BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 136 hits with Last Name = 'j?drzejczak' and Initial = 'k'   
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


(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)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 17n/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


(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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 19n/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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
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


(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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
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
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
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
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)		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)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
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


(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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
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 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)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
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
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 23n/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
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 26n/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
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)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
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
BindingDB Entry DOI: 10.7270/Q27H1NTZ
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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
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 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))		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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
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 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)		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)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
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
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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
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 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
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 30n/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)		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)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
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
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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 37n/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
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 39n/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
Acidic mammalian chitinase


(Homo sapiens (Human))		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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 40n/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))		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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 41n/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
Chitotriosidase-1


(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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 44n/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
Chitotriosidase-1


(Homo sapiens (Human))		BDBM50504028
PNG
(CHEMBL4520755)
Show SMILES CO[C@@H](C)CN(CCc1ccc(Cl)cc1)C1CCN(CC1)c1nc(N)n[nH]1 |r|
Show InChI InChI=1S/C19H29ClN6O/c1-14(27-2)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)/t14-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 44n/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
Chitotriosidase-1


(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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 47n/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
Chitotriosidase-1


(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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 48n/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


(Homo sapiens (Human))		BDBM50504014
PNG
(CHEMBL4547227)
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 50n/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
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 |r|
Show InChI InChI=1S/C19H29ClN6O/c1-14(27-2)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)/t14-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 53n/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)		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)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 55n/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)		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)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 56n/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
Chitotriosidase-1


(Homo sapiens (Human))		BDBM50504034
PNG
(CHEMBL4588384)
Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N1CCC[C@@H]1Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C18H25ClN6/c19-14-5-3-13(4-6-14)12-16-2-1-9-25(16)15-7-10-24(11-8-15)18-21-17(20)22-23-18/h3-6,15-16H,1-2,7-12H2,(H3,20,21,22,23)/t16-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 59n/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)		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
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 65n/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)		BDBM50504030
PNG
(CHEMBL4460797)
Show SMILES C[C@@H](O)CN(CCc1ccc(Cl)cc1)C1CCN(CC1)c1nc(N)n[nH]1 |r|
Show InChI InChI=1S/C18H27ClN6O/c1-13(26)12-25(9-6-14-2-4-15(19)5-3-14)16-7-10-24(11-8-16)18-21-17(20)22-23-18/h2-5,13,16,26H,6-12H2,1H3,(H3,20,21,22,23)/t13-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 66n/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)		BDBM50504014
PNG
(CHEMBL4547227)
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
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 68n/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


(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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 68n/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
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)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
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
BindingDB Entry DOI: 10.7270/Q27H1NTZ
More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Homo sapiens (Human))		BDBM50504034
PNG
(CHEMBL4588384)
Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N1CCC[C@@H]1Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C18H25ClN6/c19-14-5-3-13(4-6-14)12-16-2-1-9-25(16)15-7-10-24(11-8-15)18-21-17(20)22-23-18/h3-6,15-16H,1-2,7-12H2,(H3,20,21,22,23)/t16-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
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 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


(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
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 74n/an/an/an/an/an/a



OncoArendi Therapeutics SA

Curated by ChEMBL


Assay Description
Inhibition of full-length C-terminal his-tagged mouse CHIT1 expressed in CHO-K1 cells assessed as reduction in chitinolytic activity using 4-methylum...

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)		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
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 81n/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
Chitotriosidase-1


(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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 82n/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


(Homo sapiens (Human))		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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 83n/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))		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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 84n/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
Chitotriosidase-1


(Homo sapiens (Human))		BDBM50504014
PNG
(CHEMBL4547227)
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 87n/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
Chitotriosidase-1


(Mus musculus)		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
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 87n/an/an/an/an/an/a



OncoArendi Therapeutics SA

Curated by ChEMBL


Assay Description
Inhibition of full-length C-terminal his-tagged mouse CHIT1 expressed in CHO-K1 cells assessed as reduction in chitinolytic activity using 4-methylum...

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))		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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 98n/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
Acidic mammalian chitinase


(Homo sapiens (Human))		BDBM50504028
PNG
(CHEMBL4520755)
Show SMILES CO[C@@H](C)CN(CCc1ccc(Cl)cc1)C1CCN(CC1)c1nc(N)n[nH]1 |r|
Show InChI InChI=1S/C19H29ClN6O/c1-14(27-2)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)/t14-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 103n/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
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 |r|
Show InChI InChI=1S/C19H29ClN6O/c1-14(27-2)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)/t14-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 110n/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


(Homo sapiens (Human))		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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 111n/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
Acidic mammalian chitinase


(Mus musculus)		BDBM50504034
PNG
(CHEMBL4588384)
Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N1CCC[C@@H]1Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C18H25ClN6/c19-14-5-3-13(4-6-14)12-16-2-1-9-25(16)15-7-10-24(11-8-15)18-21-17(20)22-23-18/h3-6,15-16H,1-2,7-12H2,(H3,20,21,22,23)/t16-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 120n/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)		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)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 130n/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


(Homo sapiens (Human))		BDBM50504022
PNG
(CHEMBL4464943)
Show SMILES C[C@H](O)CN(CCc1ccc(Cl)cc1)C1CCN(CC1)c1nc(N)n[nH]1 |r|
Show InChI InChI=1S/C18H27ClN6O/c1-13(26)12-25(9-6-14-2-4-15(19)5-3-14)16-7-10-24(11-8-16)18-21-17(20)22-23-18/h2-5,13,16,26H,6-12H2,1H3,(H3,20,21,22,23)/t13-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 135n/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
Displayed 1 to 50 (of 136 total )  |  Next  |  Last  >>
Jump to: