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Compile Data Set for Download or QSAR

Found 172 hits of ic50 data for polymerid = 49001104   
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
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM50243685
PNG
(CHEMBL4084573)
Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)Cc1cccc2ccccc12
Show InChI InChI=1S/C26H29ClN6/c27-22-10-8-19(9-11-22)12-15-33(18-21-6-3-5-20-4-1-2-7-24(20)21)23-13-16-32(17-14-23)26-29-25(28)30-31-26/h1-11,23H,12-18H2,(H3,28,29,30,31)
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n/an/a 3.40n/an/an/an/an/an/a



OncoArendi Therapeutics SA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length C-terminal His-tagged acidic mammalian chitinase expressed in CHO-K1 cells using 4-methylumbelliferyl-bet...


J Med Chem 61: 695-710 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01051
More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM50243795
PNG
(CHEMBL4077644)
Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)Cc1ccccc1Cl
Show InChI InChI=1S/C22H26Cl2N6/c23-18-7-5-16(6-8-18)9-12-30(15-17-3-1-2-4-20(17)24)19-10-13-29(14-11-19)22-26-21(25)27-28-22/h1-8,19H,9-15H2,(H3,25,26,27,28)
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n/an/a 3.5n/an/an/an/an/an/a



OncoArendi Therapeutics SA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length C-terminal His-tagged acidic mammalian chitinase expressed in CHO-K1 cells using 4-methylumbelliferyl-bet...


J Med Chem 61: 695-710 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01051
More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM50243799
PNG
(CHEMBL4077482)
Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)Cc1ccccc1
Show InChI InChI=1S/C22H27ClN6/c23-19-8-6-17(7-9-19)10-13-29(16-18-4-2-1-3-5-18)20-11-14-28(15-12-20)22-25-21(24)26-27-22/h1-9,20H,10-16H2,(H3,24,25,26,27)
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OncoArendi Therapeutics SA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length C-terminal His-tagged acidic mammalian chitinase expressed in CHO-K1 cells using 4-methylumbelliferyl-bet...


J Med Chem 61: 695-710 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01051
More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM50243746
PNG
(CHEMBL4068944)
Show SMILES CC(C)CN(CCc1ccc(Br)cc1)C1CCN(CC1)c1nc(N)n[nH]1
Show InChI InChI=1S/C19H29BrN6/c1-14(2)13-26(10-7-15-3-5-16(20)6-4-15)17-8-11-25(12-9-17)19-22-18(21)23-24-19/h3-6,14,17H,7-13H2,1-2H3,(H3,21,22,23,24)
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OncoArendi Therapeutics SA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length C-terminal His-tagged acidic mammalian chitinase expressed in CHO-K1 cells using 4-methylumbelliferyl-bet...


J Med Chem 61: 695-710 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01051
More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM50243760
PNG
(CHEMBL4082060)
Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)CC1CCCCC1
Show InChI InChI=1S/C22H33ClN6/c23-19-8-6-17(7-9-19)10-13-29(16-18-4-2-1-3-5-18)20-11-14-28(15-12-20)22-25-21(24)26-27-22/h6-9,18,20H,1-5,10-16H2,(H3,24,25,26,27)
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OncoArendi Therapeutics SA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length C-terminal His-tagged acidic mammalian chitinase expressed in CHO-K1 cells using 4-methylumbelliferyl-bet...


J Med Chem 61: 695-710 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01051
More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM50243745
PNG
(CHEMBL4076989)
Show SMILES CC(C)CN(CCc1ccc(Cl)cc1)C1CCN(CC1)c1nc(N)n[nH]1
Show InChI InChI=1S/C19H29ClN6/c1-14(2)13-26(10-7-15-3-5-16(20)6-4-15)17-8-11-25(12-9-17)19-22-18(21)23-24-19/h3-6,14,17H,7-13H2,1-2H3,(H3,21,22,23,24)
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n/an/a 14n/an/an/an/an/an/a



OncoArendi Therapeutics SA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length C-terminal His-tagged acidic mammalian chitinase expressed in CHO-K1 cells using 4-methylumbelliferyl-bet...


