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17 similar compounds to monomer 50347453

Compile data set for download or QSAR
Wt: 1255.0
BDBM36252
Wt: 286.2
BDBM50177403
Purchase
Wt: 284.2
BDBM50177404
Purchase
Wt: 284.2
BDBM50245886
Purchase
Wt: 254.2
BDBM50245887
Wt: 324.3
BDBM50245881
Wt: 372.3
BDBM50245834
Wt: 409.7
BDBM50347465
Wt: 390.3
BDBM50347449
Wt: 390.3
BDBM50347454
Wt: 444.2
BDBM50347456
Wt: 409.7
BDBM50347457
Wt: 375.3
BDBM50347459
Wt: 410.8
BDBM50399360
Wt: 376.3
BDBM50399362
Displayed 1 to 15 (of 17 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 28 hits for monomerid = 36252,50177403,50177404,50245886,50245887,50245881,50245834,50347465,50347449,50347454,50347456,50347457,50347459,50399360,50399362   
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
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50245887
PNG
(4-((2S,3R,4R,5R)-3,4,5-trihydroxy-tetrahydro-2H-py...)
Show SMILES O[C@@H]1CO[C@@H](Oc2ccc(C=O)cc2)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C12H14O6/c13-5-7-1-3-8(4-2-7)18-12-11(16)10(15)9(14)6-17-12/h1-5,9-12,14-16H,6H2/t9-,10-,11-,12+/m1/s1
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510n/an/an/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE by Ellman's method


Eur J Med Chem 43: 166-73 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.018
BindingDB Entry DOI: 10.7270/Q2DF6S3Z
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50245886
PNG
(4-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymet...)
Show SMILES OC[C@H]1O[C@@H](Oc2ccc(C=O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C13H16O7/c14-5-7-1-3-8(4-2-7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-5,9-13,15-18H,6H2/t9-,10-,11+,12-,13-/m1/s1
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730n/an/an/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE by Ellman's method


Eur J Med Chem 43: 166-73 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.018
BindingDB Entry DOI: 10.7270/Q2DF6S3Z
More data for this
Ligand-Target Pair
Succinate semialdehyde dehydrogenase


(Homo sapiens (Human))
BDBM50177403
PNG
((2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-(hydroxyme...)
Show SMILES OC[C@H]1O[C@@H](Oc2ccc(CO)cc2)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C13H18O7/c14-5-7-1-3-8(4-2-7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2/t9-,10-,11+,12-,13-/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against SSADH


Bioorg Med Chem Lett 16: 592-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.040
BindingDB Entry DOI: 10.7270/Q29G5MCH
More data for this
Ligand-Target Pair
Gamma-amino-N-butyrate transaminase


(Homo sapiens (Human))
BDBM50177404
PNG
(4-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymet...)
Show SMILES OC[C@H]1O[C@@H](Oc2ccc(C=O)cc2)[C@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C13H16O7/c14-5-7-1-3-8(4-2-7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-5,9-13,15-18H,6H2/t9-,10-,11-,12-,13-/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against GABAT


Bioorg Med Chem Lett 16: 592-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.040
BindingDB Entry DOI: 10.7270/Q29G5MCH
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50177404
PNG
(4-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymet...)
Show SMILES OC[C@H]1O[C@@H](Oc2ccc(C=O)cc2)[C@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C13H16O7/c14-5-7-1-3-8(4-2-7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-5,9-13,15-18H,6H2/t9-,10-,11-,12-,13-/m1/s1
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n/an/a 2.54E+6n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as 3,4-dihydroxy-L-phenylalanine oxidation


Bioorg Med Chem Lett 18: 6490-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.056
BindingDB Entry DOI: 10.7270/Q2959HFK
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50245834
PNG
(4-((2R,4aR,6S,7R,8S,8aS)-7,8-dihydroxy-2-phenyl-he...)
Show SMILES O[C@@H]1[C@H](O)[C@@H]2O[C@@H](OC[C@H]2O[C@H]1Oc1ccc(C=O)cc1)c1ccccc1
Show InChI InChI=1S/C20H20O7/c21-10-12-6-8-14(9-7-12)25-20-17(23)16(22)18-15(26-20)11-24-19(27-18)13-4-2-1-3-5-13/h1-10,15-20,22-23H,11H2/t15-,16+,17-,18-,19-,20-/m1/s1
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n/an/a 5.20E+4n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as 3,4-dihydroxy-L-phenylalanine oxidation


Bioorg Med Chem Lett 18: 6490-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.056
BindingDB Entry DOI: 10.7270/Q2959HFK
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50245881
PNG
(4-((3aR,4S,6R,7R,7aR)-7-hydroxy-6-(hydroxymethyl)-...)
Show SMILES CC1(C)O[C@@H]2[C@H](O1)[C@H](O)[C@@H](CO)O[C@H]2Oc1ccc(C=O)cc1
Show InChI InChI=1S/C16H20O7/c1-16(2)22-13-12(19)11(8-18)21-15(14(13)23-16)20-10-5-3-9(7-17)4-6-10/h3-7,11-15,18-19H,8H2,1-2H3/t11-,12-,13-,14-,15-/m1/s1
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n/an/a 6.20E+5n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as 3,4-dihydroxy-L-phenylalanine oxidation


Bioorg Med Chem Lett 18: 6490-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.056
BindingDB Entry DOI: 10.7270/Q2959HFK
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50245886
PNG
(4-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymet...)
Show SMILES OC[C@H]1O[C@@H](Oc2ccc(C=O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C13H16O7/c14-5-7-1-3-8(4-2-7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-5,9-13,15-18H,6H2/t9-,10-,11+,12-,13-/m1/s1
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n/an/a 9.40E+5n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as 3,4-dihydroxy-L-phenylalanine oxidation


Bioorg Med Chem Lett 18: 6490-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.056
BindingDB Entry DOI: 10.7270/Q2959HFK
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50245887
PNG
(4-((2S,3R,4R,5R)-3,4,5-trihydroxy-tetrahydro-2H-py...)
Show SMILES O[C@@H]1CO[C@@H](Oc2ccc(C=O)cc2)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C12H14O6/c13-5-7-1-3-8(4-2-7)18-12-11(16)10(15)9(14)6-17-12/h1-5,9-12,14-16H,6H2/t9-,10-,11-,12+/m1/s1
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n/an/a 2.80E+5n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as 3,4-dihydroxy-L-phenylalanine oxidation


Bioorg Med Chem Lett 18: 6490-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.056
BindingDB Entry DOI: 10.7270/Q2959HFK
More data for this
Ligand-Target Pair
Adhesin protein fimH


(Escherichia coli (strain K12))
BDBM50347449
PNG
(CHEMBL1171278)
Show SMILES COC(=O)c1ccc(cc1)-c1ccc(OC2OC(CO)C(O)C(O)C2O)cc1
Show InChI InChI=1S/C20H22O8/c1-26-19(25)13-4-2-11(3-5-13)12-6-8-14(9-7-12)27-20-18(24)17(23)16(22)15(10-21)28-20/h2-9,15-18,20-24H,10H2,1H3
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n/an/a 10.4n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Competitive inhibition of His-tagged FimH carbohydrate recognizing domain expressed in Escherichia coli HM125 using ABTS-substrate after 3 hrs by cal...


J Med Chem 53: 8627-41 (2010)


Article DOI: 10.1021/jm101011y
BindingDB Entry DOI: 10.7270/Q2Z32003
More data for this
Ligand-Target Pair
Adhesin protein fimH


(Escherichia coli (strain K12))
BDBM50347454
PNG
(CHEMBL1171678)
Show SMILES COC(=O)c1ccc(cc1)-c1cccc(OC2OC(CO)C(O)C(O)C2O)c1
Show InChI InChI=1S/C20H22O8/c1-26-19(25)12-7-5-11(6-8-12)13-3-2-4-14(9-13)27-20-18(24)17(23)16(22)15(10-21)28-20/h2-9,15-18,20-24H,10H2,1H3
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n/an/a 20n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Competitive inhibition of His-tagged FimH carbohydrate recognizing domain expressed in Escherichia coli HM125 using ABTS-substrate after 3 hrs by cal...


J Med Chem 53: 8627-41 (2010)


Article DOI: 10.1021/jm101011y
BindingDB Entry DOI: 10.7270/Q2Z32003
More data for this
Ligand-Target Pair
Adhesin protein fimH


(Escherichia coli (strain K12))
BDBM50347456
PNG
(CHEMBL1802192)
Show SMILES OC[C@H]1O[C@H](Oc2cc(Cl)c(c(Cl)c2)-c2ccc(cc2)C([O-])=O)[C@@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C19H18Cl2O8/c20-11-5-10(28-19-17(25)16(24)15(23)13(7-22)29-19)6-12(21)14(11)8-1-3-9(4-2-8)18(26)27/h1-6,13,15-17,19,22-25H,7H2,(H,26,27)/p-1/t13-,15-,16+,17+,19+/m1/s1
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n/an/a 23.9n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Competitive inhibition of His-tagged FimH carbohydrate recognizing domain expressed in Escherichia coli HM125 using ABTS-substrate after 3 hrs by cal...


J Med Chem 53: 8627-41 (2010)


Article DOI: 10.1021/jm101011y
BindingDB Entry DOI: 10.7270/Q2Z32003
More data for this
Ligand-Target Pair
Adhesin protein fimH


(Escherichia coli (strain K12))
BDBM50347457
PNG
(CHEMBL1802189)
Show SMILES OC[C@H]1O[C@H](Oc2ccc(c(Cl)c2)-c2ccc(cc2)C([O-])=O)[C@@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C19H19ClO8/c20-13-7-11(27-19-17(24)16(23)15(22)14(8-21)28-19)5-6-12(13)9-1-3-10(4-2-9)18(25)26/h1-7,14-17,19,21-24H,8H2,(H,25,26)/p-1/t14-,15-,16+,17+,19+/m1/s1
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n/an/a 27.6n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Competitive inhibition of His-tagged FimH carbohydrate recognizing domain expressed in Escherichia coli HM125 using ABTS-substrate after 3 hrs by cal...


J Med Chem 53: 8627-41 (2010)


Article DOI: 10.1021/jm101011y
BindingDB Entry DOI: 10.7270/Q2Z32003
More data for this
Ligand-Target Pair
Adhesin protein fimH


(Escherichia coli (strain K12))
BDBM50347459
PNG
(CHEMBL1802193)
Show SMILES OC[C@H]1O[C@H](Oc2cccc(c2)-c2ccc(cc2)C([O-])=O)[C@@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C19H20O8/c20-9-14-15(21)16(22)17(23)19(27-14)26-13-3-1-2-12(8-13)10-4-6-11(7-5-10)18(24)25/h1-8,14-17,19-23H,9H2,(H,24,25)/p-1/t14-,15-,16+,17+,19+/m1/s1
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n/an/a 38.7n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Competitive inhibition of His-tagged FimH carbohydrate recognizing domain expressed in Escherichia coli HM125 using ABTS-substrate after 3 hrs by cal...


J Med Chem 53: 8627-41 (2010)


Article DOI: 10.1021/jm101011y
BindingDB Entry DOI: 10.7270/Q2Z32003
More data for this
Ligand-Target Pair
Type 1 fimbiral adhesin FimH


(Escherichia coli (strain UTI89 / UPEC))
BDBM50347465
PNG
(CHEMBL1802185)
Show SMILES OC[C@H]1O[C@H](Oc2ccc(cc2Cl)-c2ccc(cc2)C([O-])=O)[C@@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C19H19ClO8/c20-12-7-11(9-1-3-10(4-2-9)18(25)26)5-6-13(12)27-19-17(24)16(23)15(22)14(8-21)28-19/h1-7,14-17,19,21-24H,8H2,(H,25,26)/p-1/t14-,15-,16+,17+,19+/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Antagonist activity at Escherichia coli UT189 FimH in guinea pig red blood cells assessed as disaggregation of bacteria after 600 secs by aggregometr...


J Med Chem 53: 8627-41 (2010)


Article DOI: 10.1021/jm101011y
BindingDB Entry DOI: 10.7270/Q2Z32003
More data for this
Ligand-Target Pair
Type 1 fimbiral adhesin FimH


(Escherichia coli (strain UTI89 / UPEC))
BDBM50347457
PNG
(CHEMBL1802189)
Show SMILES OC[C@H]1O[C@H](Oc2ccc(c(Cl)c2)-c2ccc(cc2)C([O-])=O)[C@@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C19H19ClO8/c20-13-7-11(27-19-17(24)16(23)15(22)14(8-21)28-19)5-6-12(13)9-1-3-10(4-2-9)18(25)26/h1-7,14-17,19,21-24H,8H2,(H,25,26)/p-1/t14-,15-,16+,17+,19+/m1/s1
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n/an/a 1.70E+4n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Antagonist activity at Escherichia coli UT189 FimH in guinea pig red blood cells assessed as disaggregation of bacteria after 600 secs by aggregometr...


J Med Chem 53: 8627-41 (2010)


Article DOI: 10.1021/jm101011y
BindingDB Entry DOI: 10.7270/Q2Z32003
More data for this
Ligand-Target Pair
Type 1 fimbiral adhesin FimH


(Escherichia coli (strain UTI89 / UPEC))
BDBM50347454
PNG
(CHEMBL1171678)
Show SMILES COC(=O)c1ccc(cc1)-c1cccc(OC2OC(CO)C(O)C(O)C2O)c1
Show InChI InChI=1S/C20H22O8/c1-26-19(25)12-7-5-11(6-8-12)13-3-2-4-14(9-13)27-20-18(24)17(23)16(22)15(10-21)28-20/h2-9,15-18,20-24H,10H2,1H3
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n/an/a 3.30E+4n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Antagonist activity at Escherichia coli UT189 FimH in guinea pig red blood cells assessed as disaggregation of bacteria after 600 secs by aggregometr...


J Med Chem 53: 8627-41 (2010)


Article DOI: 10.1021/jm101011y
BindingDB Entry DOI: 10.7270/Q2Z32003
More data for this
Ligand-Target Pair
Type 1 fimbiral adhesin FimH


(Escherichia coli (strain UTI89 / UPEC))
BDBM50347449
PNG
(CHEMBL1171278)
Show SMILES COC(=O)c1ccc(cc1)-c1ccc(OC2OC(CO)C(O)C(O)C2O)cc1
Show InChI InChI=1S/C20H22O8/c1-26-19(25)13-4-2-11(3-5-13)12-6-8-14(9-7-12)27-20-18(24)17(23)16(22)15(10-21)28-20/h2-9,15-18,20-24H,10H2,1H3
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n/an/a 4.20E+4n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Antagonist activity at Escherichia coli UT189 FimH in guinea pig red blood cells assessed as disaggregation of bacteria after 600 secs by aggregometr...


J Med Chem 53: 8627-41 (2010)


Article DOI: 10.1021/jm101011y
BindingDB Entry DOI: 10.7270/Q2Z32003
More data for this
Ligand-Target Pair
Type 1 fimbiral adhesin FimH


(Escherichia coli (strain UTI89 / UPEC))
BDBM50347459
PNG
(CHEMBL1802193)
Show SMILES OC[C@H]1O[C@H](Oc2cccc(c2)-c2ccc(cc2)C([O-])=O)[C@@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C19H20O8/c20-9-14-15(21)16(22)17(23)19(27-14)26-13-3-1-2-12(8-13)10-4-6-11(7-5-10)18(24)25/h1-8,14-17,19-23H,9H2,(H,24,25)/p-1/t14-,15-,16+,17+,19+/m1/s1
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n/an/a 4.50E+4n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Antagonist activity at Escherichia coli UT189 FimH in guinea pig red blood cells assessed as disaggregation of bacteria after 600 secs by aggregometr...


