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Compile Data Set for Download or QSAR

Found 887 hits with Last Name = 'piotrowicz' and Initial = 'm'   
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


(Homo sapiens (Human))		BDBM50554340
PNG
(CHEMBL4788866)
Show SMILES C[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nc(N)n[nH]1 |r|
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 4.80n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full-length C-terminal his-tagged human AMCase expressed in CHO-K1 cells assessed as reduction in chitinolytic activity using 4-methylu...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01179
BindingDB Entry DOI: 10.7270/Q2B85CS7
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Mus musculus)		BDBM50554340
PNG
(CHEMBL4788866)
Show SMILES C[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nc(N)n[nH]1 |r|
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 5.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full-length C-terminal his-tagged mouse AMCase expressed in expressed in CHO-K1 cells assessed as reduction in chitinolytic activity us...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01179
BindingDB Entry DOI: 10.7270/Q2B85CS7
More data for this
Ligand-Target Pair
Chitotriosidase-1


(Homo sapiens (Human))		BDBM50554340
PNG
(CHEMBL4788866)
Show SMILES C[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nc(N)n[nH]1 |r|
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 17n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full-length C-terminal his-tagged human recombinant CHIT1 catalytic domain (1 to 386 residues) expressed in HEK293F cells assessed as r...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01179
BindingDB Entry DOI: 10.7270/Q2B85CS7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Chitotriosidase-1


(Mus musculus)		BDBM50554340
PNG
(CHEMBL4788866)
Show SMILES C[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nc(N)n[nH]1 |r|
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 26n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full-length C-terminal his-tagged mouse CHIT1 expressed in CHO-K1 cells assessed as reduction in chitinolytic activity usin...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01179
BindingDB Entry DOI: 10.7270/Q2B85CS7
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Homo sapiens (Human))		BDBM50541950
PNG
(CHEMBL4643001)
Show SMILES CN1C[C@H](Cc2ccc(Cl)cc2)N(Cc2cc(Cl)ccc12)C1CCN(CC1)c1n[nH]c(N)n1 |r|
Show InChI InChI=1S/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-/m0/s1
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OncoArendi Therapeutics S.A.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant C-terminal His-tagged human acidic mammalian chitinase expressed in CHOK1 cells assessed as reduction in chitin...

ACS Med Chem Lett 11: 1228-1235 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00092
BindingDB Entry DOI: 10.7270/Q2PV6PX3
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Mus musculus)		BDBM50554344
PNG
(CHEMBL4756869)
Show SMILES CC(C)C[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nc(N)n[nH]1 |r|
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TBA

Assay Description
Inhibition of full-length C-terminal his-tagged mouse AMCase expressed in expressed in CHO-K1 cells assessed as reduction in chitinolytic activity us...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01179
BindingDB Entry DOI: 10.7270/Q2B85CS7
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Mus musculus)		BDBM50554342
PNG
(CHEMBL4776610)
Show SMILES CC[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nc(N)n[nH]1 |r|
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n/an/a 1.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full-length C-terminal his-tagged mouse AMCase expressed in expressed in CHO-K1 cells assessed as reduction in chitinolytic activity us...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01179
BindingDB Entry DOI: 10.7270/Q2B85CS7
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Homo sapiens (Human))		BDBM50541949
PNG
(CHEMBL4635305)
Show SMILES CN1C[C@H](Cc2ccc(Cl)cc2)N(Cc2ccccc12)C1CCN(CC1)c1n[nH]c(N)n1 |r|
Show InChI InChI=1S/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-/m0/s1
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OncoArendi Therapeutics S.A.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant C-terminal His-tagged human acidic mammalian chitinase expressed in CHOK1 cells assessed as reduction in chitin...

