 mM Hepes pH8.0, 10 mM MgCl2, 50 mM KCl, 0.012% Triton-X100, 10 mM DTT and 100 nM Myelin-basic protein. The followi...


US Patent US10301305 (2019)


BindingDB Entry DOI: 10.7270/Q2R213Q5
More data for this
Ligand-Target Pair
D-alanine--D-alanyl carrier protein ligase


(Enterococcus faecalis (strain ATCC 700802 / V583))
BDBM392769
PNG
(1′-Cyclohexyl-6-[methyl-(2-pyrrolidin-1-yl-e...)
Show SMILES CN(CCN1CCCC1)c1cc(-c2ccc3n(cnc3c2)C2CCCCC2)c2nc[nH]c2c1C(N)=O
Show InChI InChI=1S/C28H35N7O/c1-33(13-14-34-11-5-6-12-34)24-16-21(26-27(31-17-30-26)25(24)28(29)36)19-9-10-23-22(15-19)32-18-35(23)20-7-3-2-4-8-20/h9-10,15-18,20H,2-8,11-14H2,1H3,(H2,29,36)(H,30,31)
MMDB

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US Patent
n/an/a 2.90n/an/an/an/an/an/a



Mutabilis

US Patent


Assay Description
The assay buffer “AB” contained 50 mM Hepes pH8.0, 10 mM MgCl2, 50 mM KCl, 0.012% Triton-X100, 10 mM DTT and 100 nM Myelin-basic protein. The followi...


US Patent US10301305 (2019)


BindingDB Entry DOI: 10.7270/Q2R213Q5
More data for this
Ligand-Target Pair
D-alanine--D-alanyl carrier protein ligase


(Enterococcus faecium E1679)
BDBM392802
PNG
(7-(1-cyclohexylbenzimidazol-5-yl)-5-[[(2R)-1-methy...)
Show SMILES CN1CCC[C@@H]1COc1cc(-c2ccc3n(cnc3c2)C2CCCCC2)c2nc[nH]c2c1C(N)=O
MMDB

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Mutabilis

US Patent


Assay Description
The assay buffer “AB” contained 50 mM Hepes pH8.0, 10 mM MgCl2, 50 mM KCl, 0.012% Triton-X100, 10 mM DTT and 100 nM Myelin-basic protein. The followi...


US Patent US10301305 (2019)


BindingDB Entry DOI: 10.7270/Q2R213Q5
More data for this
Ligand-Target Pair
D-alanine--D-alanyl carrier protein ligase


(Enterococcus faecalis (strain ATCC 700802 / V583))
BDBM392795
PNG
(7-[1-[(1R,2R)-2-fluorocyclohexyl]benzimidazol-5-yl...)
Show SMILES NC(=O)c1c(OCC2CCCN2)cc(-c2ccc3n(cnc3c2)[C@@H]2CCCC[C@H]2F)c2nc[nH]c12
MMDB

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US Patent


Assay Description
The assay buffer “AB” contained 50 mM Hepes pH8.0, 10 mM MgCl2, 50 mM KCl, 0.012% Triton-X100, 10 mM DTT and 100 nM Myelin-basic protein. The followi...


US Patent US10301305 (2019)


BindingDB Entry DOI: 10.7270/Q2R213Q5
More data for this
Ligand-Target Pair
D-alanine--D-alanyl carrier protein ligase


(Staphylococcus aureus (strain SA113))
BDBM392795
PNG
(7-[1-[(1R,2R)-2-fluorocyclohexyl]benzimidazol-5-yl...)
Show SMILES NC(=O)c1c(OCC2CCCN2)cc(-c2ccc3n(cnc3c2)[C@@H]2CCCC[C@H]2F)c2nc[nH]c12
MMDB

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US Patent


Assay Description
The assay buffer “AB” contained 50 mM Hepes pH8.0, 10 mM MgCl2, 50 mM KCl, 0.012% Triton-X100, 10 mM DTT and 100 nM Myelin-basic protein. The followi...


US Patent US10301305 (2019)


BindingDB Entry DOI: 10.7270/Q2R213Q5
More data for this
Ligand-Target Pair
D-alanine--D-alanyl carrier protein ligase


(Enterococcus faecalis (strain ATCC 700802 / V583))
BDBM392774
PNG
(US10301305, Example 136 | rac-1′-((trans)-3-...)
Show SMILES C[C@H]1CCCC(C1)n1cnc2cc(ccc12)-c1cc(N(C)CCN(C)C)c(C(N)=O)c2[nH]cnc12
MMDB

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US Patent


Assay Description
The assay buffer “AB” contained 50 mM Hepes pH8.0, 10 mM MgCl2, 50 mM KCl, 0.012% Triton-X100, 10 mM DTT and 100 nM Myelin-basic protein. The followi...


US Patent US10301305 (2019)


BindingDB Entry DOI: 10.7270/Q2R213Q5
More data for this
Ligand-Target Pair
D-alanine--D-alanyl carrier protein ligase


(Enterococcus faecalis (strain ATCC 700802 / V583))
BDBM392785
PNG
(7-(3,4-Dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-5-(2-...)
Show SMILES C[NH+](C)CCOc1cc(-c2cnc3OCCCc3c2)c2nc[nH]c2c1C(N)=O
Show InChI InChI=1S/C20H23N5O3/c1-25(2)5-7-27-15-9-14(17-18(24-11-23-17)16(15)19(21)26)13-8-12-4-3-6-28-20(12)22-10-13/h8-11H,3-7H2,1-2H3,(H2,21,26)(H,23,24)/p+1
MMDB

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US Patent
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Mutabilis

US Patent


Assay Description
The assay buffer “AB” contained 50 mM Hepes pH8.0, 10 mM MgCl2, 50 mM KCl, 0.012% Triton-X100, 10 mM DTT and 100 nM Myelin-basic protein. The followi...