J Med Chem 61: 695-710 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01051
More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM50331851
PNG
(Allosamidin | CHEMBL1230997)
Show SMILES CN(C)C1=N[C@@H]2[C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H]3NC(C)=O)[C@@H](CO)[C@@H]2O1
Show InChI InChI=1/C25H42N4O14/c1-8(33)26-14-17(36)16(35)11(6-31)39-23(14)42-22-12(7-32)40-24(15(19(22)38)27-9(2)34)41-21-10(5-30)20-13(18(21)37)28-25(43-20)29(3)4/h10-24,30-32,35-38H,5-7H2,1-4H3,(H,26,33)(H,27,34)/t10-,11+,12+,13+,14+,15+,16+,17-,18+,19-,20-,21+,22+,23-,24-/s2
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n/an/a 40n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human chitinase


Bioorg Med Chem 18: 8334-40 (2010)


Article DOI: 10.1016/j.bmc.2010.09.062
BindingDB Entry DOI: 10.7270/Q2NZ87WR
More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM50243744
PNG
(CHEMBL4098997)
Show SMILES CCN(CCc1ccc(Br)cc1)C1CCN(CC1)c1nc(N)n[nH]1
Show InChI InChI=1S/C17H25BrN6/c1-2-23(10-7-13-3-5-14(18)6-4-13)15-8-11-24(12-9-15)17-20-16(19)21-22-17/h3-6,15H,2,7-12H2,1H3,(H3,19,20,21,22)
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n/an/a 73n/an/an/an/an/an/a



OncoArendi Therapeutics SA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length C-terminal His-tagged acidic mammalian chitinase expressed in CHO-K1 cells using 4-methylumbelliferyl-bet...


J Med Chem 61: 695-710 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01051
More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM349911
PNG
((S)-5-(4-(3-(4- chlorobenzyl)morpholino) piperidin...)
Show SMILES Nc1nnc([nH]1)N1CCC(CC1)N1CCOCC1Cc1ccc(Cl)cc1
Show InChI InChI=1/C18H25ClN6O/c19-14-3-1-13(2-4-14)11-16-12-26-10-9-25(16)15-5-7-24(8-6-15)18-21-17(20)22-23-18/h1-4,15-16H,5-12H2,(H3,20,21,22,23)
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n/an/a<100n/an/an/an/an/an/a



OncoArendi Therapeutics SA

US Patent


Assay Description
An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...


US Patent US9944624 (2018)

More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM349911
PNG
((S)-5-(4-(3-(4- chlorobenzyl)morpholino) piperidin...)
Show SMILES Nc1nnc([nH]1)N1CCC(CC1)N1CCOCC1Cc1ccc(Cl)cc1
Show InChI InChI=1/C18H25ClN6O/c19-14-3-1-13(2-4-14)11-16-12-26-10-9-25(16)15-5-7-24(8-6-15)18-21-17(20)22-23-18/h1-4,15-16H,5-12H2,(H3,20,21,22,23)
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n/an/a<100n/an/an/an/an/an/a



OncoArendi Therapeutics SA

US Patent


Assay Description
An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...


US Patent US9944624 (2018)

More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM349913
PNG
(Synthesis of (S)-5-(4-(3-(4-bromobenzyl)morpholino...)
Show SMILES Nc1nnc([nH]1)N1CCC(CC1)N1CCOCC1Cc1ccc(Br)cc1
Show InChI InChI=1/C18H25BrN6O/c19-14-3-1-13(2-4-14)11-16-12-26-10-9-25(16)15-5-7-24(8-6-15)18-21-17(20)22-23-18/h1-4,15-16H,5-12H2,(H3,20,21,22,23)
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OncoArendi Therapeutics SA

US Patent


Assay Description
An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...


US Patent US9944624 (2018)

More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM349914
PNG
(Synthesis of 5-(4-((2S,5S)-5-(4-chlorobenzyl)-2-me...)
Show SMILES C[C@H]1CN(C(Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nnc(N)[nH]1
Show InChI InChI=1/C19H27ClN6O/c1-13-11-26(17(12-27-13)10-14-2-4-15(20)5-3-14)16-6-8-25(9-7-16)19-22-18(21)23-24-19/h2-5,13,16-17H,6-12H2,1H3,(H3,21,22,23,24)/t13-,17?/s2
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OncoArendi Therapeutics SA

US Patent


Assay Description
An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...


US Patent US9944624 (2018)

More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM349915
PNG
(Synthesis of 5-(4-((2S,5S)-5-(4-chlorobenzyl)-2-et...)
Show SMILES CC[C@H]1CN(C(Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nnc(N)[nH]1
Show InChI InChI=1/C20H29ClN6O/c1-2-18-12-27(17(13-28-18)11-14-3-5-15(21)6-4-14)16-7-9-26(10-8-16)20-23-19(22)24-25-20/h3-6,16-18H,2,7-13H2,1H3,(H3,22,23,24,25)/t17?,18-/s2
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OncoArendi Therapeutics SA

US Patent


Assay Description
An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...


