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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Beta-2-microglobulin' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Beta-2-microglobulin


(Homo sapiens (Human))
BDBM52947
PNG
((2Z,4S,4aR,5S,5aR,6R,12aS)-2-[amino(hydroxy)methyl...)
Show SMILES C[C@@H]1[C@H]2[C@H](O)[C@H]3[C@H](N(C)C)C(=O)C(C(N)=O)C(=O)[C@@]3(O)C(=O)C2C(=O)c2c(O)cccc12
Show InChI InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,12-15,17,25,27,32H,1-3H3,(H2,23,31)/t7-,10+,12?,13?,14+,15-,17-,22-/m0/s1
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Article
PubMed
n/an/a 4.70E+4n/an/an/an/a7.437



University of Pavia



Assay Description
Inhibition of wild type beta-m fibrillogenesis tetracycline congeners and was follow by thioflavin fluorescence assay.


Citation and Details
More data for this
Ligand-Target Pair
Beta-2-microglobulin


(Homo sapiens (Human))
BDBM92397
PNG
(4-epi-oxytetracycline)
Show SMILES CN(C)[C@@H]1C2C(O)C3C(C(=O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O
Show InChI InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,10-14,17,25,28,32-33H,1-3H3,(H2,23,31)/t10?,11?,12?,13?,14-,17?,21-,22+/m1/s1
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UniChem

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Article
PubMed
n/an/a 4.90E+4n/an/an/an/a7.437



University of Pavia



Assay Description
Inhibition of wild type beta-m fibrillogenesis tetracycline congeners and was follow by thioflavin fluorescence assay.


Citation and Details
More data for this
Ligand-Target Pair
Beta-2-microglobulin


(Homo sapiens (Human))
BDBM37536
PNG
((2E,4S,4aR,5S,5aR,6S,12aS)-2-[amino(hydroxy)methyl...)
Show SMILES CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(C(=O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O
Show InChI InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,10-14,17,25,28,32-33H,1-3H3,(H2,23,31)/t10?,11?,12-,13-,14+,17+,21-,22+/m1/s1
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UniChem

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Article
PubMed
n/an/a 6.30E+4n/an/an/an/a7.437



University of Pavia



Assay Description
Inhibition of wild type beta-m fibrillogenesis tetracycline congeners and was follow by thioflavin fluorescence assay.


Citation and Details
More data for this
Ligand-Target Pair
Beta-2-microglobulin


(Homo sapiens (Human))
BDBM55038
PNG
((2E,4S,4aR,5S,5aR,12aS)-2-[amino(hydroxy)methylene...)
Show SMILES CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(C(=O)c4c(O)cccc4C3=C)C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O
Show InChI InChI=1S/C22H22N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-6,10,12-15,17,25,27,32H,1H2,2-3H3,(H2,23,31)/t10-,12?,13?,14-,15+,17+,22+/m1/s1
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UniChem

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Article
PubMed
n/an/a 6.90E+4n/an/an/an/a7.437



University of Pavia



Assay Description
Inhibition of wild type beta-m fibrillogenesis tetracycline congeners and was follow by thioflavin fluorescence assay.


Citation and Details
More data for this
Ligand-Target Pair
Beta-2-microglobulin


(Homo sapiens (Human))
BDBM92395
PNG
(Meclocycline)
Show SMILES CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(C(=O)c4c(O)ccc(Cl)c4C3=C)C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O
Show InChI InChI=1S/C22H21ClN2O8/c1-6-9-7(23)4-5-8(26)11(9)16(27)12-10(6)17(28)14-15(25(2)3)18(29)13(21(24)32)20(31)22(14,33)19(12)30/h4-5,10,12-15,17,26,28,33H,1H2,2-3H3,(H2,24,32)/t10-,12?,13?,14-,15+,17+,22+/m1/s1
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PubMed
n/an/a 9.80E+4n/an/an/an/a7.437



University of Pavia



Assay Description
Inhibition of wild type beta-m fibrillogenesis tetracycline congeners and was follow by thioflavin fluorescence assay.


Citation and Details
More data for this
Ligand-Target Pair
Beta-2-microglobulin


(Homo sapiens (Human))
BDBM92399
PNG
(Anhydrochlortetracycline)
Show SMILES CN(C)[C@H]1[C@@H]2Cc3c(C)c4c(Cl)ccc(O)c4c(O)c3C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O
Show InChI InChI=1S/C22H21ClN2O7/c1-7-8-6-9-16(25(2)3)18(28)15(21(24)31)20(30)22(9,32)19(29)13(8)17(27)14-11(26)5-4-10(23)12(7)14/h4-5,9,15-16,26-27,32H,6H2,1-3H3,(H2,24,31)/t9-,15?,16-,22-/m0/s1
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PC sid
UniChem
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Article
PubMed
n/an/a 1.36E+5n/an/an/an/a7.437



University of Pavia



Assay Description
Inhibition of wild type beta-m fibrillogenesis tetracycline congeners and was follow by thioflavin fluorescence assay.


Citation and Details
More data for this
Ligand-Target Pair
Beta-2-microglobulin


(Homo sapiens (Human))
BDBM92398
PNG
(Rolitetracycline)
Show SMILES CN(C)[C@H]1[C@@H]2C[C@H]3C(C(=O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(=O)NCN2CCCC2)C1=O
Show InChI InChI=1S/C27H33N3O8/c1-26(37)13-7-6-8-16(31)17(13)21(32)18-14(26)11-15-20(29(2)3)22(33)19(24(35)27(15,38)23(18)34)25(36)28-12-30-9-4-5-10-30/h6-8,14-15,18-20,31,37-38H,4-5,9-12H2,1-3H3,(H,28,36)/t14-,15-,18?,19?,20-,26+,27-/m0/s1
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Article
PubMed
n/an/a 1.36E+5n/an/an/an/a7.437



University of Pavia



Assay Description
Inhibition of wild type beta-m fibrillogenesis tetracycline congeners and was follow by thioflavin fluorescence assay.


Citation and Details
More data for this
Ligand-Target Pair