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Compile Data Set for Download or QSAR

Found 372 hits with Last Name = 'stefaniak' and Initial = 'f'   
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
rRNA adenine N-6-methyltransferase


(Staphylococcus aureus (strain N315))		BDBM50291836
PNG
(CHEMBL4177311)
Show SMILES FC(F)(F)c1ccc(nc1)N1CCN(CC1)C(=O)c1csc(Nc2ncccn2)n1
Show InChI InChI=1S/C18H16F3N7OS/c19-18(20,21)12-2-3-14(24-10-12)27-6-8-28(9-7-27)15(29)13-11-30-17(25-13)26-16-22-4-1-5-23-16/h1-5,10-11H,6-9H2,(H,22,23,25,26)
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 1.11E+5n/an/an/an/an/an/an/an/a



International Institute of Molecular and Cell Biology

Curated by ChEMBL


Assay Description
Competitive inhibition of bacterial C-terminal His6-tagged ErmC' expressed in Escherichia coli BL21(DE3) in presence of [methyl-3H]SAM

Eur J Med Chem 146: 60-67 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.032
BindingDB Entry DOI: 10.7270/Q2P55R2F
More data for this
Ligand-Target Pair
rRNA adenine N-6-methyltransferase


(Staphylococcus aureus (strain N315))		BDBM50291837
PNG
(CHEMBL4172068)
Show SMILES FC(F)(F)c1ccc(nc1)N1CCN(CC1)C(=O)c1c[nH]c(=O)[nH]1
Show InChI InChI=1S/C14H14F3N5O2/c15-14(16,17)9-1-2-11(18-7-9)21-3-5-22(6-4-21)12(23)10-8-19-13(24)20-10/h1-2,7-8H,3-6H2,(H2,19,20,24)
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 1.48E+5n/an/an/an/an/an/an/an/a



International Institute of Molecular and Cell Biology

Curated by ChEMBL


Assay Description
Non-competitive inhibition of bacterial C-terminal His6-tagged ErmC' (unknown origin) expressed in Escherichia coli BL21(DE3) in presence of [methyl-...

Eur J Med Chem 146: 60-67 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.032
BindingDB Entry DOI: 10.7270/Q2P55R2F
More data for this
Ligand-Target Pair
rRNA adenine N-6-methyltransferase


(Staphylococcus aureus (strain N315))		BDBM50291835
PNG
(CHEMBL4098242)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1csc(Nc2cccc(O)c2)n1
Show InChI InChI=1S/C15H14N4O2S2/c1-8-13(23-15(16-8)17-9(2)20)12-7-22-14(19-12)18-10-4-3-5-11(21)6-10/h3-7,21H,1-2H3,(H,18,19)(H,16,17,20)
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 3.54E+5n/an/an/an/an/an/an/an/a



International Institute of Molecular and Cell Biology

Curated by ChEMBL


Assay Description
Competitive inhibition of bacterial C-terminal His6-tagged ErmC' expressed in Escherichia coli BL21(DE3) in presence of [methyl-3H]SAM

Eur J Med Chem 146: 60-67 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.032
BindingDB Entry DOI: 10.7270/Q2P55R2F
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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n/an/a 0.700n/an/an/an/an/an/a



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))		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))		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


(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))		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


(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


(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


(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))		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
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))		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
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


(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
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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM304039
PNG
(2-[2-(2-Methoxyphenyl)-1H-benzimidazol-5-yl]-5,8-d...)
Show SMILES COc1ccccc1-c1nc2cc(ccc2[nH]1)-c1nc2c(C)ncc(C)n2n1
Show InChI InChI=1S/C21H18N6O/c1-12-11-22-13(2)21-25-19(26-27(12)21)14-8-9-16-17(10-14)24-20(23-16)15-6-4-5-7-18(15)28-3/h4-11H,1-3H3,(H,23,24)
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CELON PHARMA S.A.

US Patent


Assay Description
Recombinant human phosphodiesterase 10A (PDE10A) purified to homogeneity from Sf9 cells overexpressing PDE10A gene (GenBank/EMBL accession number: NM...

US Patent US10138245 (2018)


BindingDB Entry DOI: 10.7270/Q2M32XTX
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM50445131
PNG
(CHEMBL4166891)
Show SMILES COc1ccccc1-c1nc2ccc(cc2[nH]1)-c1nc2c(C)ncc(C)n2n1
Show InChI InChI=1S/C21H18N6O/c1-12-11-22-13(2)21-25-19(26-27(12)21)14-8-9-16-17(10-14)24-20(23-16)15-6-4-5-7-18(15)28-3/h4-11H,1-3H3,(H,23,24)
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Celon Pharma S.A.