US Patent US9944624 (2018)

More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM349916
PNG
(Synthesis of 5-(4-((2S,5S)-5-(4-chlorobenzyl)-2-is...)
Show SMILES CC(C)[C@H]1CN(C(Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nnc(N)[nH]1
Show InChI InChI=1/C21H31ClN6O/c1-14(2)19-12-28(18(13-29-19)11-15-3-5-16(22)6-4-15)17-7-9-27(10-8-17)21-24-20(23)25-26-21/h3-6,14,17-19H,7-13H2,1-2H3,(H3,23,24,25,26)/t18?,19-/s2
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OncoArendi Therapeutics SA

US Patent


Assay Description
An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...


US Patent US9944624 (2018)

More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM349917
PNG
(Synthesis of 5-(4-((2S,5S)-5-(4-chlorobenzyl)-2-is...)
Show SMILES CC(C)C[C@H]1CN(C(Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nnc(N)[nH]1
Show InChI InChI=1/C22H33ClN6O/c1-15(2)11-20-13-29(19(14-30-20)12-16-3-5-17(23)6-4-16)18-7-9-28(10-8-18)22-25-21(24)26-27-22/h3-6,15,18-20H,7-14H2,1-2H3,(H3,24,25,26,27)/t19?,20-/s2
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OncoArendi Therapeutics SA

US Patent


Assay Description
An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...


US Patent US9944624 (2018)

More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM349919
PNG
((2R,5S)-4-(1-(5-amino-4H-1,2,4-triazol-3-yl)piperi...)
Show SMILES NC(=O)[C@H]1CN(C(Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nnc(N)[nH]1
Show InChI InChI=1/C19H26ClN7O2/c20-13-3-1-12(2-4-13)9-15-11-29-16(17(21)28)10-27(15)14-5-7-26(8-6-14)19-23-18(22)24-25-19/h1-4,14-16H,5-11H2,(H2,21,28)(H3,22,23,24,25)/t15?,16-/s2
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OncoArendi Therapeutics SA

US Patent


Assay Description
An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...


US Patent US9944624 (2018)

More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM349920
PNG
(5-(4-((2R,5S)-5-(4-chlorobenzyl)-2-(methoxymethyl)...)
Show SMILES COC[C@H]1CN(C(Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nnc(N)[nH]1
Show InChI InChI=1/C20H29ClN6O2/c1-28-13-18-11-27(17(12-29-18)10-14-2-4-15(21)5-3-14)16-6-8-26(9-7-16)20-23-19(22)24-25-20/h2-5,16-18H,6-13H2,1H3,(H3,22,23,24,25)/t17?,18-/s2
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OncoArendi Therapeutics SA

US Patent


Assay Description
An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...


US Patent US9944624 (2018)

More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM349921
PNG
(5-(4-((2R,5S)-5-(4-chlorobenzyl)-2-(ethoxymethyl)m...)
Show SMILES CCOC[C@H]1CN(C(Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nnc(N)[nH]1
Show InChI InChI=1/C21H31ClN6O2/c1-2-29-14-19-12-28(18(13-30-19)11-15-3-5-16(22)6-4-15)17-7-9-27(10-8-17)21-24-20(23)25-26-21/h3-6,17-19H,2,7-14H2,1H3,(H3,23,24,25,26)/t18?,19-/s2
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OncoArendi Therapeutics SA

US Patent


Assay Description
An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...


US Patent US9944624 (2018)

More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM349922
PNG
((2R,5S)-4-(1-(5-amino-4H-1,2,4-triazol-3-yl)piperi...)
Show SMILES CNC(=O)[C@H]1CN(C(Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nnc(N)[nH]1
Show InChI InChI=1/C20H28ClN7O2/c1-23-18(29)17-11-28(16(12-30-17)10-13-2-4-14(21)5-3-13)15-6-8-27(9-7-15)20-24-19(22)25-26-20/h2-5,15-17H,6-12H2,1H3,(H,23,29)(H3,22,24,25,26)/t16?,17-/s2
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OncoArendi Therapeutics SA

US Patent


Assay Description
An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...


US Patent US9944624 (2018)

More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM349923
PNG
(2-((2R,5S)-4-(1-(5-amino-4H-1,2,4-triazol-3-yl)pip...)
Show SMILES CC(C)(O)[C@H]1CN(C(Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nnc(N)[nH]1
Show InChI InChI=1/C21H31ClN6O2/c1-21(2,29)18-12-28(17(13-30-18)11-14-3-5-15(22)6-4-14)16-7-9-27(10-8-16)20-24-19(23)25-26-20/h3-6,16-18,29H,7-13H2,1-2H3,(H3,23,24,25,26)/t17?,18-/s2
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OncoArendi Therapeutics SA

US Patent


Assay Description
An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...


US Patent US9944624 (2018)

More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM349924
PNG
(5-(4-((2R,5S)-5-(4-chlorobenzyl)-2-(2-methoxypropa...)
Show SMILES COC(C)(C)[C@H]1CN(C(Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nnc(N)[nH]1
Show InChI InChI=1/C22H33ClN6O2/c1-22(2,30-3)19-13-29(18(14-31-19)12-15-4-6-16(23)7-5-15)17-8-10-28(11-9-17)21-25-20(24)26-27-21/h4-7,17-19H,8-14H2,1-3H3,(H3,24,25,26,27)/t18?,19-/s2
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OncoArendi Therapeutics SA

US Patent


Assay Description
An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...


US Patent US9944624 (2018)

More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM349925
PNG
((R)-5-(2-(4-chlorobenzyl)-[1,4′-bipiperidin]...)
Show SMILES Nc1nnc([nH]1)N1CCC(CC1)N1CCCCC1Cc1ccc(Cl)cc1
Show InChI InChI=1/C19H27ClN6/c20-15-6-4-14(5-7-15)13-17-3-1-2-10-26(17)16-8-11-25(12-9-16)19-22-18(21)23-24-19/h4-7,16-17H,1-3,8-13H2,(H3,21,22,23,24)
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OncoArendi Therapeutics SA

US Patent


Assay Description
An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...


US Patent US9944624 (2018)

More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM349926
PNG
(US10208020, Example 16 | US9944624, Ex. 16 | ethyl...)
Show SMILES CCOC(=O)C1CCC(Cc2ccc(Cl)cc2)N(C1)C1CCN(CC1)c1nnc(N)[nH]1
Show InChI InChI=1/C22H31ClN6O2/c1-2-31-20(30)16-5-8-19(13-15-3-6-17(23)7-4-15)29(14-16)18-9-11-28(12-10-18)22-25-21(24)26-27-22/h3-4,6-7,16,18-19H,2,5,8-14H2,1H3,(H3,24,25,26,27)
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OncoArendi Therapeutics SA

US Patent


Assay Description
An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...


US Patent US9944624 (2018)

More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM349927
PNG
((6R)-1′-(5-amino-4H-1,2,4-triazol-3-yl)-6-(4...)
Show SMILES Nc1nnc([nH]1)N1CCC(CC1)N1CC(CCC1Cc1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1/C20H27ClN6O2/c21-15-4-1-13(2-5-15)11-17-6-3-14(18(28)29)12-27(17)16-7-9-26(10-8-16)20-23-19(22)24-25-20/h1-2,4-5,14,16-17H,3,6-12H2,(H,28,29)(H3,22,23,24,25)
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OncoArendi Therapeutics SA

US Patent


Assay Description
An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...


US Patent US9944624 (2018)

More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM349928
PNG
((6R)-1′-(5-amino-4H-1,2,4-triazol-3-yl)-6-(4...)
Show SMILES CC1(CCC(Cc2ccc(Cl)cc2)N(C1)C1CCN(CC1)c1nnc(N)[nH]1)C(O)=O
Show InChI InChI=1/C21H29ClN6O2/c1-21(18(29)30)9-6-17(12-14-2-4-15(22)5-3-14)28(13-21)16-7-10-27(11-8-16)20-24-19(23)25-26-20/h2-5,16-17H,6-13H2,1H3,(H,29,30)(H3,23,24,25,26)
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OncoArendi Therapeutics SA

US Patent


Assay Description
An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...


US Patent US9944624 (2018)

More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM349929
PNG
(5-((2S,4R)-2-(4-chlorobenzyl)-4-methoxy-[1,4′...)
Show SMILES CO[C@@H]1CCN(C(Cc2ccc(Cl)cc2)C1)C1CCN(CC1)c1nnc(N)[nH]1
Show InChI InChI=1/C20H29ClN6O/c1-28-18-8-11-27(17(13-18)12-14-2-4-15(21)5-3-14)16-6-9-26(10-7-16)20-23-19(22)24-25-20/h2-5,16-18H,6-13H2,1H3,(H3,22,23,24,25)/t17?,18-/s2
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OncoArendi Therapeutics SA

US Patent


Assay Description
An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...


