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Compile Data Set for Download or QSAR

Found 76 hits of ic50 data for polymerid = 50006094   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acidic mammalian chitinase


(Mus musculus)
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 6.20n/an/an/an/an/an/a



OncoArendi Therapeutics SA

Curated by ChEMBL


Assay Description
Inhibition of mouse 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
BindingDB Entry DOI: 10.7270/Q2J105J5
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Mus musculus)
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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n/an/a 8n/an/an/an/an/an/a



OncoArendi Therapeutics SA

Curated by ChEMBL


Assay Description
Inhibition of mouse 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
BindingDB Entry DOI: 10.7270/Q2J105J5
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Mus musculus)
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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n/an/a 8n/an/an/an/an/an/a



OncoArendi Therapeutics SA

Curated by ChEMBL


Assay Description
Inhibition of mouse 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
BindingDB Entry DOI: 10.7270/Q2J105J5
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Mus musculus)
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 9.70n/an/an/an/an/an/a



OncoArendi Therapeutics SA

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to the dopamine transporter


J Med Chem 61: 695-710 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01051
BindingDB Entry DOI: 10.7270/Q2J105J5
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Mus musculus)
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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n/an/a 11n/an/an/an/an/an/a



OncoArendi Therapeutics SA

Curated by ChEMBL


Assay Description
Inhibition of [3H]GBR-12935 binding to the dopamine transporter.


J Med Chem 61: 695-710 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01051
BindingDB Entry DOI: 10.7270/Q2J105J5
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Mus musculus)
BDBM50504017
PNG
(CHEMBL4541831)
Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)CC1CCCO1
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OncoArendi Therapeutics SA

Curated by ChEMBL


Assay Description
Inhibition of full-length C-terminal his-tagged mouse acidic mammalian chitinase expressed in CHO-K1 cells assessed as reduction in chitinolytic acti...


J Med Chem 62: 7126-7145 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00681
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Mus musculus)
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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OncoArendi Therapeutics SA

Curated by ChEMBL


Assay Description
Inhibition of mouse 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
BindingDB Entry DOI: 10.7270/Q2J105J5
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Mus musculus)
BDBM50504037
PNG
(CHEMBL4470253)
Show SMILES CO[C@@H]1C[C@H](Cc2ccc(Cl)cc2)N(C1)C1CCN(CC1)c1nc(N)n[nH]1
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n/an/a 21n/an/an/an/an/an/a



OncoArendi Therapeutics SA

Curated by ChEMBL


Assay Description
Inhibition of full-length C-terminal his-tagged mouse acidic mammalian chitinase expressed in CHO-K1 cells assessed as reduction in chitinolytic acti...


J Med Chem 62: 7126-7145 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00681
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Mus musculus)
BDBM50504021
PNG
(CHEMBL4453964)
Show SMILES CNS(=O)(=O)CCN(CCc1ccc(Cl)cc1)C1CCN(CC1)c1nc(N)n[nH]1
Show InChI InChI=1S/C18H28ClN7O2S/c1-21-29(27,28)13-12-25(9-6-14-2-4-15(19)5-3-14)16-7-10-26(11-8-16)18-22-17(20)23-24-18/h2-5,16,21H,6-13H2,1H3,(H3,20,22,23,24)
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OncoArendi Therapeutics SA

Curated by ChEMBL


Assay Description
Inhibition of full-length C-terminal his-tagged mouse acidic mammalian chitinase expressed in CHO-K1 cells assessed as reduction in chitinolytic acti...


J Med Chem 62: 7126-7145 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00681
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Mus musculus)
BDBM50504032
PNG
(CHEMBL4457342)
Show SMILES CS(=O)(=O)NCCN(CCc1ccc(Cl)cc1)C1CCN(CC1)c1nc(N)n[nH]1
Show InChI InChI=1S/C18H28ClN7O2S/c1-29(27,28)21-9-13-25(10-6-14-2-4-15(19)5-3-14)16-7-11-26(12-8-16)18-22-17(20)23-24-18/h2-5,16,21H,6-13H2,1H3,(H3,20,22,23,24)
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n/an/a 22n/an/an/an/an/an/a



OncoArendi Therapeutics SA

Curated by ChEMBL


Assay Description
Inhibition of full-length C-terminal his-tagged mouse acidic mammalian chitinase expressed in CHO-K1 cells assessed as reduction in chitinolytic acti...