US Patent US10301305 (2019)


BindingDB Entry DOI: 10.7270/Q2R213Q5
More data for this
Ligand-Target Pair
D-alanine--D-alanyl carrier protein ligase


(Enterococcus faecalis (strain ATCC 700802 / V583))
BDBM392801
PNG
(7-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-5-[(1...)
Show SMILES CN1CCCC1COc1cc(-c2cnc3OCCCc3c2)c2nc[nH]c2c1C(N)=O
MMDB

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Mutabilis

US Patent


Assay Description
The assay buffer “AB” contained 50 mM Hepes pH8.0, 10 mM MgCl2, 50 mM KCl, 0.012% Triton-X100, 10 mM DTT and 100 nM Myelin-basic protein. The followi...


US Patent US10301305 (2019)


BindingDB Entry DOI: 10.7270/Q2R213Q5
More data for this
Ligand-Target Pair
D-alanine--D-alanyl carrier protein ligase


(Staphylococcus aureus (strain SA113))
BDBM392785
PNG
(7-(3,4-Dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-5-(2-...)
Show SMILES C[NH+](C)CCOc1cc(-c2cnc3OCCCc3c2)c2nc[nH]c2c1C(N)=O
Show InChI InChI=1S/C20H23N5O3/c1-25(2)5-7-27-15-9-14(17-18(24-11-23-17)16(15)19(21)26)13-8-12-4-3-6-28-20(12)22-10-13/h8-11H,3-7H2,1-2H3,(H2,21,26)(H,23,24)/p+1
MMDB

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US Patent


Assay Description
The assay buffer “AB” contained 50 mM Hepes pH8.0, 10 mM MgCl2, 50 mM KCl, 0.012% Triton-X100, 10 mM DTT and 100 nM Myelin-basic protein. The followi...


US Patent US10301305 (2019)


BindingDB Entry DOI: 10.7270/Q2R213Q5
More data for this
Ligand-Target Pair
D-alanine--D-alanyl carrier protein ligase


(Enterococcus faecalis (strain ATCC 700802 / V583))
BDBM392793
PNG
(7-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-5-[[(...)
Show SMILES CN1CCC[C@@H]1COc1cc(-c2cnc3OCCCc3c2)c2nc[nH]c2c1C(N)=O
MMDB

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Mutabilis

US Patent


Assay Description
The assay buffer “AB” contained 50 mM Hepes pH8.0, 10 mM MgCl2, 50 mM KCl, 0.012% Triton-X100, 10 mM DTT and 100 nM Myelin-basic protein. The followi...


US Patent US10301305 (2019)


BindingDB Entry DOI: 10.7270/Q2R213Q5
More data for this
Ligand-Target Pair
D-alanine--D-alanyl carrier protein ligase


(Enterococcus faecalis (strain ATCC 700802 / V583))
BDBM392779
PNG
(1′-(2,2-Difluoro-ethyl)-6-[(2-dimethylamino-...)
Show SMILES CN(C)CCN(C)c1cc(-c2ccc3n(CC(F)F)cnc3c2)c2nc[nH]c2c1C(N)=O
Show InChI InChI=1S/C22H25F2N7O/c1-29(2)6-7-30(3)17-9-14(20-21(27-11-26-20)19(17)22(25)32)13-4-5-16-15(8-13)28-12-31(16)10-18(23)24/h4-5,8-9,11-12,18H,6-7,10H2,1-3H3,(H2,25,32)(H,26,27)
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US Patent


Assay Description
The assay buffer “AB” contained 50 mM Hepes pH8.0, 10 mM MgCl2, 50 mM KCl, 0.012% Triton-X100, 10 mM DTT and 100 nM Myelin-basic protein. The followi...


US Patent US10301305 (2019)


BindingDB Entry DOI: 10.7270/Q2R213Q5
More data for this
Ligand-Target Pair
D-alanine--D-alanyl carrier protein ligase


(Staphylococcus aureus (strain SA113))
BDBM392774
PNG
(US10301305, Example 136 | rac-1′-((trans)-3-...)
Show SMILES C[C@H]1CCCC(C1)n1cnc2cc(ccc12)-c1cc(N(C)CCN(C)C)c(C(N)=O)c2[nH]cnc12
MMDB

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Mutabilis

US Patent


Assay Description
The assay buffer “AB” contained 50 mM Hepes pH8.0, 10 mM MgCl2, 50 mM KCl, 0.012% Triton-X100, 10 mM DTT and 100 nM Myelin-basic protein. The followi...


US Patent US10301305 (2019)


BindingDB Entry DOI: 10.7270/Q2R213Q5
More data for this
Ligand-Target Pair
D-alanine--D-alanyl carrier protein ligase


(Enterococcus faecium E1679)
BDBM392796
PNG
(5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-7-(1-tet...)
Show SMILES CN1CCC[C@@H]1COc1cc(-c2ccc3n(cnc3c2)C2CCCOC2)c2nc[nH]c2c1C(N)=O
MMDB

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Mutabilis

US Patent


Assay Description
The assay buffer “AB” contained 50 mM Hepes pH8.0, 10 mM MgCl2, 50 mM KCl, 0.012% Triton-X100, 10 mM DTT and 100 nM Myelin-basic protein. The followi...