Curated by ChEMBL


Assay Description
Inhibition of Ca2+/calmodulin-induced recombinant human full length N-terminal GST-tagged PDE10A1 expressed in baculovirus infected Sf9 cells using c...

Eur J Med Chem 155: 96-116 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.043
BindingDB Entry DOI: 10.7270/Q2ZP48P0
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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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)		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
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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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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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


(Homo sapiens (Human))		BDBM50504024
PNG
(CHEMBL4461925)
Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N1CCOC[C@@H]1Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/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)/t16-/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


(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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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


(Homo sapiens (Human))		BDBM50504019
PNG
(CHEMBL4580568)
Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N1CCCC[C@@H]1Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/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)/t17-/m1/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))		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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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


(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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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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM50449443
PNG
(CHEMBL4175197)
Show SMILES Cc1cnc(C)c2nc(nn12)-c1ccc2nc([nH]c2c1)-c1ccccc1
Show InChI InChI=1S/C20H16N6/c1-12-11-21-13(2)20-24-19(25-26(12)20)15-8-9-16-17(10-15)23-18(22-16)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,22,23)
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Celon Pharma S.A.

Curated by ChEMBL


Assay Description
Inhibition of Ca2+/calmodulin-induced recombinant human full length N-terminal GST-tagged PDE10A1 expressed in baculovirus infected Sf9 cells using c...

Eur J Med Chem 155: 96-116 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.043
BindingDB Entry DOI: 10.7270/Q2ZP48P0
More data for this
Ligand-Target Pair
Chitotriosidase-1


(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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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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM304033
PNG
(5,8-Dimethyl-2-(2-phenyl-1H-benzimidazol-5-yl)[1,2...)
Show SMILES Cc1cnc(C)c2nc(nn12)-c1ccc2[nH]c(nc2c1)-c1ccccc1
Show InChI InChI=1S/C20H16N6/c1-12-11-21-13(2)20-24-19(25-26(12)20)15-8-9-16-17(10-15)23-18(22-16)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,22,23)
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CELON PHARMA S.A.

US Patent


Assay Description
Recombinant human phosphodiesterase 10A (PDE10A) purified to homogeneity from Sf9 cells overexpressing PDE10A gene (GenBank/EMBL accession number: NM...

US Patent US10138245 (2018)


BindingDB Entry DOI: 10.7270/Q2M32XTX
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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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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM50446890
PNG
(CHEMBL4163439)
Show SMILES Cc1cnc(C)c2nc(nn12)-c1ccc2nc([nH]c2c1)-c1cccs1
Show InChI InChI=1S/C18H14N6S/c1-10-9-19-11(2)18-22-16(23-24(10)18)12-5-6-13-14(8-12)21-17(20-13)15-4-3-7-25-15/h3-9H,1-2H3,(H,20,21)
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Celon Pharma S.A.

Curated by ChEMBL


Assay Description
Inhibition of Ca2+/calmodulin-induced recombinant human full length N-terminal GST-tagged PDE10A1 expressed in baculovirus infected Sf9 cells using c...

Eur J Med Chem 155: 96-116 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.043
BindingDB Entry DOI: 10.7270/Q2ZP48P0
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Homo sapiens (Human))		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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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))		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 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


(Mus musculus)		BDBM50504024
PNG
(CHEMBL4461925)
Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N1CCOC[C@@H]1Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/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)/t16-/m0/s1
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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
Acidic mammalian chitinase


(Homo sapiens (Human))		BDBM50541945
PNG
(CHEMBL4648998)
Show SMILES Nc1nc(n[nH]1)N1CCC(CC1)N1Cc2cccnc2OC[C@@H]1Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C22H26ClN7O/c23-17-5-3-15(4-6-17)12-19-14-31-20-16(2-1-9-25-20)13-30(19)18-7-10-29(11-8-18)22-26-21(24)27-28-22/h1-6,9,18-19H,7-8,10-14H2,(H3,24,26,27,28)/t19-/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)		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
BindingDB Entry DOI: 10.7270/Q27H1NTZ
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM50449438
PNG
(CHEMBL4173369)
Show SMILES Cc1cnc(C)c2nc(nn12)-c1ccn2cc(nc2n1)-c1ccccc1
Show InChI InChI=1S/C19H15N7/c1-12-10-20-13(2)18-23-17(24-26(12)18)15-8-9-25-11-16(22-19(25)21-15)14-6-4-3-5-7-14/h3-11H,1-2H3
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Celon Pharma S.A.