ACS Med Chem Lett 11: 1228-1235 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00092
BindingDB Entry DOI: 10.7270/Q2PV6PX3
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Homo sapiens (Human))		BDBM50554344
PNG
(CHEMBL4756869)
Show SMILES CC(C)C[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nc(N)n[nH]1 |r|
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TBA

Assay Description
Inhibition of full-length C-terminal his-tagged human AMCase expressed in CHO-K1 cells assessed as reduction in chitinolytic activity using 4-methylu...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01179
BindingDB Entry DOI: 10.7270/Q2B85CS7
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Homo sapiens (Human))		BDBM50541930
PNG
(CHEMBL4637417)
Show SMILES Nc1nc(n[nH]1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)Cc1ccccc1O
Show InChI InChI=1S/C22H27ClN6O/c23-18-7-5-16(6-8-18)9-12-29(15-17-3-1-2-4-20(17)30)19-10-13-28(14-11-19)22-25-21(24)26-27-22/h1-8,19,30H,9-15H2,(H3,24,25,26,27)
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OncoArendi Therapeutics S.A.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant C-terminal His-tagged human acidic mammalian chitinase expressed in CHOK1 cells assessed as reduction in chitin...

ACS Med Chem Lett 11: 1228-1235 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00092
BindingDB Entry DOI: 10.7270/Q2PV6PX3
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Homo sapiens (Human))		BDBM50541931
PNG
(CHEMBL4634943)
Show SMILES Nc1nc(n[nH]1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)Cc1cccc(O)c1
Show InChI InChI=1S/C22H27ClN6O/c23-18-6-4-16(5-7-18)8-11-29(15-17-2-1-3-20(30)14-17)19-9-12-28(13-10-19)22-25-21(24)26-27-22/h1-7,14,19,30H,8-13,15H2,(H3,24,25,26,27)
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OncoArendi Therapeutics S.A.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant C-terminal His-tagged human acidic mammalian chitinase expressed in CHOK1 cells assessed as reduction in chitin...

ACS Med Chem Lett 11: 1228-1235 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00092
BindingDB Entry DOI: 10.7270/Q2PV6PX3
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Mus musculus)		BDBM50554343
PNG
(CHEMBL4794014)
Show SMILES CC(C)[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nc(N)n[nH]1 |r|
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n/an/a 2.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full-length C-terminal his-tagged mouse AMCase expressed in expressed in CHO-K1 cells assessed as reduction in chitinolytic activity us...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01179
BindingDB Entry DOI: 10.7270/Q2B85CS7
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(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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OncoArendi Therapeutics S.A.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant C-terminal His-tagged human acidic mammalian chitinase expressed in CHOK1 cells assessed as reduction in chitin...

ACS Med Chem Lett 11: 1228-1235 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00092
BindingDB Entry DOI: 10.7270/Q2PV6PX3
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Homo sapiens (Human))		BDBM50554343
PNG
(CHEMBL4794014)
Show SMILES CC(C)[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nc(N)n[nH]1 |r|
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n/an/a 3.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full-length C-terminal his-tagged human AMCase expressed in CHO-K1 cells assessed as reduction in chitinolytic activity using 4-methylu...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01179
BindingDB Entry DOI: 10.7270/Q2B85CS7
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Homo sapiens (Human))		BDBM50541933
PNG
(CHEMBL4646309)
Show SMILES Nc1nc(n[nH]1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C22H26Cl2N6/c23-18-5-1-16(2-6-18)9-12-30(15-17-3-7-19(24)8-4-17)20-10-13-29(14-11-20)22-26-21(25)27-28-22/h1-8,20H,9-15H2,(H3,25,26,27,28)
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OncoArendi Therapeutics S.A.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant C-terminal His-tagged human acidic mammalian chitinase expressed in CHOK1 cells assessed as reduction in chitin...

ACS Med Chem Lett 11: 1228-1235 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00092
BindingDB Entry DOI: 10.7270/Q2PV6PX3
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(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 S.A.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant C-terminal His-tagged human acidic mammalian chitinase expressed in CHOK1 cells assessed as reduction in chitin...

ACS Med Chem Lett 11: 1228-1235 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00092
BindingDB Entry DOI: 10.7270/Q2PV6PX3
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Homo sapiens (Human))		BDBM50541934
PNG
(CHEMBL4632547)
Show SMILES Nc1nc(n[nH]1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)Cc1ccc(F)cc1Cl
Show InChI InChI=1S/C22H25Cl2FN6/c23-17-4-1-15(2-5-17)7-10-31(14-16-3-6-18(25)13-20(16)24)19-8-11-30(12-9-19)22-27-21(26)28-29-22/h1-6,13,19H,7-12,14H2,(H3,26,27,28,29)
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OncoArendi Therapeutics S.A.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant C-terminal His-tagged human acidic mammalian chitinase expressed in CHOK1 cells assessed as reduction in chitin...