US Patent US10301305 (2019)


BindingDB Entry DOI: 10.7270/Q2R213Q5
More data for this
Ligand-Target Pair
D-alanine--D-alanyl carrier protein ligase


(Staphylococcus aureus (strain SA113))
BDBM392793
PNG
(7-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-5-[[(...)
Show SMILES CN1CCC[C@@H]1COc1cc(-c2cnc3OCCCc3c2)c2nc[nH]c2c1C(N)=O
MMDB

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US Patent


Assay Description
The assay buffer “AB” contained 50 mM Hepes pH8.0, 10 mM MgCl2, 50 mM KCl, 0.012% Triton-X100, 10 mM DTT and 100 nM Myelin-basic protein. The followi...


US Patent US10301305 (2019)


BindingDB Entry DOI: 10.7270/Q2R213Q5
More data for this
Ligand-Target Pair
D-alanine--D-alanyl carrier protein ligase


(Staphylococcus aureus (strain SA113))
BDBM392801
PNG
(7-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-5-[(1...)
Show SMILES CN1CCCC1COc1cc(-c2cnc3OCCCc3c2)c2nc[nH]c2c1C(N)=O
MMDB

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Mutabilis

US Patent


Assay Description
The assay buffer “AB” contained 50 mM Hepes pH8.0, 10 mM MgCl2, 50 mM KCl, 0.012% Triton-X100, 10 mM DTT and 100 nM Myelin-basic protein. The followi...


US Patent US10301305 (2019)


BindingDB Entry DOI: 10.7270/Q2R213Q5
More data for this
Ligand-Target Pair
D-alanine--D-alanyl carrier protein ligase


(Enterococcus faecalis (strain ATCC 700802 / V583))
BDBM392781
PNG
(1′-((1R,2R)-2-Fluoro-cyclohexyl)-6-[(2-hydro...)
Show SMILES CN(CCO)c1cc(-c2ccc3n(cnc3c2)[C@@H]2CCCC[C@H]2F)c2nc[nH]c2c1C(N)=O
MMDB

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Mutabilis

US Patent


Assay Description
The assay buffer “AB” contained 50 mM Hepes pH8.0, 10 mM MgCl2, 50 mM KCl, 0.012% Triton-X100, 10 mM DTT and 100 nM Myelin-basic protein. The followi...


US Patent US10301305 (2019)


BindingDB Entry DOI: 10.7270/Q2R213Q5
More data for this
Ligand-Target Pair
D-alanine--D-alanyl carrier protein ligase


(Staphylococcus aureus (strain SA113))
BDBM392786
PNG
(6-(2-Dimethylamino-ethoxy)-1′-ethyl-1H,1R...)
Show SMILES CCn1cnc2cc(ccc12)-c1cc(OCC[NH+](C)C)c(C(N)=O)c2[nH]cnc12
Show InChI InChI=1S/C21H24N6O2/c1-4-27-12-25-15-9-13(5-6-16(15)27)14-10-17(29-8-7-26(2)3)18(21(22)28)20-19(14)23-11-24-20/h5-6,9-12H,4,7-8H2,1-3H3,(H2,22,28)(H,23,24)/p+1
MMDB

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Mutabilis

US Patent


Assay Description
The assay buffer “AB” contained 50 mM Hepes pH8.0, 10 mM MgCl2, 50 mM KCl, 0.012% Triton-X100, 10 mM DTT and 100 nM Myelin-basic protein. The followi...


US Patent US10301305 (2019)


BindingDB Entry DOI: 10.7270/Q2R213Q5
More data for this
Ligand-Target Pair
D-alanine--D-alanyl carrier protein ligase


(Enterococcus faecalis (strain ATCC 700802 / V583))
BDBM392794
PNG
(5-[4,4-bis(hydroxymethyl)-1-piperidyl]-7-(1-cycloh...)
Show SMILES NC(=O)c1c(cc(-c2ccc3n(cnc3c2)C2CCCCC2)c2nc[nH]c12)N1CCC(CO)(CO)CC1
Show InChI InChI=1S/C28H34N6O3/c29-27(37)24-23(33-10-8-28(14-35,15-36)9-11-33)13-20(25-26(24)31-16-30-25)18-6-7-22-21(12-18)32-17-34(22)19-4-2-1-3-5-19/h6-7,12-13,16-17,19,35-36H,1-5,8-11,14-15H2,(H2,29,37)(H,30,31)
MMDB

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US Patent
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Mutabilis

US Patent


Assay Description
The assay buffer “AB” contained 50 mM Hepes pH8.0, 10 mM MgCl2, 50 mM KCl, 0.012% Triton-X100, 10 mM DTT and 100 nM Myelin-basic protein. The followi...


US Patent US10301305 (2019)


BindingDB Entry DOI: 10.7270/Q2R213Q5
More data for this
Ligand-Target Pair
D-alanine--D-alanyl carrier protein ligase


(Staphylococcus aureus (strain SA113))
BDBM392767
PNG
(6-[(2-dimethylamino-ethyl)-methyl-amino]-1′-...)
Show SMILES CN(C)CCN(C)c1cc(-c2ccc3n(cnc3c2)C2CCCOC2)c2nc[nH]c2c1C(N)=O
MMDB

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US Patent


Assay Description
The assay buffer “AB” contained 50 mM Hepes pH8.0, 10 mM MgCl2, 50 mM KCl, 0.012% Triton-X100, 10 mM DTT and 100 nM Myelin-basic protein. The followi...