J Med Chem 62: 7126-7145 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00681
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Mus musculus)
BDBM50504020
PNG
(CHEMBL4440077)
Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)C1COC1
Show InChI InChI=1S/C18H25ClN6O/c19-14-3-1-13(2-4-14)5-10-25(16-11-26-12-16)15-6-8-24(9-7-15)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 27n/an/an/an/an/an/a



OncoArendi Therapeutics SA

Curated by ChEMBL


Assay Description
Inhibition of full-length C-terminal his-tagged mouse acidic mammalian chitinase expressed in CHO-K1 cells assessed as reduction in chitinolytic acti...


J Med Chem 62: 7126-7145 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00681
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Mus musculus)
BDBM50504035
PNG
(CHEMBL4546929)
Show SMILES COC(C)(C)CN(CCc1ccc(Cl)cc1)C1CCN(CC1)c1nc(N)n[nH]1
Show InChI InChI=1S/C20H31ClN6O/c1-20(2,28-3)14-27(11-8-15-4-6-16(21)7-5-15)17-9-12-26(13-10-17)19-23-18(22)24-25-19/h4-7,17H,8-14H2,1-3H3,(H3,22,23,24,25)
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n/an/a 28n/an/an/an/an/an/a



OncoArendi Therapeutics SA

Curated by ChEMBL


Assay Description
Inhibition of full-length C-terminal his-tagged mouse acidic mammalian chitinase expressed in CHO-K1 cells assessed as reduction in chitinolytic acti...


J Med Chem 62: 7126-7145 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00681
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Mus musculus)
BDBM50504024
PNG
(CHEMBL4461925)
Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N1CCOC[C@@H]1Cc1ccc(Cl)cc1
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OncoArendi Therapeutics SA

Curated by ChEMBL


Assay Description
Inhibition of full-length C-terminal his-tagged mouse acidic mammalian chitinase expressed in CHO-K1 cells assessed as reduction in chitinolytic acti...


J Med Chem 62: 7126-7145 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00681
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Mus musculus)
BDBM50504036
PNG
(CHEMBL4472377)
Show SMILES CC(=O)NCCN(CCc1ccc(Cl)cc1)C1CCN(CC1)c1nc(N)n[nH]1
Show InChI InChI=1S/C19H28ClN7O/c1-14(28)22-9-13-26(10-6-15-2-4-16(20)5-3-15)17-7-11-27(12-8-17)19-23-18(21)24-25-19/h2-5,17H,6-13H2,1H3,(H,22,28)(H3,21,23,24,25)
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n/an/a 35n/an/an/an/an/an/a



OncoArendi Therapeutics SA

Curated by ChEMBL


Assay Description
Inhibition of full-length C-terminal his-tagged mouse acidic mammalian chitinase expressed in CHO-K1 cells assessed as reduction in chitinolytic acti...


J Med Chem 62: 7126-7145 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00681
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Mus musculus)
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 36n/an/an/an/an/an/a



OncoArendi Therapeutics SA

Curated by ChEMBL


Assay Description
Inhibition of mouse 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
BindingDB Entry DOI: 10.7270/Q2J105J5
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Mus musculus)
BDBM50504028
PNG
(CHEMBL4520755)
Show SMILES CO[C@@H](C)CN(CCc1ccc(Cl)cc1)C1CCN(CC1)c1nc(N)n[nH]1
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OncoArendi Therapeutics SA

Curated by ChEMBL


Assay Description
Inhibition of full-length C-terminal his-tagged mouse acidic mammalian chitinase expressed in CHO-K1 cells assessed as reduction in chitinolytic acti...


J Med Chem 62: 7126-7145 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00681
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Mus musculus)
BDBM50504031
PNG
(CHEMBL4521547)
Show SMILES COCCN(CCc1ccc(Cl)cc1)C1CCN(CC1)c1nc(N)n[nH]1
Show InChI InChI=1S/C18H27ClN6O/c1-26-13-12-24(9-6-14-2-4-15(19)5-3-14)16-7-10-25(11-8-16)18-21-17(20)22-23-18/h2-5,16H,6-13H2,1H3,(H3,20,21,22,23)
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OncoArendi Therapeutics SA

Curated by ChEMBL


Assay Description
Inhibition of full-length C-terminal his-tagged mouse acidic mammalian chitinase expressed in CHO-K1 cells assessed as reduction in chitinolytic acti...