Curated by ChEMBL


Assay Description
Inhibition of Ca2+/calmodulin-induced recombinant human full length N-terminal GST-tagged PDE10A1 expressed in baculovirus infected Sf9 cells using c...

Eur J Med Chem 155: 96-116 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.043
BindingDB Entry DOI: 10.7270/Q2ZP48P0
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM304043
PNG
(5,8-Dimethyl-2-(2-phenylimidazo[1,2-a]pyrimidin-7-...)
Show SMILES Cc1cnc(C)c2nc(nn12)-c1cccc2nc([nH]c12)-c1ccccc1
Show InChI InChI=1S/C20H16N6/c1-12-11-21-13(2)20-24-19(25-26(12)20)15-9-6-10-16-17(15)23-18(22-16)14-7-4-3-5-8-14/h3-11H,1-2H3,(H,22,23)
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n/an/a 35.7n/an/an/an/an/an/a



CELON PHARMA S.A.

US Patent


Assay Description
Recombinant human phosphodiesterase 10A (PDE10A) purified to homogeneity from Sf9 cells overexpressing PDE10A gene (GenBank/EMBL accession number: NM...

US Patent US10138245 (2018)


BindingDB Entry DOI: 10.7270/Q2M32XTX
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Homo sapiens (Human))		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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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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM50422433
PNG
(CHEMBL4172869)
Show SMILES Cc1cnc(C)c2nc(nn12)-c1ccc2nc([nH]c2c1)-c1ccccc1F
Show InChI InChI=1S/C44H74N12O4/c45-55-53-37-21-23-39(41(57)35-37)43(59)51-33-19-31-49-29-17-11-9-15-27-47-25-13-7-5-3-1-2-4-6-8-14-26-48-28-16-10-12-18-30-50-32-20-34-52-44(60)40-24-22-38(54-56-46)36-42(40)58/h21-24,35-36,47-50,57-58H,1-20,25-34H2,(H,51,59)(H,52,60)
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Celon Pharma S.A.

Curated by ChEMBL


Assay Description
Inhibition of Ca2+/calmodulin-induced recombinant human full length N-terminal GST-tagged PDE10A1 expressed in baculovirus infected Sf9 cells using c...

Eur J Med Chem 155: 96-116 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.043
BindingDB Entry DOI: 10.7270/Q2ZP48P0
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM50426561
PNG
(CHEMBL2323965)
Show SMILES Cc1cnc(C)c2nc(nn12)-c1ccn2cc(nc2c1)-c1ccccc1
Show InChI InChI=1S/C20H16N6/c1-13-11-21-14(2)20-23-19(24-26(13)20)16-8-9-25-12-17(22-18(25)10-16)15-6-4-3-5-7-15/h3-12H,1-2H3
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n/an/a 37n/an/an/an/an/an/a



Celon Pharma S.A.

Curated by ChEMBL


Assay Description
Inhibition of PDE10 (unknown origin)

Eur J Med Chem 155: 96-116 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.043
BindingDB Entry DOI: 10.7270/Q2ZP48P0
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM304031
PNG
(US10138245, Example 2)
Show SMILES Cc1cnc(C)c2nc(nn12)-c1ccc2[nH]c(nc2c1)-c1ccccc1F
Show InChI InChI=1S/C20H15FN6/c1-11-10-22-12(2)20-25-18(26-27(11)20)13-7-8-16-17(9-13)24-19(23-16)14-5-3-4-6-15(14)21/h3-10H,1-2H3,(H,23,24)
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CELON PHARMA S.A.

US Patent


Assay Description
Recombinant human phosphodiesterase 10A (PDE10A) purified to homogeneity from Sf9 cells overexpressing PDE10A gene (GenBank/EMBL accession number: NM...

US Patent US10138245 (2018)


BindingDB Entry DOI: 10.7270/Q2M32XTX
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Homo sapiens (Human))		BDBM50504039
PNG
(CHEMBL4442663)
Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N1C[C@@H](O)C[C@@H]1Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/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-/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
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