US Patent US10301305 (2019)


BindingDB Entry DOI: 10.7270/Q2R213Q5
More data for this
Ligand-Target Pair
D-alanine--D-alanyl carrier protein ligase


(Enterococcus faecalis (strain ATCC 700802 / V583))
BDBM392789
PNG
(7-(1-butylbenzimidazol-5-yl)-5-[2-(dimethylamino)e...)
Show SMILES CCCCn1cnc2cc(ccc12)-c1cc(N(C)CCN(C)C)c(C(N)=O)c2[nH]cnc12
Show InChI InChI=1S/C24H31N7O/c1-5-6-9-31-15-28-18-12-16(7-8-19(18)31)17-13-20(30(4)11-10-29(2)3)21(24(25)32)23-22(17)26-14-27-23/h7-8,12-15H,5-6,9-11H2,1-4H3,(H2,25,32)(H,26,27)
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US Patent


Assay Description
The assay buffer “AB” contained 50 mM Hepes pH8.0, 10 mM MgCl2, 50 mM KCl, 0.012% Triton-X100, 10 mM DTT and 100 nM Myelin-basic protein. The followi...


US Patent US10301305 (2019)


BindingDB Entry DOI: 10.7270/Q2R213Q5
More data for this
Ligand-Target Pair
D-alanine--D-alanyl carrier protein ligase


(Enterococcus faecalis (strain ATCC 700802 / V583))
BDBM392778
PNG
(1′-(4,4-Difluoro-cyclohexyl)-6-[(2-dimethyla...)
Show SMILES CN(C)CCN(C)c1cc(-c2ccc3n(cnc3c2)C2CCC(F)(F)CC2)c2nc[nH]c2c1C(N)=O
Show InChI InChI=1S/C26H31F2N7O/c1-33(2)10-11-34(3)21-13-18(23-24(31-14-30-23)22(21)25(29)36)16-4-5-20-19(12-16)32-15-35(20)17-6-8-26(27,28)9-7-17/h4-5,12-15,17H,6-11H2,1-3H3,(H2,29,36)(H,30,31)
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US Patent


Assay Description
The assay buffer “AB” contained 50 mM Hepes pH8.0, 10 mM MgCl2, 50 mM KCl, 0.012% Triton-X100, 10 mM DTT and 100 nM Myelin-basic protein. The followi...


US Patent US10301305 (2019)


BindingDB Entry DOI: 10.7270/Q2R213Q5
More data for this
Ligand-Target Pair
D-alanine--D-alanyl carrier protein ligase


(Enterococcus faecalis (strain ATCC 700802 / V583))
BDBM392767
PNG
(6-[(2-dimethylamino-ethyl)-methyl-amino]-1′-...)
Show SMILES CN(C)CCN(C)c1cc(-c2ccc3n(cnc3c2)C2CCCOC2)c2nc[nH]c2c1C(N)=O
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US Patent


Assay Description
The assay buffer “AB” contained 50 mM Hepes pH8.0, 10 mM MgCl2, 50 mM KCl, 0.012% Triton-X100, 10 mM DTT and 100 nM Myelin-basic protein. The followi...


US Patent US10301305 (2019)


BindingDB Entry DOI: 10.7270/Q2R213Q5
More data for this
Ligand-Target Pair
D-alanine--D-alanyl carrier protein ligase


(Enterococcus faecalis (strain ATCC 700802 / V583))
BDBM392786
PNG
(6-(2-Dimethylamino-ethoxy)-1′-ethyl-1H,1R...)
Show SMILES CCn1cnc2cc(ccc12)-c1cc(OCC[NH+](C)C)c(C(N)=O)c2[nH]cnc12
Show InChI InChI=1S/C21H24N6O2/c1-4-27-12-25-15-9-13(5-6-16(15)27)14-10-17(29-8-7-26(2)3)18(21(22)28)20-19(14)23-11-24-20/h5-6,9-12H,4,7-8H2,1-3H3,(H2,22,28)(H,23,24)/p+1
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US Patent


Assay Description
The assay buffer “AB” contained 50 mM Hepes pH8.0, 10 mM MgCl2, 50 mM KCl, 0.012% Triton-X100, 10 mM DTT and 100 nM Myelin-basic protein. The followi...


US Patent US10301305 (2019)


BindingDB Entry DOI: 10.7270/Q2R213Q5
More data for this
Ligand-Target Pair
D-alanine--D-alanyl carrier protein ligase


(Enterococcus faecalis (strain ATCC 700802 / V583))
BDBM392797
PNG
(7-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-5-[3-...)
Show SMILES CN(C)C1CCCN(C1)c1cc(-c2cnc3OCCCc3c2)c2nc[nH]c2c1C(N)=O
MMDB

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US Patent


Assay Description
The assay buffer “AB” contained 50 mM Hepes pH8.0, 10 mM MgCl2, 50 mM KCl, 0.012% Triton-X100, 10 mM DTT and 100 nM Myelin-basic protein. The followi...