J Med Chem 62: 7126-7145 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00681
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Mus musculus)
BDBM50504025
PNG
(CHEMBL4464754)
Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)CC1CCCCO1
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OncoArendi Therapeutics SA

Curated by ChEMBL


Assay Description
Inhibition of full-length C-terminal his-tagged mouse acidic mammalian chitinase expressed in CHO-K1 cells assessed as reduction in chitinolytic acti...


J Med Chem 62: 7126-7145 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00681
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Mus musculus)
BDBM50504016
PNG
(CHEMBL4537828)
Show SMILES CO[C@H]1C[C@H](Cc2ccc(Cl)cc2)N(C1)C1CCN(CC1)c1nc(N)n[nH]1
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OncoArendi Therapeutics SA

Curated by ChEMBL


Assay Description
Inhibition of full-length C-terminal his-tagged mouse acidic mammalian chitinase expressed in CHO-K1 cells assessed as reduction in chitinolytic acti...


J Med Chem 62: 7126-7145 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00681
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Mus musculus)
BDBM50504030
PNG
(CHEMBL4460797)
Show SMILES C[C@@H](O)CN(CCc1ccc(Cl)cc1)C1CCN(CC1)c1nc(N)n[nH]1
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OncoArendi Therapeutics SA

Curated by ChEMBL


Assay Description
Inhibition of full-length C-terminal his-tagged mouse acidic mammalian chitinase expressed in CHO-K1 cells assessed as reduction in chitinolytic acti...


J Med Chem 62: 7126-7145 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00681
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Mus musculus)
BDBM50504014
PNG
(CHEMBL4547227)
Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N1C[C@H](O)C[C@@H]1Cc1ccc(Cl)cc1
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OncoArendi Therapeutics SA

Curated by ChEMBL


Assay Description
Inhibition of full-length C-terminal his-tagged mouse acidic mammalian chitinase expressed in CHO-K1 cells assessed as reduction in chitinolytic acti...


J Med Chem 62: 7126-7145 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00681
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Mus musculus)
BDBM50504027
PNG
(CHEMBL4446970)
Show SMILES CC(C)(O)CN(CCc1ccc(Cl)cc1)C1CCN(CC1)c1nc(N)n[nH]1
Show InChI InChI=1S/C19H29ClN6O/c1-19(2,27)13-26(10-7-14-3-5-15(20)6-4-14)16-8-11-25(12-9-16)18-22-17(21)23-24-18/h3-6,16,27H,7-13H2,1-2H3,(H3,21,22,23,24)
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n/an/a 73n/an/an/an/an/an/a



OncoArendi Therapeutics SA

Curated by ChEMBL


Assay Description
Inhibition of full-length C-terminal his-tagged mouse acidic mammalian chitinase expressed in CHO-K1 cells assessed as reduction in chitinolytic acti...


J Med Chem 62: 7126-7145 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00681
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Mus musculus)
BDBM50504019
PNG
(CHEMBL4580568)
Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N1CCCC[C@@H]1Cc1ccc(Cl)cc1
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OncoArendi Therapeutics SA

Curated by ChEMBL


Assay Description
Inhibition of full-length C-terminal his-tagged mouse acidic mammalian chitinase expressed in CHO-K1 cells assessed as reduction in chitinolytic acti...


J Med Chem 62: 7126-7145 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00681
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Mus musculus)
BDBM50243743
PNG
(CHEMBL4072036)
Show SMILES CCN(CCc1ccc(Cl)cc1)C1CCN(CC1)c1nc(N)n[nH]1
Show InChI InChI=1S/C17H25ClN6/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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OncoArendi Therapeutics SA

Curated by ChEMBL


Assay Description
Inhibition of mouse 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
BindingDB Entry DOI: 10.7270/Q2J105J5
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Mus musculus)
BDBM50243742
PNG
(CHEMBL4086986)
Show SMILES CN(CCc1ccc(Br)cc1)C1CCN(CC1)c1nc(N)n[nH]1
Show InChI InChI=1S/C16H23BrN6/c1-22(9-6-12-2-4-13(17)5-3-12)14-7-10-23(11-8-14)16-19-15(18)20-21-16/h2-5,14H,6-11H2,1H3,(H3,18,19,20,21)
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OncoArendi Therapeutics SA