US Patent US9944624 (2018)

More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM349930
PNG
(5-((2S,4S)-2-(4-chlorobenzyl)-4-methoxy-[1,4′...)
Show SMILES CO[C@H]1CCN(C(Cc2ccc(Cl)cc2)C1)C1CCN(CC1)c1nnc(N)[nH]1
Show InChI InChI=1/C20H29ClN6O/c1-28-18-8-11-27(17(13-18)12-14-2-4-15(21)5-3-14)16-6-9-26(10-7-16)20-23-19(22)24-25-20/h2-5,16-18H,6-13H2,1H3,(H3,22,23,24,25)/t17?,18-/s2
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OncoArendi Therapeutics SA

US Patent


Assay Description
An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...


US Patent US9944624 (2018)

More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM349934
PNG
((R)-5-(4-(2-(4-chlorobenzyl)pyrrolidin-1-yl)piperi...)
Show SMILES Nc1nnc([nH]1)N1CCC(CC1)N1CCC[C@@H]1Cc1ccc(Cl)cc1
Show InChI InChI=1/C18H25ClN6/c19-14-5-3-13(4-6-14)12-16-2-1-9-25(16)15-7-10-24(11-8-15)18-21-17(20)22-23-18/h3-6,15-16H,1-2,7-12H2,(H3,20,21,22,23)/t16-/s2
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OncoArendi Therapeutics SA

US Patent


Assay Description
An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...


US Patent US9944624 (2018)

More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM388665
PNG
(5-(4-((2S,5S)-2-(4-chlorobenzyl)-4,5-dimethylpiper...)
Show SMILES C[C@H]1CN(C(Cc2ccc(Cl)cc2)CN1C)C1CCN(CC1)c1nnc(N)[nH]1
Show InChI InChI=1/C20H30ClN7/c1-14-12-28(17-7-9-27(10-8-17)20-23-19(22)24-25-20)18(13-26(14)2)11-15-3-5-16(21)6-4-15/h3-6,14,17-18H,7-13H2,1-2H3,(H3,22,23,24,25)/t14-,18?/s2
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OncoArendi Therapeutics SA

US Patent


Assay Description
An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...


US Patent US9944624 (2018)

More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM388669
PNG
(5-(4-((2S,5S)-2,5-bis(4-chlorobenzyl)-4-methylpipe...)
Show SMILES CN1CC(Cc2ccc(Cl)cc2)N(C[C@@H]1Cc1ccc(Cl)cc1)C1CCN(CC1)c1nnc(N)[nH]1
Show InChI InChI=1/C26H33Cl2N7/c1-33-16-24(15-19-4-8-21(28)9-5-19)35(17-23(33)14-18-2-6-20(27)7-3-18)22-10-12-34(13-11-22)26-30-25(29)31-32-26/h2-9,22-24H,10-17H2,1H3,(H3,29,30,31,32)/t23-,24?/s2
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OncoArendi Therapeutics SA

US Patent


Assay Description
An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...


US Patent US9944624 (2018)

More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM388670
PNG
(5-(4-((2S,5S)-2-(4-chlorobenzyl)-5-(cyclohexylmeth...)
Show SMILES CN1CC(Cc2ccc(Cl)cc2)N(C[C@@H]1CC1CCCCC1)C1CCN(CC1)c1nnc(N)[nH]1
Show InChI InChI=1/C26H40ClN7/c1-32-17-24(16-20-7-9-21(27)10-8-20)34(18-23(32)15-19-5-3-2-4-6-19)22-11-13-33(14-12-22)26-29-25(28)30-31-26/h7-10,19,22-24H,2-6,11-18H2,1H3,(H3,28,29,30,31)/t23-,24?/s2
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OncoArendi Therapeutics SA

US Patent


Assay Description
An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...


US Patent US9944624 (2018)

More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM388671
PNG
(5-(4-((2S,5S)-2-(4-chlorobenzyl)-5-isobutyl-4-meth...)
Show SMILES CC(C)C[C@H]1CN(C(Cc2ccc(Cl)cc2)CN1C)C1CCN(CC1)c1nnc(N)[nH]1
Show InChI InChI=1/C23H36ClN7/c1-16(2)12-20-15-31(19-8-10-30(11-9-19)23-26-22(25)27-28-23)21(14-29(20)3)13-17-4-6-18(24)7-5-17/h4-7,16,19-21H,8-15H2,1-3H3,(H3,25,26,27,28)/t20-,21?/s2
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OncoArendi Therapeutics SA

US Patent


Assay Description
An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...