US Patent US10301305 (2019)


BindingDB Entry DOI: 10.7270/Q2R213Q5
More data for this
Ligand-Target Pair
D-alanine--D-alanyl carrier protein ligase


(Enterococcus faecalis (strain ATCC 700802 / V583))
BDBM392791
PNG
(5-[2-(dimethylamino)ethyl-methyl-amino]-7-[6-(dime...)
Show SMILES CN(C)CCN(C)c1cc(-c2ccc(nc2)N(C)C)c2nc[nH]c2c1C(N)=O
Show InChI InChI=1S/C20H27N7O/c1-25(2)8-9-27(5)15-10-14(13-6-7-16(22-11-13)26(3)4)18-19(24-12-23-18)17(15)20(21)28/h6-7,10-12H,8-9H2,1-5H3,(H2,21,28)(H,23,24)
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US Patent


Assay Description
The assay buffer “AB” contained 50 mM Hepes pH8.0, 10 mM MgCl2, 50 mM KCl, 0.012% Triton-X100, 10 mM DTT and 100 nM Myelin-basic protein. The followi...


US Patent US10301305 (2019)


BindingDB Entry DOI: 10.7270/Q2R213Q5
More data for this
Ligand-Target Pair
D-alanine--D-alanyl carrier protein ligase


(Enterococcus faecalis (strain ATCC 700802 / V583))
BDBM392784
PNG
(7-(3,4-Dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-5-[me...)
Show SMILES CN(CCN1CCCC1)c1cc(-c2cnc3OCCCc3c2)c2nc[nH]c2c1C(N)=O
Show InChI InChI=1S/C23H28N6O2/c1-28(8-9-29-6-2-3-7-29)18-12-17(20-21(27-14-26-20)19(18)22(24)30)16-11-15-5-4-10-31-23(15)25-13-16/h11-14H,2-10H2,1H3,(H2,24,30)(H,26,27)
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US Patent


Assay Description
The assay buffer “AB” contained 50 mM Hepes pH8.0, 10 mM MgCl2, 50 mM KCl, 0.012% Triton-X100, 10 mM DTT and 100 nM Myelin-basic protein. The followi...


US Patent US10301305 (2019)


BindingDB Entry DOI: 10.7270/Q2R213Q5
More data for this
Ligand-Target Pair
D-alanine--D-alanyl carrier protein ligase


(Staphylococcus aureus (strain SA113))
BDBM392742
PNG
(US10301305, Example 6 | {1-[7-(1-Cyclohexyl-1H-ben...)
Show SMILES OCC1(CO)CCN(CC1)c1cc(-c2ccc3n(cnc3c2)C2CCCCC2)c2nc[nH]c2n1
Show InChI InChI=1S/C26H32N6O2/c33-14-26(15-34)8-10-31(11-9-26)23-13-20(24-25(30-23)28-16-27-24)18-6-7-22-21(12-18)29-17-32(22)19-4-2-1-3-5-19/h6-7,12-13,16-17,19,33-34H,1-5,8-11,14-15H2,(H,27,28,30)
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US Patent


Assay Description
The assay buffer “AB” contained 50 mM Hepes pH8.0, 10 mM MgCl2, 50 mM KCl, 0.012% Triton-X100, 10 mM DTT and 100 nM Myelin-basic protein. The followi...


US Patent US10301305 (2019)


BindingDB Entry DOI: 10.7270/Q2R213Q5
More data for this
Ligand-Target Pair
D-alanine--D-alanyl carrier protein ligase


(Enterococcus faecalis (strain ATCC 700802 / V583))
BDBM392790
PNG
(5-[2-(dimethylamino)ethyl-methyl-amino]-7-(1-pheny...)
Show SMILES CN(C)CCN(C)c1cc(-c2ccc3n(cnc3c2)-c2ccccc2)c2nc[nH]c2c1C(N)=O
Show InChI InChI=1S/C26H27N7O/c1-31(2)11-12-32(3)22-14-19(24-25(29-15-28-24)23(22)26(27)34)17-9-10-21-20(13-17)30-16-33(21)18-7-5-4-6-8-18/h4-10,13-16H,11-12H2,1-3H3,(H2,27,34)(H,28,29)
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US Patent


Assay Description
The assay buffer “AB” contained 50 mM Hepes pH8.0, 10 mM MgCl2, 50 mM KCl, 0.012% Triton-X100, 10 mM DTT and 100 nM Myelin-basic protein. The followi...


US Patent US10301305 (2019)


BindingDB Entry DOI: 10.7270/Q2R213Q5
More data for this
Ligand-Target Pair
D-alanine--D-alanyl carrier protein ligase


(Staphylococcus aureus (strain SA113))
BDBM392746
PNG
(US10301305, Example 20 | {1-[4-(1-Cyclohexyl-1H-be...)
Show SMILES OCC1(CO)CCN(CC1)c1cc2[nH]cnc2c(n1)-c1ccc2n(cnc2c1)C1CCCCC1
Show InChI InChI=1S/C26H32N6O2/c33-14-26(15-34)8-10-31(11-9-26)23-13-21-25(28-16-27-21)24(30-23)18-6-7-22-20(12-18)29-17-32(22)19-4-2-1-3-5-19/h6-7,12-13,16-17,19,33-34H,1-5,8-11,14-15H2,(H,27,28)
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US Patent


Assay Description
The assay buffer “AB” contained 50 mM Hepes pH8.0, 10 mM MgCl2, 50 mM KCl, 0.012% Triton-X100, 10 mM DTT and 100 nM Myelin-basic protein. The followi...