Curated by ChEMBL


Assay Description
Inhibition of mouse 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
BindingDB Entry DOI: 10.7270/Q2J105J5
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Mus musculus)
BDBM50504029
PNG
(CHEMBL4442416)
Show SMILES CO[C@H](C)CN(CCc1ccc(Cl)cc1)C1CCN(CC1)c1nc(N)n[nH]1
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OncoArendi Therapeutics SA

Curated by ChEMBL


Assay Description
Inhibition of full-length C-terminal his-tagged mouse acidic mammalian chitinase expressed in CHO-K1 cells assessed as reduction in chitinolytic acti...


J Med Chem 62: 7126-7145 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00681
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Mus musculus)
BDBM50504034
PNG
(CHEMBL4588384)
Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N1CCC[C@@H]1Cc1ccc(Cl)cc1
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OncoArendi Therapeutics SA

Curated by ChEMBL


Assay Description
Inhibition of full-length C-terminal his-tagged mouse acidic mammalian chitinase expressed in CHO-K1 cells assessed as reduction in chitinolytic acti...


J Med Chem 62: 7126-7145 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00681
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Mus musculus)
BDBM50453495
PNG
(CHEMBL4202739)
Show SMILES Nc1nc(n[nH]1)N1CCC(CC1)N1C[C@@H]2C[C@H](O)CN2C[C@@H]1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C21H30ClN7O/c22-15-3-1-14(2-4-15)9-18-11-28-13-19(30)10-17(28)12-29(18)16-5-7-27(8-6-16)21-24-20(23)25-26-21/h1-4,16-19,30H,5-13H2,(H3,23,24,25,26)/t17-,18-,19-/m0/s1
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TBA

Assay Description
Inhibition of mouse AMCase using 4-methylumbelliferyl beta-D-N,N' diacetylchitobioside hydrate as substrate measured after 60 mins by fluorometric me...


Citation and Details

Article DOI: 10.1016/j.bmcl.2017.12.047
BindingDB Entry DOI: 10.7270/Q2ZK5K77
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Mus musculus)
BDBM50504015
PNG
(CHEMBL4555101)
Show SMILES CNC(=O)NCCN(CCc1ccc(Cl)cc1)C1CCN(CC1)c1nc(N)n[nH]1
Show InChI InChI=1S/C19H29ClN8O/c1-22-19(29)23-9-13-27(10-6-14-2-4-15(20)5-3-14)16-7-11-28(12-8-16)18-24-17(21)25-26-18/h2-5,16H,6-13H2,1H3,(H2,22,23,29)(H3,21,24,25,26)
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OncoArendi Therapeutics SA

Curated by ChEMBL


Assay Description
Inhibition of full-length C-terminal his-tagged mouse acidic mammalian chitinase expressed in CHO-K1 cells assessed as reduction in chitinolytic acti...


J Med Chem 62: 7126-7145 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00681
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Mus musculus)
BDBM50504018
PNG
(CHEMBL4577776)
Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N(CCO)CCc1ccc(Cl)cc1
Show InChI InChI=1S/C17H25ClN6O/c18-14-3-1-13(2-4-14)5-8-23(11-12-25)15-6-9-24(10-7-15)17-20-16(19)21-22-17/h1-4,15,25H,5-12H2,(H3,19,20,21,22)
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OncoArendi Therapeutics SA

Curated by ChEMBL


Assay Description
Inhibition of full-length C-terminal his-tagged mouse acidic mammalian chitinase expressed in CHO-K1 cells assessed as reduction in chitinolytic acti...


J Med Chem 62: 7126-7145 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00681
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Mus musculus)
BDBM50453473
PNG
(CHEMBL4214400)
Show SMILES Nc1nc(n[nH]1)N1CCC(CC1)N1C[C@@H]2C[C@@H](O)CN2C[C@@H]1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C21H30ClN7O/c22-15-3-1-14(2-4-15)9-18-11-28-13-19(30)10-17(28)12-29(18)16-5-7-27(8-6-16)21-24-20(23)25-26-21/h1-4,16-19,30H,5-13H2,(H3,23,24,25,26)/t17-,18-,19+/m0/s1
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TBA

Assay Description
Inhibition of mouse AMCase using 4-methylumbelliferyl beta-D-N,N' diacetylchitobioside hydrate as substrate measured after 60 mins by fluorometric me...