US Patent US9944624 (2018)

More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM388678
PNG
(US9944624, Ex. 40 | methyl 2-((2S,5S)-4-(1-(5-amin...)
Show SMILES COC(=O)CN1CC(Cc2ccc(Cl)cc2)N(C[C@@H]1C)C1CCN(CC1)c1nnc(N)[nH]1
Show InChI InChI=1/C22H32ClN7O2/c1-15-12-30(18-7-9-28(10-8-18)22-25-21(24)26-27-22)19(13-29(15)14-20(31)32-2)11-16-3-5-17(23)6-4-16/h3-6,15,18-19H,7-14H2,1-2H3,(H3,24,25,26,27)/t15-,19?/s2
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OncoArendi Therapeutics SA

US Patent


Assay Description
An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...


US Patent US9944624 (2018)

More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM388679
PNG
(2-((2S,5S)-4-(1-(5-amino-4H-1,2,4-triazol-3-yl)pip...)
Show SMILES C[C@H]1CN(C(Cc2ccc(Cl)cc2)CN1CC(O)=O)C1CCN(CC1)c1nnc(N)[nH]1
Show InChI InChI=1/C21H30ClN7O2/c1-14-11-29(17-6-8-27(9-7-17)21-24-20(23)25-26-21)18(12-28(14)13-19(30)31)10-15-2-4-16(22)5-3-15/h2-5,14,17-18H,6-13H2,1H3,(H,30,31)(H3,23,24,25,26)/t14-,18?/s2
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OncoArendi Therapeutics SA

US Patent


Assay Description
An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...


US Patent US9944624 (2018)

More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM349956
PNG
(5-(4-((2S,4S)-2-(4-chlorobenzyl)-4-methoxypyrrolid...)
Show SMILES CO[C@H]1C[C@H](Cc2ccc(Cl)cc2)N(C1)C1CCN(CC1)c1nnc(N)[nH]1
Show InChI InChI=1/C19H27ClN6O/c1-27-17-11-16(10-13-2-4-14(20)5-3-13)26(12-17)15-6-8-25(9-7-15)19-22-18(21)23-24-19/h2-5,15-17H,6-12H2,1H3,(H3,21,22,23,24)/t16-,17-/s2
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OncoArendi Therapeutics SA

US Patent


Assay Description
An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...


US Patent US9944624 (2018)

More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM349957
PNG
((3S,5S)-1-(1-(5-amino-4H-1,2,4-triazol-3-yl)piperi...)
Show SMILES Nc1nnc([nH]1)N1CCC(CC1)N1C[C@@H](O)C[C@@H]1Cc1ccc(Cl)cc1
Show InChI InChI=1/C18H25ClN6O/c19-13-3-1-12(2-4-13)9-15-10-16(26)11-25(15)14-5-7-24(8-6-14)18-21-17(20)22-23-18/h1-4,14-16,26H,5-11H2,(H3,20,21,22,23)/t15-,16-/s2
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OncoArendi Therapeutics SA

US Patent


Assay Description
An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...


US Patent US9944624 (2018)

More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM349958
PNG
((5S)-1-(1-(5-amino-4H-1,2,4-triazol-3-yl)piperidin...)
Show SMILES CC1(O)C[C@H](Cc2ccc(Cl)cc2)N(C1)C1CCN(CC1)c1nnc(N)[nH]1
Show InChI InChI=1/C19H27ClN6O/c1-19(27)11-16(10-13-2-4-14(20)5-3-13)26(12-19)15-6-8-25(9-7-15)18-22-17(21)23-24-18/h2-5,15-16,27H,6-12H2,1H3,(H3,21,22,23,24)/t16-,19?/s2
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OncoArendi Therapeutics SA

US Patent


Assay Description
An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...


US Patent US9944624 (2018)

More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM388687
PNG
(5-(4-((3S,8aS)-3-(4-chlorobenzyl)hexahydropyrrolo[...)
Show SMILES Nc1nnc([nH]1)N1CCC(CC1)N1C[C@@H]2CCCN2CC1Cc1ccc(Cl)cc1
Show InChI InChI=1/C21H30ClN7/c22-16-5-3-15(4-6-16)12-19-13-28-9-1-2-18(28)14-29(19)17-7-10-27(11-8-17)21-24-20(23)25-26-21/h3-6,17-19H,1-2,7-14H2,(H3,23,24,25,26)/t18-,19?/s2
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OncoArendi Therapeutics SA

US Patent


Assay Description
An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...