US Patent US10301305 (2019)


BindingDB Entry DOI: 10.7270/Q2R213Q5
More data for this
Ligand-Target Pair
D-alanine--D-alanyl carrier protein ligase


(Staphylococcus aureus (strain SA113))
BDBM392778
PNG
(1′-(4,4-Difluoro-cyclohexyl)-6-[(2-dimethyla...)
Show SMILES CN(C)CCN(C)c1cc(-c2ccc3n(cnc3c2)C2CCC(F)(F)CC2)c2nc[nH]c2c1C(N)=O
Show InChI InChI=1S/C26H31F2N7O/c1-33(2)10-11-34(3)21-13-18(23-24(31-14-30-23)22(21)25(29)36)16-4-5-20-19(12-16)32-15-35(20)17-6-8-26(27,28)9-7-17/h4-5,12-15,17H,6-11H2,1-3H3,(H2,29,36)(H,30,31)
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US Patent


Assay Description
The assay buffer “AB” contained 50 mM Hepes pH8.0, 10 mM MgCl2, 50 mM KCl, 0.012% Triton-X100, 10 mM DTT and 100 nM Myelin-basic protein. The followi...


US Patent US10301305 (2019)


BindingDB Entry DOI: 10.7270/Q2R213Q5
More data for this
Ligand-Target Pair
D-alanine--D-alanyl carrier protein ligase


(Staphylococcus aureus (strain SA113))
BDBM392777
PNG
(6-[(2-Dimethylamino-ethyl)-methyl-amino]-1′-...)
Show SMILES CCn1cnc2cc(cc(OC)c12)-c1cc(N(C)CCN(C)C)c(C(N)=O)c2[nH]cnc12
Show InChI InChI=1S/C23H29N7O2/c1-6-30-13-27-16-9-14(10-18(32-5)22(16)30)15-11-17(29(4)8-7-28(2)3)19(23(24)31)21-20(15)25-12-26-21/h9-13H,6-8H2,1-5H3,(H2,24,31)(H,25,26)
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US Patent


Assay Description
The assay buffer “AB” contained 50 mM Hepes pH8.0, 10 mM MgCl2, 50 mM KCl, 0.012% Triton-X100, 10 mM DTT and 100 nM Myelin-basic protein. The followi...


US Patent US10301305 (2019)


BindingDB Entry DOI: 10.7270/Q2R213Q5
More data for this
Ligand-Target Pair
D-alanine--D-alanyl carrier protein ligase


(Staphylococcus aureus (strain SA113))
BDBM392779
PNG
(1′-(2,2-Difluoro-ethyl)-6-[(2-dimethylamino-...)
Show SMILES CN(C)CCN(C)c1cc(-c2ccc3n(CC(F)F)cnc3c2)c2nc[nH]c2c1C(N)=O
Show InChI InChI=1S/C22H25F2N7O/c1-29(2)6-7-30(3)17-9-14(20-21(27-11-26-20)19(17)22(25)32)13-4-5-16-15(8-13)28-12-31(16)10-18(23)24/h4-5,8-9,11-12,18H,6-7,10H2,1-3H3,(H2,25,32)(H,26,27)
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US Patent


Assay Description
The assay buffer “AB” contained 50 mM Hepes pH8.0, 10 mM MgCl2, 50 mM KCl, 0.012% Triton-X100, 10 mM DTT and 100 nM Myelin-basic protein. The followi...


US Patent US10301305 (2019)


BindingDB Entry DOI: 10.7270/Q2R213Q5
More data for this
Ligand-Target Pair
D-alanine--D-alanyl carrier protein ligase


(Enterococcus faecalis (strain ATCC 700802 / V583))
BDBM392775
PNG
(1′-Ethyl-6-[methyl-(2-methylamino-ethyl)-ami...)
Show SMILES CCN1C=NC2=CC(=CCC12)c1cc(N(C)CCN(C)C)c(C(N)=O)c2[nH]cnc12
MMDB

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US Patent


Assay Description
The assay buffer “AB” contained 50 mM Hepes pH8.0, 10 mM MgCl2, 50 mM KCl, 0.012% Triton-X100, 10 mM DTT and 100 nM Myelin-basic protein. The followi...


US Patent US10301305 (2019)


BindingDB Entry DOI: 10.7270/Q2R213Q5
More data for this
Ligand-Target Pair
D-alanine--D-alanyl carrier protein ligase


(Staphylococcus aureus (strain SA113))
BDBM392781
PNG
(1′-((1R,2R)-2-Fluoro-cyclohexyl)-6-[(2-hydro...)
Show SMILES CN(CCO)c1cc(-c2ccc3n(cnc3c2)[C@@H]2CCCC[C@H]2F)c2nc[nH]c2c1C(N)=O
MMDB

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US Patent


Assay Description
The assay buffer “AB” contained 50 mM Hepes pH8.0, 10 mM MgCl2, 50 mM KCl, 0.012% Triton-X100, 10 mM DTT and 100 nM Myelin-basic protein. The followi...


US Patent US10301305 (2019)


BindingDB Entry DOI: 10.7270/Q2R213Q5
More data for this
Ligand-Target Pair
D-alanine--D-alanyl carrier protein ligase


(Staphylococcus aureus (strain SA113))
BDBM392775
PNG
(1′-Ethyl-6-[methyl-(2-methylamino-ethyl)-ami...)
Show SMILES CCN1C=NC2=CC(=CCC12)c1cc(N(C)CCN(C)C)c(C(N)=O)c2[nH]cnc12
MMDB

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Assay Description
The assay buffer “AB” contained 50 mM Hepes pH8.0, 10 mM MgCl2, 50 mM KCl, 0.012% Triton-X100, 10 mM DTT and 100 nM Myelin-basic protein. The followi...