Citation and Details

Article DOI: 10.1016/j.bmcl.2017.12.047
BindingDB Entry DOI: 10.7270/Q2ZK5K77
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Mus musculus)
BDBM50504039
PNG
(CHEMBL4442663)
Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N1C[C@@H](O)C[C@@H]1Cc1ccc(Cl)cc1
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OncoArendi Therapeutics SA

Curated by ChEMBL


Assay Description
Inhibition of full-length C-terminal his-tagged mouse acidic mammalian chitinase expressed in CHO-K1 cells assessed as reduction in chitinolytic acti...


J Med Chem 62: 7126-7145 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00681
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Mus musculus)
BDBM50504022
PNG
(CHEMBL4464943)
Show SMILES C[C@H](O)CN(CCc1ccc(Cl)cc1)C1CCN(CC1)c1nc(N)n[nH]1
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OncoArendi Therapeutics SA

Curated by ChEMBL


Assay Description
Inhibition of full-length C-terminal his-tagged mouse acidic mammalian chitinase expressed in CHO-K1 cells assessed as reduction in chitinolytic acti...


J Med Chem 62: 7126-7145 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00681
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Mus musculus)
BDBM50243800
PNG
(CHEMBL4075848)
Show SMILES CC(C)N(CCc1ccc(Cl)cc1)C1CCN(CC1)c1nc(N)n[nH]1
Show InChI InChI=1S/C18H27ClN6/c1-13(2)25(12-7-14-3-5-15(19)6-4-14)16-8-10-24(11-9-16)18-21-17(20)22-23-18/h3-6,13,16H,7-12H2,1-2H3,(H3,20,21,22,23)
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OncoArendi Therapeutics SA

Curated by ChEMBL


Assay Description
Inhibition of [3H]cocaine binding to the dopamine transporter.


J Med Chem 61: 695-710 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01051
BindingDB Entry DOI: 10.7270/Q2J105J5
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Mus musculus)
BDBM50453514
PNG
(CHEMBL4214868)
Show SMILES COC(=O)CN1C[C@H](Cc2ccc(Cl)cc2)N(C[C@@H]1C)C1CCN(CC1)c1n[nH]c(N)n1
Show InChI InChI=1S/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-/m0/s1
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TBA

Assay Description
Inhibition of mouse AMCase using 4-methylumbelliferyl beta-D-N,N' diacetylchitobioside hydrate as substrate measured after 60 mins by fluorometric me...


Citation and Details

Article DOI: 10.1016/j.bmcl.2017.12.047
BindingDB Entry DOI: 10.7270/Q2ZK5K77
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Mus musculus)
BDBM50243807
PNG
(CHEMBL4065553)
Show SMILES CN(CCc1ccc(Cl)cc1)C1CCN(CC1)c1nc(N)n[nH]1
Show InChI InChI=1S/C16H23ClN6/c1-22(9-6-12-2-4-13(17)5-3-12)14-7-10-23(11-8-14)16-19-15(18)20-21-16/h2-5,14H,6-11H2,1H3,(H3,18,19,20,21)
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OncoArendi Therapeutics SA

Curated by ChEMBL


Assay Description
Inhibition of [125I]RTI-55 cocaine binding to the dopamine transporter.


J Med Chem 61: 695-710 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01051
BindingDB Entry DOI: 10.7270/Q2J105J5
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Mus musculus)
BDBM50243798
PNG
(CHEMBL4084148)
Show SMILES CN(CCc1ccc(Cl)cc1Cl)C1CCN(CC1)c1nc(N)n[nH]1
Show InChI InChI=1S/C16H22Cl2N6/c1-23(7-4-11-2-3-12(17)10-14(11)18)13-5-8-24(9-6-13)16-20-15(19)21-22-16/h2-3,10,13H,4-9H2,1H3,(H3,19,20,21,22)
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OncoArendi Therapeutics SA

Curated by ChEMBL


Assay Description
Inhibition of mouse 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
BindingDB Entry DOI: 10.7270/Q2J105J5
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Mus musculus)
BDBM50504040
PNG
(CHEMBL4441922)
Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N1CCCC(C1)c1ccc(Cl)cc1
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OncoArendi Therapeutics SA

Curated by ChEMBL


Assay Description
Inhibition of full-length C-terminal his-tagged mouse acidic mammalian chitinase expressed in CHO-K1 cells assessed as reduction in chitinolytic acti...