J Med Chem 53: 8627-41 (2010)


Article DOI: 10.1021/jm101011y
BindingDB Entry DOI: 10.7270/Q2Z32003
More data for this
Ligand-Target Pair
Adhesin protein fimH


(Escherichia coli (strain K12))
BDBM50347465
PNG
(CHEMBL1802185)
Show SMILES OC[C@H]1O[C@H](Oc2ccc(cc2Cl)-c2ccc(cc2)C([O-])=O)[C@@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C19H19ClO8/c20-12-7-11(9-1-3-10(4-2-9)18(25)26)5-6-13(12)27-19-17(24)16(23)15(22)14(8-21)28-19/h1-7,14-17,19,21-24H,8H2,(H,25,26)/p-1/t14-,15-,16+,17+,19+/m1/s1
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n/an/a 6.70n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Competitive inhibition of His-tagged FimH carbohydrate recognizing domain expressed in Escherichia coli HM125 using ABTS-substrate after 3 hrs by cal...


J Med Chem 53: 8627-41 (2010)


Article DOI: 10.1021/jm101011y
BindingDB Entry DOI: 10.7270/Q2Z32003
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50245886
PNG
(4-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymet...)
Show SMILES OC[C@H]1O[C@@H](Oc2ccc(C=O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C13H16O7/c14-5-7-1-3-8(4-2-7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-5,9-13,15-18H,6H2/t9-,10-,11+,12-,13-/m1/s1
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n/an/a 450n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE by Ellman's method


Eur J Med Chem 43: 166-73 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.018
BindingDB Entry DOI: 10.7270/Q2DF6S3Z
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50245887
PNG
(4-((2S,3R,4R,5R)-3,4,5-trihydroxy-tetrahydro-2H-py...)
Show SMILES O[C@@H]1CO[C@@H](Oc2ccc(C=O)cc2)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C12H14O6/c13-5-7-1-3-8(4-2-7)18-12-11(16)10(15)9(14)6-17-12/h1-5,9-12,14-16H,6H2/t9-,10-,11-,12+/m1/s1
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n/an/a 200n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE by Ellman's method


Eur J Med Chem 43: 166-73 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.018
BindingDB Entry DOI: 10.7270/Q2DF6S3Z
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50245886
PNG
(4-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymet...)
Show SMILES OC[C@H]1O[C@@H](Oc2ccc(C=O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C13H16O7/c14-5-7-1-3-8(4-2-7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-5,9-13,15-18H,6H2/t9-,10-,11+,12-,13-/m1/s1
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n/an/a 9.40E+5n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of diphenolase activity of mushroom tyrosinase


Bioorg Med Chem Lett 19: 4055-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.018
BindingDB Entry DOI: 10.7270/Q29024RP
More data for this
Ligand-Target Pair
C-type lectin domain family 4 member K


(Homo sapiens (Human))
BDBM50399360
PNG
(CHEMBL1852052)
Show SMILES OC[C@H]1O[C@H](Oc2ccc(cc2Cl)-c2ccc(cc2)C(O)=O)[C@@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C19H19ClO8/c20-12-7-11(9-1-3-10(4-2-9)18(25)26)5-6-13(12)27-19-17(24)16(23)15(22)14(8-21)28-19/h1-7,14-17,19,21-24H,8H2,(H,25,26)/t14-,15-,16+,17+,19+/m1/s1
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n/an/a 1.00E+6n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Displacement of biotinylated-TM PAA from human langerin after 3 hrs by colorimetry


J Med Chem 55: 9810-6 (2012)


Article DOI: 10.1021/jm3010338
BindingDB Entry DOI: 10.7270/Q2RV0PT3
More data for this
Ligand-Target Pair
Macrophage mannose receptor 1