US Patent US10301305 (2019)


BindingDB Entry DOI: 10.7270/Q2R213Q5
More data for this
Ligand-Target Pair
D-alanine--D-alanyl carrier protein ligase


(Enterococcus faecalis (strain ATCC 700802 / V583))
BDBM392765
PNG
(1′-Cyclohexyl-6-[(2-hydroxy-ethyl)-methyl-am...)
Show SMILES CN(CCO)c1cc(-c2ccc3n(cnc3c2)C2CCCCC2)c2nc[nH]c2c1C(N)=O
Show InChI InChI=1S/C24H28N6O2/c1-29(9-10-31)20-12-17(22-23(27-13-26-22)21(20)24(25)32)15-7-8-19-18(11-15)28-14-30(19)16-5-3-2-4-6-16/h7-8,11-14,16,31H,2-6,9-10H2,1H3,(H2,25,32)(H,26,27)
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Assay Description
The assay buffer “AB” contained 50 mM Hepes pH8.0, 10 mM MgCl2, 50 mM KCl, 0.012% Triton-X100, 10 mM DTT and 100 nM Myelin-basic protein. The followi...


US Patent US10301305 (2019)


BindingDB Entry DOI: 10.7270/Q2R213Q5
More data for this
Ligand-Target Pair
D-alanine--D-alanyl carrier protein ligase


(Enterococcus faecalis (strain ATCC 700802 / V583))
BDBM392777
PNG
(6-[(2-Dimethylamino-ethyl)-methyl-amino]-1′-...)
Show SMILES CCn1cnc2cc(cc(OC)c12)-c1cc(N(C)CCN(C)C)c(C(N)=O)c2[nH]cnc12
Show InChI InChI=1S/C23H29N7O2/c1-6-30-13-27-16-9-14(10-18(32-5)22(16)30)15-11-17(29(4)8-7-28(2)3)19(23(24)31)21-20(15)25-12-26-21/h9-13H,6-8H2,1-5H3,(H2,24,31)(H,25,26)
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Assay Description
The assay buffer “AB” contained 50 mM Hepes pH8.0, 10 mM MgCl2, 50 mM KCl, 0.012% Triton-X100, 10 mM DTT and 100 nM Myelin-basic protein. The followi...


US Patent US10301305 (2019)


BindingDB Entry DOI: 10.7270/Q2R213Q5
More data for this
Ligand-Target Pair
D-alanine--D-alanyl carrier protein ligase


(Staphylococcus aureus (strain SA113))
BDBM392773
PNG
(6-[(2-Dimethylamino-ethyl)-methyl-amino]-1′-...)
Show SMILES COCCn1cnc2cc(ccc12)-c1cc(N(C)CCN(C)C)c(C(N)=O)c2[nH]cnc12
Show InChI InChI=1S/C23H29N7O2/c1-28(2)7-8-29(3)19-12-16(21-22(26-13-25-21)20(19)23(24)31)15-5-6-18-17(11-15)27-14-30(18)9-10-32-4/h5-6,11-14H,7-10H2,1-4H3,(H2,24,31)(H,25,26)
MMDB

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Assay Description
The assay buffer “AB” contained 50 mM Hepes pH8.0, 10 mM MgCl2, 50 mM KCl, 0.012% Triton-X100, 10 mM DTT and 100 nM Myelin-basic protein. The followi...


US Patent US10301305 (2019)


BindingDB Entry DOI: 10.7270/Q2R213Q5
More data for this
Ligand-Target Pair
D-alanine--D-alanyl carrier protein ligase


(Enterococcus faecalis (strain ATCC 700802 / V583))
BDBM392776
PNG
(7-(3,4-Dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-5-[(2...)
Show SMILES CN(C)CCN(C)c1cc(-c2cnc3OCCCc3c2)c2nc[nH]c2c1C(N)=O
Show InChI InChI=1S/C21H26N6O2/c1-26(2)6-7-27(3)16-10-15(18-19(25-12-24-18)17(16)20(22)28)14-9-13-5-4-8-29-21(13)23-11-14/h9-12H,4-8H2,1-3H3,(H2,22,28)(H,24,25)
MMDB

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US Patent
n/an/a 17n/an/an/an/an/an/a



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US Patent


Assay Description
The assay buffer “AB” contained 50 mM Hepes pH8.0, 10 mM MgCl2, 50 mM KCl, 0.012% Triton-X100, 10 mM DTT and 100 nM Myelin-basic protein. The followi...


US Patent US10301305 (2019)


BindingDB Entry DOI: 10.7270/Q2R213Q5
More data for this
Ligand-Target Pair
D-alanine--D-alanyl carrier protein ligase


(Staphylococcus aureus (strain SA113))
BDBM392790
PNG
(5-[2-(dimethylamino)ethyl-methyl-amino]-7-(1-pheny...)
Show SMILES CN(C)CCN(C)c1cc(-c2ccc3n(cnc3c2)-c2ccccc2)c2nc[nH]c2c1C(N)=O
Show InChI InChI=1S/C26H27N7O/c1-31(2)11-12-32(3)22-14-19(24-25(29-15-28-24)23(22)26(27)34)17-9-10-21-20(13-17)30-16-33(21)18-7-5-4-6-8-18/h4-10,13-16H,11-12H2,1-3H3,(H2,27,34)(H,28,29)
MMDB

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US Patent
n/an/a 17n/an/an/an/an/an/a



Mutabilis

US Patent


Assay Description
The assay buffer “AB” contained 50 mM Hepes pH8.0, 10 mM MgCl2, 50 mM KCl, 0.012% Triton-X100, 10 mM DTT and 100 nM Myelin-basic protein. The followi...