ACS Med Chem Lett 11: 1228-1235 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00092
BindingDB Entry DOI: 10.7270/Q2PV6PX3
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Homo sapiens (Human))		BDBM50541936
PNG
(CHEMBL4646247)
Show SMILES Nc1nc(n[nH]1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)Cc1cc(F)ccc1F
Show InChI InChI=1S/C22H25ClF2N6/c23-17-3-1-15(2-4-17)7-10-31(14-16-13-18(24)5-6-20(16)25)19-8-11-30(12-9-19)22-27-21(26)28-29-22/h1-6,13,19H,7-12,14H2,(H3,26,27,28,29)
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OncoArendi Therapeutics S.A.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant C-terminal His-tagged human acidic mammalian chitinase expressed in CHOK1 cells assessed as reduction in chitin...

ACS Med Chem Lett 11: 1228-1235 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00092
BindingDB Entry DOI: 10.7270/Q2PV6PX3
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Mus musculus)		BDBM50554346
PNG
(CHEMBL4764430)
Show SMILES CC(C)(O)[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nc(N)n[nH]1 |r|
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n/an/a 5.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full-length C-terminal his-tagged mouse AMCase expressed in expressed in CHO-K1 cells assessed as reduction in chitinolytic activity us...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01179
BindingDB Entry DOI: 10.7270/Q2B85CS7
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Homo sapiens (Human))		BDBM50541932
PNG
(CHEMBL4649081)
Show SMILES Nc1nc(n[nH]1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)Cc1cccc(Cl)c1
Show InChI InChI=1S/C22H26Cl2N6/c23-18-6-4-16(5-7-18)8-11-30(15-17-2-1-3-19(24)14-17)20-9-12-29(13-10-20)22-26-21(25)27-28-22/h1-7,14,20H,8-13,15H2,(H3,25,26,27,28)
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OncoArendi Therapeutics S.A.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant C-terminal His-tagged human acidic mammalian chitinase expressed in CHOK1 cells assessed as reduction in chitin...

ACS Med Chem Lett 11: 1228-1235 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00092
BindingDB Entry DOI: 10.7270/Q2PV6PX3
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Mus musculus)		BDBM50554345
PNG
(CHEMBL4789376)
Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N1C[C@H](CO)OC[C@@H]1Cc1ccc(Cl)cc1 |r|
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TBA

Assay Description
Inhibition of full-length C-terminal his-tagged mouse AMCase expressed in expressed in CHO-K1 cells assessed as reduction in chitinolytic activity us...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01179
BindingDB Entry DOI: 10.7270/Q2B85CS7
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Homo sapiens (Human))		BDBM50554345
PNG
(CHEMBL4789376)
Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N1C[C@H](CO)OC[C@@H]1Cc1ccc(Cl)cc1 |r|
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n/an/a 6.80n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full-length C-terminal his-tagged human AMCase expressed in CHO-K1 cells assessed as reduction in chitinolytic activity using 4-methylu...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01179
BindingDB Entry DOI: 10.7270/Q2B85CS7
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Homo sapiens (Human))		BDBM50541938
PNG
(CHEMBL4640857)
Show SMILES Nc1nc(n[nH]1)N1CCC(CC1)N1Cc2ccccc2OC[C@@H]1Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/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-/m0/s1
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TBA

Assay Description
Inhibition of full-length C-terminal his-tagged human AMCase expressed in CHO-K1 cells assessed as reduction in chitinolytic activity using 4-methylu...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01179
BindingDB Entry DOI: 10.7270/Q2B85CS7
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Homo sapiens (Human))		BDBM50554346
PNG
(CHEMBL4764430)
Show SMILES CC(C)(O)[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nc(N)n[nH]1 |r|
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TBA

Assay Description
Inhibition of full-length C-terminal his-tagged human AMCase expressed in CHO-K1 cells assessed as reduction in chitinolytic activity using 4-methylu...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01179
BindingDB Entry DOI: 10.7270/Q2B85CS7
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Homo sapiens (Human))		BDBM50541938
PNG
(CHEMBL4640857)
Show SMILES Nc1nc(n[nH]1)N1CCC(CC1)N1Cc2ccccc2OC[C@@H]1Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/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-/m0/s1
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OncoArendi Therapeutics S.A.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant C-terminal His-tagged human acidic mammalian chitinase expressed in CHOK1 cells assessed as reduction in chitin...