US Patent US9944624 (2018)

More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM349960
PNG
((3R,5S)-1-(1-(5-amino-1H-1,2,4-triazol-3-yl)piperi...)
Show SMILES Nc1nc(n[nH]1)N1CCC(CC1)N1C[C@H](O)C[C@@H]1Cc1ccc(Cl)cc1
Show InChI InChI=1/C18H25ClN6O/c19-13-3-1-12(2-4-13)9-15-10-16(26)11-25(15)14-5-7-24(8-6-14)18-21-17(20)22-23-18/h1-4,14-16,26H,5-11H2,(H3,20,21,22,23)/t15-,16+/s2
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OncoArendi Therapeutics SA

US Patent


Assay Description
An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...


US Patent US9944624 (2018)

More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM349961
PNG
(3-(4-((2S,4R)-2-(4-chlorobenzyl)-4-methoxypyrrolid...)
Show SMILES CO[C@@H]1C[C@H](Cc2ccc(Cl)cc2)N(C1)C1CCN(CC1)c1n[nH]c(N)n1
Show InChI InChI=1/C19H27ClN6O/c1-27-17-11-16(10-13-2-4-14(20)5-3-13)26(12-17)15-6-8-25(9-7-15)19-22-18(21)23-24-19/h2-5,15-17H,6-12H2,1H3,(H3,21,22,23,24)/t16-,17+/s2
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OncoArendi Therapeutics SA

US Patent


Assay Description
An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...


US Patent US9944624 (2018)

More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM349965
PNG
((S)-5-(4-(3-(4-chlorobenzyl)-6-methylene-1,4-oxaze...)
Show SMILES Nc1nnc([nH]1)N1CCC(CC1)N1CC(=C)COC[C@@H]1Cc1ccc(Cl)cc1
Show InChI InChI=1/C20H27ClN6O/c1-14-11-27(17-6-8-26(9-7-17)20-23-19(22)24-25-20)18(13-28-12-14)10-15-2-4-16(21)5-3-15/h2-5,17-18H,1,6-13H2,(H3,22,23,24,25)/t18-/s2
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OncoArendi Therapeutics SA

US Patent


Assay Description
An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...


US Patent US9944624 (2018)

More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM349967
PNG
((S)-5-(4-(3-(4-chlorobenzyl)-1-methyl-2,3-dihydro-...)
Show SMILES CN1C[C@H](Cc2ccc(Cl)cc2)N(Cc2ccccc12)C1CCN(CC1)c1nnc(N)[nH]1
Show InChI InChI=1/C24H30ClN7/c1-30-16-21(14-17-6-8-19(25)9-7-17)32(15-18-4-2-3-5-22(18)30)20-10-12-31(13-11-20)24-27-23(26)28-29-24/h2-9,20-21H,10-16H2,1H3,(H3,26,27,28,29)/t21-/s2
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OncoArendi Therapeutics SA

US Patent


Assay Description
An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...


US Patent US9944624 (2018)

More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM349968
PNG
((S)-5-(4-(7-chloro-3-(4-chlorobenzyl)-1-methyl-2,3...)
Show SMILES CN1C[C@H](Cc2ccc(Cl)cc2)N(Cc2cc(Cl)ccc12)C1CCN(CC1)c1nnc(N)[nH]1
Show InChI InChI=1/C24H29Cl2N7/c1-31-15-21(12-16-2-4-18(25)5-3-16)33(14-17-13-19(26)6-7-22(17)31)20-8-10-32(11-9-20)24-28-23(27)29-30-24/h2-7,13,20-21H,8-12,14-15H2,1H3,(H3,27,28,29,30)/t21-/s2
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OncoArendi Therapeutics SA

US Patent


Assay Description
An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...


US Patent US9944624 (2018)

More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM349969
PNG
((S)-5-(4-(3-(4-chlorobenzyl)-2,3-dihydrobenzo[f][1...)
Show SMILES Nc1nnc([nH]1)N1CCC(CC1)N1Cc2ccccc2OC[C@@H]1Cc1ccc(Cl)cc1
Show InChI InChI=1/C23H27ClN6O/c24-18-7-5-16(6-8-18)13-20-15-31-21-4-2-1-3-17(21)14-30(20)19-9-11-29(12-10-19)23-26-22(25)27-28-23/h1-8,19-20H,9-15H2,(H3,25,26,27,28)/t20-/s2
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OncoArendi Therapeutics SA

US Patent


Assay Description
An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...