US Patent US10301305 (2019)


BindingDB Entry DOI: 10.7270/Q2R213Q5
More data for this
Ligand-Target Pair
D-alanine--D-alanyl carrier protein ligase


(Enterococcus faecalis (strain ATCC 700802 / V583))
BDBM392763
PNG
(1′-Cyclohexyl-6-(4-methyl-piperazin-1-yl)-1H...)
Show SMILES CN1CCN(CC1)c1cc(-c2ccc3n(cnc3c2)C2CCCCC2)c2nc[nH]c2c1C(N)=O
Show InChI InChI=1S/C26H31N7O/c1-31-9-11-32(12-10-31)22-14-19(24-25(29-15-28-24)23(22)26(27)34)17-7-8-21-20(13-17)30-16-33(21)18-5-3-2-4-6-18/h7-8,13-16,18H,2-6,9-12H2,1H3,(H2,27,34)(H,28,29)
MMDB

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n/an/a 18n/an/an/an/an/an/a



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US Patent


Assay Description
The assay buffer “AB” contained 50 mM Hepes pH8.0, 10 mM MgCl2, 50 mM KCl, 0.012% Triton-X100, 10 mM DTT and 100 nM Myelin-basic protein. The followi...


US Patent US10301305 (2019)


BindingDB Entry DOI: 10.7270/Q2R213Q5
More data for this
Ligand-Target Pair
D-alanine--D-alanyl carrier protein ligase


(Enterococcus faecalis (strain ATCC 700802 / V583))
BDBM392738
PNG
((3R,4R)-1-[7-(1-Cyclohexyl-1H-benzimidazol-5-yl)-3...)
Show SMILES OC[C@H]1CCN(C[C@@H]1O)c1cc(-c2ccc3n(cnc3c2)C2CCCCC2)c2nc[nH]c2n1
MMDB

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US Patent


Assay Description
The assay buffer “AB” contained 50 mM Hepes pH8.0, 10 mM MgCl2, 50 mM KCl, 0.012% Triton-X100, 10 mM DTT and 100 nM Myelin-basic protein. The followi...


US Patent US10301305 (2019)


BindingDB Entry DOI: 10.7270/Q2R213Q5
More data for this
Ligand-Target Pair
D-alanine--D-alanyl carrier protein ligase


(Enterococcus faecalis (strain ATCC 700802 / V583))
BDBM392742
PNG
(US10301305, Example 6 | {1-[7-(1-Cyclohexyl-1H-ben...)
Show SMILES OCC1(CO)CCN(CC1)c1cc(-c2ccc3n(cnc3c2)C2CCCCC2)c2nc[nH]c2n1
Show InChI InChI=1S/C26H32N6O2/c33-14-26(15-34)8-10-31(11-9-26)23-13-20(24-25(30-23)28-16-27-24)18-6-7-22-21(12-18)29-17-32(22)19-4-2-1-3-5-19/h6-7,12-13,16-17,19,33-34H,1-5,8-11,14-15H2,(H,27,28,30)
MMDB

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Assay Description
The assay buffer “AB” contained 50 mM Hepes pH8.0, 10 mM MgCl2, 50 mM KCl, 0.012% Triton-X100, 10 mM DTT and 100 nM Myelin-basic protein. The followi...


US Patent US10301305 (2019)


BindingDB Entry DOI: 10.7270/Q2R213Q5
More data for this
Ligand-Target Pair
D-alanine--D-alanyl carrier protein ligase


(Enterococcus faecium E1679)
BDBM392769
PNG
(1′-Cyclohexyl-6-[methyl-(2-pyrrolidin-1-yl-e...)
Show SMILES CN(CCN1CCCC1)c1cc(-c2ccc3n(cnc3c2)C2CCCCC2)c2nc[nH]c2c1C(N)=O
Show InChI InChI=1S/C28H35N7O/c1-33(13-14-34-11-5-6-12-34)24-16-21(26-27(31-17-30-26)25(24)28(29)36)19-9-10-23-22(15-19)32-18-35(23)20-7-3-2-4-8-20/h9-10,15-18,20H,2-8,11-14H2,1H3,(H2,29,36)(H,30,31)
MMDB

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Mutabilis

US Patent


Assay Description
The assay buffer “AB” contained 50 mM Hepes pH8.0, 10 mM MgCl2, 50 mM KCl, 0.012% Triton-X100, 10 mM DTT and 100 nM Myelin-basic protein. The followi...


US Patent US10301305 (2019)


BindingDB Entry DOI: 10.7270/Q2R213Q5
More data for this
Ligand-Target Pair
D-alanine--D-alanyl carrier protein ligase


(Enterococcus faecalis (strain ATCC 700802 / V583))
BDBM392744
PNG
(7-(1-Cyclohexyl-1H-benzimidazol-5-yl)-5-(hexahydro...)
Show SMILES C1NCC2CN(CC12)c1cc(-c2ccc3n(cnc3c2)C2CCCCC2)c2nc[nH]c2n1
MMDB

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US Patent


Assay Description
The assay buffer “AB” contained 50 mM Hepes pH8.0, 10 mM MgCl2, 50 mM KCl, 0.012% Triton-X100, 10 mM DTT and 100 nM Myelin-basic protein. The followi...


US Patent US10301305 (2019)


BindingDB Entry DOI: 10.7270/Q2R213Q5
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 252 total )  |  Next  |  Last  >>
* indicates data uncertainty>20%