ACS Med Chem Lett 11: 1228-1235 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00092
BindingDB Entry DOI: 10.7270/Q2PV6PX3
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Homo sapiens (Human))		BDBM50541939
PNG
(CHEMBL4648962)
Show SMILES Nc1nc(n[nH]1)N1CCC(CC1)N1Cc2cc(F)ccc2OC[C@@H]1Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/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-/m0/s1
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OncoArendi Therapeutics S.A.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant C-terminal His-tagged human acidic mammalian chitinase expressed in CHOK1 cells assessed as reduction in chitin...

ACS Med Chem Lett 11: 1228-1235 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00092
BindingDB Entry DOI: 10.7270/Q2PV6PX3
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Mus musculus)		BDBM50554347
PNG
(CHEMBL4755139)
Show SMILES COC[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nc(N)n[nH]1 |r|
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n/an/a 7.70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full-length C-terminal his-tagged mouse AMCase expressed in expressed in CHO-K1 cells assessed as reduction in chitinolytic activity us...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01179
BindingDB Entry DOI: 10.7270/Q2B85CS7
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Mus musculus)		BDBM50554348
PNG
(CHEMBL4749391)
Show SMILES CNC(=O)[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nc(N)n[nH]1 |r|
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TBA

Assay Description
Inhibition of full-length C-terminal his-tagged mouse AMCase expressed in expressed in CHO-K1 cells assessed as reduction in chitinolytic activity us...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01179
BindingDB Entry DOI: 10.7270/Q2B85CS7
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Mus musculus)		BDBM50554340
PNG
(CHEMBL4788866)
Show SMILES C[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nc(N)n[nH]1 |r|
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n/an/a 7.80n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full-length C-terminal his-tagged mouse AMCase expressed in expressed in CHO-K1 cells assessed as reduction in chitinolytic activity us...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01179
BindingDB Entry DOI: 10.7270/Q2B85CS7
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Homo sapiens (Human))		BDBM50541940
PNG
(CHEMBL4638897)
Show SMILES Nc1nc(n[nH]1)N1CCC(CC1)N1Cc2cc(Cl)ccc2OC[C@@H]1Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/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-/m0/s1
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OncoArendi Therapeutics S.A.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant C-terminal His-tagged human acidic mammalian chitinase expressed in CHOK1 cells assessed as reduction in chitin...

ACS Med Chem Lett 11: 1228-1235 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00092
BindingDB Entry DOI: 10.7270/Q2PV6PX3
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Homo sapiens (Human))		BDBM50554347
PNG
(CHEMBL4755139)
Show SMILES COC[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nc(N)n[nH]1 |r|
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TBA

Assay Description
Inhibition of full-length C-terminal his-tagged human AMCase expressed in CHO-K1 cells assessed as reduction in chitinolytic activity using 4-methylu...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01179
BindingDB Entry DOI: 10.7270/Q2B85CS7
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Homo sapiens (Human))		BDBM50554340
PNG
(CHEMBL4788866)
Show SMILES C[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nc(N)n[nH]1 |r|
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n/an/a 9n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full-length C-terminal his-tagged human AMCase expressed in CHO-K1 cells assessed as reduction in chitinolytic activity using 4-methylu...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01179
BindingDB Entry DOI: 10.7270/Q2B85CS7
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Homo sapiens (Human))		BDBM50541935
PNG
(CHEMBL4642053)
Show SMILES Nc1nc(n[nH]1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)Cc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H26ClF3N6/c24-19-6-4-16(5-7-19)8-11-33(15-17-2-1-3-18(14-17)23(25,26)27)20-9-12-32(13-10-20)22-29-21(28)30-31-22/h1-7,14,20H,8-13,15H2,(H3,28,29,30,31)
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OncoArendi Therapeutics S.A.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant C-terminal His-tagged human acidic mammalian chitinase expressed in CHOK1 cells assessed as reduction in chitin...