(Homo sapiens (Human))
BDBM50399360
PNG
(CHEMBL1852052)
Show SMILES OC[C@H]1O[C@H](Oc2ccc(cc2Cl)-c2ccc(cc2)C(O)=O)[C@@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C19H19ClO8/c20-12-7-11(9-1-3-10(4-2-9)18(25)26)5-6-13(12)27-19-17(24)16(23)15(22)14(8-21)28-19/h1-7,14-17,19,21-24H,8H2,(H,25,26)/t14-,15-,16+,17+,19+/m1/s1
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n/an/a 1.00E+6n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Displacement of biotinylated-TM PAA from human MMR after 3 hrs by colorimetry


J Med Chem 55: 9810-6 (2012)


Article DOI: 10.1021/jm3010338
BindingDB Entry DOI: 10.7270/Q2RV0PT3
More data for this
Ligand-Target Pair
C-type lectin domain family 4 member C


(Homo sapiens (Human))
BDBM50399362
PNG
(CHEMBL1852236)
Show SMILES OC[C@H]1O[C@H](Oc2ccc(cc2)-c2ccc(cc2)C(O)=O)[C@@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C19H20O8/c20-9-14-15(21)16(22)17(23)19(27-14)26-13-7-5-11(6-8-13)10-1-3-12(4-2-10)18(24)25/h1-8,14-17,19-23H,9H2,(H,24,25)/t14-,15-,16+,17+,19+/m1/s1
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n/an/a 1.00E+6n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Displacement of biotinylated-TM PAA from human DLEC after 3 hrs by colorimetry


J Med Chem 55: 9810-6 (2012)


Article DOI: 10.1021/jm3010338
BindingDB Entry DOI: 10.7270/Q2RV0PT3
More data for this
Ligand-Target Pair
Gamma-amino-N-butyrate transaminase


(Homo sapiens (Human))
BDBM50177403
PNG
((2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-(hydroxyme...)
Show SMILES OC[C@H]1O[C@@H](Oc2ccc(CO)cc2)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C13H18O7/c14-5-7-1-3-8(4-2-7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2/t9-,10-,11+,12-,13-/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against GABAT


Bioorg Med Chem Lett 16: 592-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.040
BindingDB Entry DOI: 10.7270/Q29G5MCH
More data for this
Ligand-Target Pair
Succinate semialdehyde dehydrogenase


(Homo sapiens (Human))
BDBM50177404
PNG
(4-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymet...)
Show SMILES OC[C@H]1O[C@@H](Oc2ccc(C=O)cc2)[C@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C13H16O7/c14-5-7-1-3-8(4-2-7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-5,9-13,15-18H,6H2/t9-,10-,11-,12-,13-/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against SSADH


Bioorg Med Chem Lett 16: 592-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.040
BindingDB Entry DOI: 10.7270/Q29G5MCH
More data for this
Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 5 hits for monomerid = 36252,50177403,50177404,50245886,50245887,50245881,50245834,50347465,50347449,50347454,50347456,50347457,50347459,50399360,50399362
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
BDBM36252
JPEG
BDBM36251
JPEG
PC cid
PC sid
PC cid
PC sid
-5.30-1.20-4.093.897.2025



Nankai University





J Phys Chem B 112: 1445-50 (2008)

BDBM36252
JPEG
BDBM36253
JPEG
PC cid
PC sid
PC cid
PC sid
-5.41-2.02-3.393.977.2025



Nankai University





J Phys Chem B 112: 1445-50 (2008)

BDBM36252
JPEG
BDBM36253
JPEG
PC cid
PC sid
PC cid
PC sid
-5.32-1.82-3.503.907.2025



Nankai University





J Phys Chem B 112: 1445-50 (2008)

BDBM36252
JPEG
BDBM36253
JPEG
PC cid
PC sid
PC cid
PC sid
-5.15-1.55-3.603.787.2025



Nankai University





J Phys Chem B 112: 1445-50 (2008)

BDBM36252
JPEG
BDBM36253
JPEG
PC cid
PC sid
PC cid
PC sid
-4.520.292-4.813.327.2025



Nankai University





J Phys Chem B 112: 1445-50 (2008)