US Patent US9944624 (2018)

More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM349970
PNG
((S)-5-(4-(3-(4-chlorobenzyl)-7-fluoro-2,3-dihydrob...)
Show SMILES Nc1nnc([nH]1)N1CCC(CC1)N1Cc2cc(F)ccc2OC[C@@H]1Cc1ccc(Cl)cc1
Show InChI InChI=1/C23H26ClFN6O/c24-17-3-1-15(2-4-17)11-20-14-32-21-6-5-18(25)12-16(21)13-31(20)19-7-9-30(10-8-19)23-27-22(26)28-29-23/h1-6,12,19-20H,7-11,13-14H2,(H3,26,27,28,29)/t20-/s2
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OncoArendi Therapeutics SA

US Patent


Assay Description
An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...


US Patent US9944624 (2018)

More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM349971
PNG
((S)-5-(4-(7-chloro-3-(4-chlorobenzyl)-2,3-dihydrob...)
Show SMILES Nc1nnc([nH]1)N1CCC(CC1)N1Cc2cc(Cl)ccc2OC[C@@H]1Cc1ccc(Cl)cc1
Show InChI InChI=1/C23H26Cl2N6O/c24-17-3-1-15(2-4-17)11-20-14-32-21-6-5-18(25)12-16(21)13-31(20)19-7-9-30(10-8-19)23-27-22(26)28-29-23/h1-6,12,19-20H,7-11,13-14H2,(H3,26,27,28,29)/t20-/s2
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OncoArendi Therapeutics SA

US Patent


Assay Description
An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...


US Patent US9944624 (2018)

More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM349972
PNG
((S)-5-(4-(7,9-dichloro-3-(4-chlorobenzyl)-2,3-dihy...)
Show SMILES Nc1nnc([nH]1)N1CCC(CC1)N1Cc2cc(Cl)cc(Cl)c2OC[C@@H]1Cc1ccc(Cl)cc1
Show InChI InChI=1/C23H25Cl3N6O/c24-16-3-1-14(2-4-16)9-19-13-33-21-15(10-17(25)11-20(21)26)12-32(19)18-5-7-31(8-6-18)23-28-22(27)29-30-23/h1-4,10-11,18-19H,5-9,12-13H2,(H3,27,28,29,30)/t19-/s2
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OncoArendi Therapeutics SA

US Patent


Assay Description
An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...


US Patent US9944624 (2018)

More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM349973
PNG
((S)-5-(4-(3-(4-chlorobenzyl)-2,3-dihydropyrido[4,3...)
Show SMILES Nc1nnc([nH]1)N1CCC(CC1)N1Cc2ccncc2OC[C@@H]1Cc1ccc(Cl)cc1
Show InChI InChI=1/C22H26ClN7O/c23-17-3-1-15(2-4-17)11-19-14-31-20-12-25-8-5-16(20)13-30(19)18-6-9-29(10-7-18)22-26-21(24)27-28-22/h1-5,8,12,18-19H,6-7,9-11,13-14H2,(H3,24,26,27,28)/t19-/s2
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OncoArendi Therapeutics SA

US Patent


Assay Description
An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...


US Patent US9944624 (2018)

More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM349911
PNG
((S)-5-(4-(3-(4- chlorobenzyl)morpholino) piperidin...)
Show SMILES Nc1nnc([nH]1)N1CCC(CC1)N1CCOCC1Cc1ccc(Cl)cc1
Show InChI InChI=1/C18H25ClN6O/c19-14-3-1-13(2-4-14)11-16-12-26-10-9-25(16)15-5-7-24(8-6-15)18-21-17(20)22-23-18/h1-4,15-16H,5-12H2,(H3,20,21,22,23)
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OncoArendi Therapeutics SA

US Patent


Assay Description
An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...


US Patent US10208020 (2019)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q2RR21C4
More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM349911
PNG
((S)-5-(4-(3-(4- chlorobenzyl)morpholino) piperidin...)
Show SMILES Nc1nnc([nH]1)N1CCC(CC1)N1CCOCC1Cc1ccc(Cl)cc1
Show InChI InChI=1/C18H25ClN6O/c19-14-3-1-13(2-4-14)11-16-12-26-10-9-25(16)15-5-7-24(8-6-15)18-21-17(20)22-23-18/h1-4,15-16H,5-12H2,(H3,20,21,22,23)
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n/an/a<100n/an/an/an/an/an/a



OncoArendi Therapeutics SA

US Patent


Assay Description
An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...


US Patent US10208020 (2019)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q2RR21C4
More data for this
Ligand-Target Pair
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