ACS Med Chem Lett 11: 1228-1235 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00092
BindingDB Entry DOI: 10.7270/Q2PV6PX3
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Homo sapiens (Human))		BDBM50541948
PNG
(CHEMBL4644319)
Show SMILES Nc1nc(n[nH]1)N1CCC(CC1)N1CC(=C)COC[C@@H]1Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/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-/m0/s1
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OncoArendi Therapeutics S.A.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant C-terminal His-tagged human acidic mammalian chitinase expressed in CHOK1 cells assessed as reduction in chitin...

ACS Med Chem Lett 11: 1228-1235 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00092
BindingDB Entry DOI: 10.7270/Q2PV6PX3
More data for this
Ligand-Target Pair
Chitotriosidase-1


(Homo sapiens (Human))		BDBM50554342
PNG
(CHEMBL4776610)
Show SMILES CC[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nc(N)n[nH]1 |r|
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TBA

Assay Description
Inhibition of full-length C-terminal his-tagged human recombinant CHIT1 catalytic domain (1 to 386 residues) expressed in HEK293F cells assessed as r...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01179
BindingDB Entry DOI: 10.7270/Q2B85CS7
More data for this
Ligand-Target Pair
Chitotriosidase-1


(Mus musculus)		BDBM50554342
PNG
(CHEMBL4776610)
Show SMILES CC[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nc(N)n[nH]1 |r|
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n/an/a 14n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full-length C-terminal his-tagged mouse CHIT1 expressed in CHO-K1 cells assessed as reduction in chitinolytic activity usin...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01179
BindingDB Entry DOI: 10.7270/Q2B85CS7
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(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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TBA

Assay Description
Inhibition of full-length C-terminal his-tagged human AMCase expressed in CHO-K1 cells assessed as reduction in chitinolytic activity using 4-methylu...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01179
BindingDB Entry DOI: 10.7270/Q2B85CS7
More data for this
Ligand-Target Pair
Chitotriosidase-1


(Mus musculus)		BDBM50554344
PNG
(CHEMBL4756869)
Show SMILES CC(C)C[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nc(N)n[nH]1 |r|
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n/an/a 15n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full-length C-terminal his-tagged mouse CHIT1 expressed in CHO-K1 cells assessed as reduction in chitinolytic activity usin...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01179
BindingDB Entry DOI: 10.7270/Q2B85CS7
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(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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OncoArendi Therapeutics S.A.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant C-terminal His-tagged human acidic mammalian chitinase expressed in CHOK1 cells assessed as reduction in chitin...

ACS Med Chem Lett 11: 1228-1235 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00092
BindingDB Entry DOI: 10.7270/Q2PV6PX3
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Homo sapiens (Human))		BDBM50541937
PNG
(CHEMBL4637250)
Show SMILES Nc1nc(n[nH]1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)Cc1ccncc1Cl
Show InChI InChI=1S/C21H25Cl2N7/c22-17-3-1-15(2-4-17)6-10-30(14-16-5-9-25-13-19(16)23)18-7-11-29(12-8-18)21-26-20(24)27-28-21/h1-5,9,13,18H,6-8,10-12,14H2,(H3,24,26,27,28)
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OncoArendi Therapeutics S.A.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant C-terminal His-tagged human acidic mammalian chitinase expressed in CHOK1 cells assessed as reduction in chitin...

