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Compile Data Set for Download or QSAR

Found 654 hits with Last Name = 'borek' and Initial = 'b'   
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
Arginase-2, mitochondrial


(Homo sapiens (Human))
BDBM50350311
PNG
(CHEMBL1812661)
Show SMILES [NH3+][C@@H](CCCCB(O)O)C([O-])=O |r|
Show InChI InChI=1S/C6H14BNO4/c8-5(6(9)10)3-1-2-4-7(11)12/h5,11-12H,1-4,8H2,(H,9,10)/t5-/m0/s1
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8.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Arg2 at pH 7.5


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115658
BindingDB Entry DOI: 10.7270/Q2WS8XZC
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50561046
PNG
(CHEMBL4790798)
Show SMILES NC(CCCCB(O)O)(CCCNCCc1ccccc1)C(O)=O
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<10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Arg1 using L-arginine as substrate after 60 mins by spectrophotometric analysis


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115658
BindingDB Entry DOI: 10.7270/Q2WS8XZC
More data for this
Ligand-Target Pair
Arginase-2, mitochondrial


(Homo sapiens (Human))
BDBM50561046
PNG
(CHEMBL4790798)
Show SMILES NC(CCCCB(O)O)(CCCNCCc1ccccc1)C(O)=O
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<10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Arg2 using L-arginine as substrate after 60 mins by spectrophotometric analysis


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115658
BindingDB Entry DOI: 10.7270/Q2WS8XZC
More data for this
Ligand-Target Pair
Arginase-2, mitochondrial


(Homo sapiens (Human))
BDBM50561045
PNG
(CHEMBL4758805)
Show SMILES NC(CCCCB(O)O)(CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)C(O)=O
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<10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Arg2 using L-arginine as substrate after 60 mins by spectrophotometric analysis


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115658
BindingDB Entry DOI: 10.7270/Q2WS8XZC
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50561045
PNG
(CHEMBL4758805)
Show SMILES NC(CCCCB(O)O)(CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)C(O)=O
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<10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Arg1 using L-arginine as substrate after 60 mins by spectrophotometric analysis


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115658
BindingDB Entry DOI: 10.7270/Q2WS8XZC
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
Arginase-2, mitochondrial


(Homo sapiens (Human))
BDBM50561034
PNG
(CHEMBL4244287)
Show SMILES N[C@@H](CSCCB(O)O)C(O)=O |r|
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30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Arg2 at pH 7.5


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115658
BindingDB Entry DOI: 10.7270/Q2WS8XZC
More data for this
Ligand-Target Pair
Arginase-2, mitochondrial


(Homo sapiens (Human))
BDBM50008099
PNG
(CHEMBL1234777)
Show SMILES N[C@@H](CCNC(=N)NO)C(O)=O |r|
Show InChI InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-8-5(7)9-12/h3,12H,1-2,6H2,(H,10,11)(H3,7,8,9)/t3-/m0/s1
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51n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Arg2 at pH 7.5


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115658
BindingDB Entry DOI: 10.7270/Q2WS8XZC
More data for this
Ligand-Target Pair
Arginase-2, mitochondrial


(Homo sapiens (Human))
BDBM50230418
PNG
(CHEMBL260629 | N(gamma)-hydroxy-L-arginine | N-OME...)
Show SMILES NC(NO)=NCCC[C@H]([NH3+])C([O-])=O |r,w:4.4|
Show InChI InChI=1S/C6H14N4O3/c7-4(5(11)12)2-1-3-9-6(8)10-13/h4,13H,1-3,7H2,(H,11,12)(H3,8,9,10)/t4-/m0/s1
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1.60E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Arg2 at pH 7.5


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115658
BindingDB Entry DOI: 10.7270/Q2WS8XZC
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50561047
PNG
(CHEMBL4764455)
Show SMILES NCCNS(=O)(=O)N1C[C@H](CCCB(O)O)[C@@](N)(C1)C(O)=O |r|
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n/an/a 0.100n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Arg1


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115658
BindingDB Entry DOI: 10.7270/Q2WS8XZC
More data for this
Ligand-Target Pair
Arginase-2, mitochondrial


(Homo sapiens (Human))
BDBM50561047
PNG
(CHEMBL4764455)
Show SMILES NCCNS(=O)(=O)N1C[C@H](CCCB(O)O)[C@@](N)(C1)C(O)=O |r|
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n/an/a 0.100n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Arg2


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115658
BindingDB Entry DOI: 10.7270/Q2WS8XZC
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50561040
PNG
(CHEMBL4754637)
Show SMILES N[C@@H](C1CCCC1)C(=O)N[C@H]1CN[C@@H]([C@@H]1CCCB(O)O)C(O)=O |r|
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n/an/a 0.800n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Arg1 by TOGA assay


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115658
BindingDB Entry DOI: 10.7270/Q2WS8XZC
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50561042
PNG
(CHEMBL4748950)
Show SMILES CC(C)(C)[C@H](N)C(=O)N[C@H]1CN[C@@H]([C@@H]1CCCB(O)O)C(O)=O |r|
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n/an/a 0.800n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Arg1 by TOGA assay


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115658
BindingDB Entry DOI: 10.7270/Q2WS8XZC
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50561053
PNG
(CHEMBL4750602)
Show SMILES C[C@@H]1N(C[C@@H](CCB(O)O)C[C@]1(N)C(O)=O)C(=O)[C@@H](N)Cc1c[nH]cn1 |r|
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n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Arg1


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115658
BindingDB Entry DOI: 10.7270/Q2WS8XZC
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50561052
PNG
(CHEMBL4755855)
Show SMILES C[C@@H]1N(C[C@@H](CCB(O)O)C[C@]1(N)C(O)=O)C(=O)CN |r|
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n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Arg1


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115658
BindingDB Entry DOI: 10.7270/Q2WS8XZC
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50561051
PNG
(CHEMBL4749434)
Show SMILES C[C@H](N)C(=O)N1C[C@@H](CCB(O)O)C[C@@](N)([C@@H]1C)C(O)=O |r|
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n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Arg1


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115658
BindingDB Entry DOI: 10.7270/Q2WS8XZC
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50561049
PNG
(CHEMBL4793482)
Show SMILES N[C@@]1(C[C@H](CCB(O)O)CC[C@H]1CN1CCCCC1)C(O)=O |r|
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n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Arg1


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115658
BindingDB Entry DOI: 10.7270/Q2WS8XZC
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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n/an/a 1n/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)
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
Arginase-1


(Homo sapiens (Human))
BDBM50561041
PNG
(CHEMBL4791224)
Show SMILES CC(C)C[C@H](N)C(=O)N[C@H]1CN[C@@H]([C@@H]1CCCB(O)O)C(O)=O |r|
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n/an/a 1.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Arg1 by TOGA assay


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115658
BindingDB Entry DOI: 10.7270/Q2WS8XZC
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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n/an/a 1.60n/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)
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
Arginase-1


(Homo sapiens (Human))
BDBM50561039
PNG
(CHEMBL4749355 | US11420984, Example 23)
Show SMILES CN[C@H]1CN[C@](CCCCB(O)O)(C1)C(O)=O |r|
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n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Arg1 by TOGA assay


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115658
BindingDB Entry DOI: 10.7270/Q2WS8XZC
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50561035
PNG
(CHEMBL4763578)
Show SMILES N[C@H]1CN[C@@H]([C@@H]1CCCB(O)O)C(O)=O |r|
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n/an/a 3.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Arg1 by TOGA assay


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115658
BindingDB Entry DOI: 10.7270/Q2WS8XZC
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


(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
Arginase-1


(Homo sapiens (Human))
BDBM50561036
PNG
(CHEMBL4778978)
Show SMILES OB(O)CCC[C@@H]1[C@@H](O)CN[C@@H]1C(O)=O |r|
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TBA

Assay Description
Inhibition of human Arg1 by TOGA assay


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115658
BindingDB Entry DOI: 10.7270/Q2WS8XZC
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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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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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)
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)
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


(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
Arginase-1


(Homo sapiens (Human))
BDBM50561037
PNG
(CHEMBL4762611)
Show SMILES NC[C@@]1(CCCB(O)O)CN[C@@H]1C(O)=O |r|
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n/an/a 8n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Arg1 by TOGA assay


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115658
BindingDB Entry DOI: 10.7270/Q2WS8XZC
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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n/an/a 8.90n/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))
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
Arginase-1


(Homo sapiens (Human))
BDBM50561038
PNG
(CHEMBL4752307 | US11420984, Example 7)
Show SMILES N[C@H]1CN[C@](CCCCB(O)O)(C1)C(O)=O |r|
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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Arg1 by TOGA assay


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115658
BindingDB Entry DOI: 10.7270/Q2WS8XZC
More data for this
Ligand-Target Pair
Arginase-2, mitochondrial


(Homo sapiens (Human))
BDBM50561039
PNG
(CHEMBL4749355 | US11420984, Example 23)
Show SMILES CN[C@H]1CN[C@](CCCCB(O)O)(C1)C(O)=O |r|
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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Arg2 by TOGA assay


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115658
BindingDB Entry DOI: 10.7270/Q2WS8XZC
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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n/an/a 14n/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
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)
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
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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n/an/a 16n/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
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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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
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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n/an/a 18n/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
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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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
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