J Med Chem 62: 7126-7145 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00681
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Mus musculus)
BDBM50504038
PNG
(CHEMBL4542155)
Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)CC(O)=O
Show InChI InChI=1S/C17H23ClN6O2/c18-13-3-1-12(2-4-13)5-8-24(11-15(25)26)14-6-9-23(10-7-14)17-20-16(19)21-22-17/h1-4,14H,5-11H2,(H,25,26)(H3,19,20,21,22)
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OncoArendi Therapeutics SA

Curated by ChEMBL


Assay Description
Inhibition of full-length C-terminal his-tagged mouse acidic mammalian chitinase expressed in CHO-K1 cells assessed as reduction in chitinolytic acti...


J Med Chem 62: 7126-7145 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00681
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Mus musculus)
BDBM50504033
PNG
(CHEMBL4466293)
Show SMILES CO[C@H]1CN([C@H]1Cc1ccc(Cl)cc1)C1CCN(CC1)c1nc(N)n[nH]1
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OncoArendi Therapeutics SA

Curated by ChEMBL


Assay Description
Inhibition of full-length C-terminal his-tagged mouse acidic mammalian chitinase expressed in CHO-K1 cells assessed as reduction in chitinolytic acti...


J Med Chem 62: 7126-7145 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00681
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Mus musculus)
BDBM50453472
PNG
(CHEMBL4218948)
Show SMILES CN1C[C@H](Cc2ccc(Cl)cc2)N(C[C@@H]1Cc1ccc(Cl)cc1)C1CCN(CC1)c1n[nH]c(N)n1
Show InChI InChI=1S/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-/m0/s1
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TBA

Assay Description
Inhibition of mouse AMCase using 4-methylumbelliferyl beta-D-N,N' diacetylchitobioside hydrate as substrate measured after 60 mins by fluorometric me...


Citation and Details

Article DOI: 10.1016/j.bmcl.2017.12.047
BindingDB Entry DOI: 10.7270/Q2ZK5K77
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Mus musculus)
BDBM50453524
PNG
(CHEMBL4207091)
Show SMILES Nc1nc(n[nH]1)N1CCC(CC1)N1C[C@@H]2CCCCN2C[C@@H]1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C22H32ClN7/c23-17-6-4-16(5-7-17)13-20-14-29-10-2-1-3-19(29)15-30(20)18-8-11-28(12-9-18)22-25-21(24)26-27-22/h4-7,18-20H,1-3,8-15H2,(H3,24,25,26,27)/t19-,20-/m0/s1
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TBA

Assay Description
Inhibition of mouse AMCase using 4-methylumbelliferyl beta-D-N,N' diacetylchitobioside hydrate as substrate measured after 60 mins by fluorometric me...


Citation and Details

Article DOI: 10.1016/j.bmcl.2017.12.047
BindingDB Entry DOI: 10.7270/Q2ZK5K77
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Mus musculus)
BDBM50453492
PNG
(CHEMBL4217181)
Show SMILES C[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CN1CC(O)=O)C1CCN(CC1)c1n[nH]c(N)n1
Show InChI InChI=1S/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-/m0/s1
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TBA

Assay Description
Inhibition of mouse AMCase using 4-methylumbelliferyl beta-D-N,N' diacetylchitobioside hydrate as substrate measured after 60 mins by fluorometric me...


Citation and Details

Article DOI: 10.1016/j.bmcl.2017.12.047
BindingDB Entry DOI: 10.7270/Q2ZK5K77
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Mus musculus)
BDBM50243691
PNG
(CHEMBL4081105)
Show SMILES CN(CCc1ccc(C)cc1)C1CCN(CC1)c1nc(N)n[nH]1
Show InChI InChI=1S/C17H26N6/c1-13-3-5-14(6-4-13)7-10-22(2)15-8-11-23(12-9-15)17-19-16(18)20-21-17/h3-6,15H,7-12H2,1-2H3,(H3,18,19,20,21)
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OncoArendi Therapeutics SA