ACS Med Chem Lett 11: 1228-1235 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00092
BindingDB Entry DOI: 10.7270/Q2PV6PX3
More data for this
Ligand-Target Pair
Chitotriosidase-1


(Homo sapiens (Human))		BDBM50554344
PNG
(CHEMBL4756869)
Show SMILES CC(C)C[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nc(N)n[nH]1 |r|
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TBA

Assay Description
Inhibition of full-length C-terminal his-tagged human recombinant CHIT1 catalytic domain (1 to 386 residues) expressed in HEK293F cells assessed as r...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01179
BindingDB Entry DOI: 10.7270/Q2B85CS7
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
Show InChI InChI=1S/C20H29ClN6O/c21-16-5-3-15(4-6-16)7-10-27(14-18-2-1-13-28-18)17-8-11-26(12-9-17)20-23-19(22)24-25-20/h3-6,17-18H,1-2,7-14H2,(H3,22,23,24,25)
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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
BindingDB Entry DOI: 10.7270/Q27H1NTZ
More data for this
Ligand-Target Pair
Chitotriosidase-1


(Homo sapiens (Human))		BDBM50554343
PNG
(CHEMBL4794014)
Show SMILES CC(C)[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nc(N)n[nH]1 |r|
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TBA

Assay Description
Inhibition of full-length C-terminal his-tagged human recombinant CHIT1 catalytic domain (1 to 386 residues) expressed in HEK293F cells assessed as r...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01179
BindingDB Entry DOI: 10.7270/Q2B85CS7
More data for this
Ligand-Target Pair
Chitotriosidase-1


(Mus musculus)		BDBM50554343
PNG
(CHEMBL4794014)
Show SMILES CC(C)[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nc(N)n[nH]1 |r|
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n/an/a 19n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full-length C-terminal his-tagged mouse CHIT1 expressed in CHO-K1 cells assessed as reduction in chitinolytic activity usin...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01179
BindingDB Entry DOI: 10.7270/Q2B85CS7
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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TBA

Assay Description
Inhibition of full-length C-terminal his-tagged mouse AMCase expressed in expressed in CHO-K1 cells assessed as reduction in chitinolytic activity us...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01179
BindingDB Entry DOI: 10.7270/Q2B85CS7
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Homo sapiens (Human))		BDBM50504016
PNG
(CHEMBL4537828)
Show SMILES CO[C@H]1C[C@H](Cc2ccc(Cl)cc2)N(C1)C1CCN(CC1)c1nc(N)n[nH]1 |r|
Show InChI InChI=1S/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-/m0/s1
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OncoArendi Therapeutics SA

Curated by ChEMBL


Assay Description
Inhibition of full-length C-terminal his-tagged human acidic mammalian chitinase expressed in CHOK1 cells assessed as reduction in chitinolytic activ...

J Med Chem 62: 7126-7145 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00681
BindingDB Entry DOI: 10.7270/Q27H1NTZ
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Homo sapiens (Human))		BDBM50504017
PNG
(CHEMBL4541831)
Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)CC1CCCO1
Show InChI InChI=1S/C20H29ClN6O/c21-16-5-3-15(4-6-16)7-10-27(14-18-2-1-13-28-18)17-8-11-26(12-9-17)20-23-19(22)24-25-20/h3-6,17-18H,1-2,7-14H2,(H3,22,23,24,25)
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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 human acidic mammalian chitinase expressed in CHOK1 cells assessed as reduction in chitinolytic activ...

J Med Chem 62: 7126-7145 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00681
BindingDB Entry DOI: 10.7270/Q27H1NTZ
More data for this
Ligand-Target Pair
Chitotriosidase-1


(Homo sapiens (Human))		BDBM50504025
PNG
(CHEMBL4464754)
Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)CC1CCCCO1
Show InChI InChI=1S/C21H31ClN6O/c22-17-6-4-16(5-7-17)8-11-28(15-19-3-1-2-14-29-19)18-9-12-27(13-10-18)21-24-20(23)25-26-21/h4-7,18-19H,1-3,8-15H2,(H3,23,24,25,26)
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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 human CHIT1 expressed in CHOK1 cells assessed as reduction in chitinolytic activity using 4-methylumb...

J Med Chem 62: 7126-7145 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00681
BindingDB Entry DOI: 10.7270/Q27H1NTZ
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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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
BindingDB Entry DOI: 10.7270/Q27H1NTZ
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 |r|
Show InChI InChI=1S/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+/m0/s1
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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
BindingDB Entry DOI: 10.7270/Q27H1NTZ
More data for this
Ligand-Target Pair
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