Curated by ChEMBL


Assay Description
Inhibition of mouse 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
BindingDB Entry DOI: 10.7270/Q2J105J5
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Mus musculus)
BDBM50243704
PNG
(CHEMBL4068260)
Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)NS(=O)(=O)Cc1ccc(Br)cc1
Show InChI InChI=1S/C14H19BrN6O2S/c15-11-3-1-10(2-4-11)9-24(22,23)20-12-5-7-21(8-6-12)14-17-13(16)18-19-14/h1-4,12,20H,5-9H2,(H3,16,17,18,19)
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OncoArendi Therapeutics SA

Curated by ChEMBL


Assay Description
Inhibition of mouse 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
BindingDB Entry DOI: 10.7270/Q2J105J5
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Mus musculus)
BDBM50453522
PNG
(CHEMBL4214715)
Show SMILES CN1C[C@H](Cc2ccc(Cl)cc2)N(C[C@@H]1CC1CCCCC1)C1CCN(CC1)c1n[nH]c(N)n1
Show InChI InChI=1S/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-/m0/s1
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TBA

Assay Description
Inhibition of mouse AMCase using 4-methylumbelliferyl beta-D-N,N' diacetylchitobioside hydrate as substrate measured after 60 mins by fluorometric me...


Citation and Details

Article DOI: 10.1016/j.bmcl.2017.12.047
BindingDB Entry DOI: 10.7270/Q2ZK5K77
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Mus musculus)
BDBM50453470
PNG
(CHEMBL4218821)
Show SMILES Nc1nc(n[nH]1)N1CCC(CC1)N1C[C@@H]2CCCN2C[C@@H]1Cc1ccc(Cl)cc1
Show InChI InChI=1S/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-/m0/s1
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UniChem
Article
n/an/a 697n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mouse AMCase using 4-methylumbelliferyl beta-D-N,N' diacetylchitobioside hydrate as substrate measured after 60 mins by fluorometric me...


Citation and Details

Article DOI: 10.1016/j.bmcl.2017.12.047
BindingDB Entry DOI: 10.7270/Q2ZK5K77
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Mus musculus)
BDBM50453493
PNG
(CHEMBL4209639)
Show SMILES C[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CN1CC(=O)N(C)C)C1CCN(CC1)c1n[nH]c(N)n1
Show InChI InChI=1S/C23H35ClN8O/c1-16-13-32(19-8-10-30(11-9-19)23-26-22(25)27-28-23)20(12-17-4-6-18(24)7-5-17)14-31(16)15-21(33)29(2)3/h4-7,16,19-20H,8-15H2,1-3H3,(H3,25,26,27,28)/t16-,20-/m0/s1
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n/an/a 751n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mouse AMCase using 4-methylumbelliferyl beta-D-N,N' diacetylchitobioside hydrate as substrate measured after 60 mins by fluorometric me...


Citation and Details

Article DOI: 10.1016/j.bmcl.2017.12.047
BindingDB Entry DOI: 10.7270/Q2ZK5K77
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Mus musculus)
BDBM50453523
PNG
(CHEMBL4212940)
Show SMILES CC(C)C[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CN1C)C1CCN(CC1)c1n[nH]c(N)n1
Show InChI InChI=1S/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-/m0/s1
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n/an/a 936n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mouse AMCase using 4-methylumbelliferyl beta-D-N,N' diacetylchitobioside hydrate as substrate measured after 60 mins by fluorometric me...


Citation and Details

Article DOI: 10.1016/j.bmcl.2017.12.047
BindingDB Entry DOI: 10.7270/Q2ZK5K77
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Mus musculus)
BDBM50504023
PNG
(CHEMBL4524503)
Show SMILES CNC(=O)CN(CCc1ccc(Cl)cc1)C1CCN(CC1)c1nc(N)n[nH]1
Show InChI InChI=1S/C18H26ClN7O/c1-21-16(27)12-26(9-6-13-2-4-14(19)5-3-13)15-7-10-25(11-8-15)18-22-17(20)23-24-18/h2-5,15H,6-12H2,1H3,(H,21,27)(H3,20,22,23,24)
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n/an/a 1.15E+3n/an/an/an/an/an/a



OncoArendi Therapeutics SA

Curated by ChEMBL


Assay Description
Inhibition of full-length C-terminal his-tagged mouse acidic mammalian chitinase expressed in CHO-K1 cells assessed as reduction in chitinolytic acti...


J Med Chem 62: 7126-7145 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00681
More data for this
Ligand-Target Pair
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