BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 176 hits Enz. Inhib. hit(s) with Target = 'Acidic mammalian chitinase (AMCase)'   
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 (AMCase)


(Homo sapiens (Human))
BDBM50378795
PNG
(CHEMBL1215473)
Show SMILES Nc1nnc([nH]1)N1CCN(CCOc2ccc(Br)cc2)CC1
Show InChI InChI=1S/C14H19BrN6O/c15-11-1-3-12(4-2-11)22-10-9-20-5-7-21(8-6-20)14-17-13(16)18-19-14/h1-4H,5-10H2,(H3,16,17,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/a 1.69E+3n/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated-acidic mammalian chitinase


J Med Chem 53: 6122-8 (2010)


Article DOI: 10.1021/jm100533p
BindingDB Entry DOI: 10.7270/Q22N538H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM50378796
PNG
(CHEMBL1215544)
Show SMILES NC(=N)N1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C11H15ClN4/c12-9-1-3-10(4-2-9)15-5-7-16(8-6-15)11(13)14/h1-4H,5-8H2,(H3,13,14)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/a 1.70E+4n/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated-acidic mammalian chitinase


J Med Chem 53: 6122-8 (2010)


Article DOI: 10.1021/jm100533p
BindingDB Entry DOI: 10.7270/Q22N538H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM50027028
PNG
(2-(piperazin-1-yl)nicotinamide | 2-Piperazin-1-yl-...)
Show SMILES NC(=O)c1cccnc1N1CCNCC1
Show InChI InChI=1S/C10H14N4O/c11-9(15)8-2-1-3-13-10(8)14-6-4-12-5-7-14/h1-3,12H,4-7H2,(H2,11,15)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 1.41E+5n/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated-acidic mammalian chitinase


J Med Chem 53: 6122-8 (2010)


Article DOI: 10.1021/jm100533p
BindingDB Entry DOI: 10.7270/Q22N538H
More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
14n/an/an/an/an/an/an/an/a



OncoArendi Therapeutics SA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length C-terminal His-tagged acidic mammalian chitinase expressed in CHO-K1 cells using 4-methylumbelliferyl-bet...


J Med Chem 61: 695-710 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01051
More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM81509
PNG
(Bisdionin F)
Show SMILES Cn1cnc2n(C)c(=O)n(CCCn3c(=O)n(C)c4nc[nH]c4c3=O)c(=O)c12
Show InChI InChI=1S/C16H18N8O4/c1-20-8-19-12-10(20)14(26)24(16(28)22(12)3)6-4-5-23-13(25)9-11(18-7-17-9)21(2)15(23)27/h7-8H,4-6H2,1-3H3,(H,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
MMDB
PC cid
PC sid
UniChem

Similars

MMDB
Article
PubMed
420 -37.9 920n/an/an/an/a5.237



University of Edinburgh



Assay Description
Chitnase inhibition by bisdionin compounds.


Chem Biol 18: 569-79 (2011)


Article DOI: 10.1016/j.chembiol.2011.02.017
BindingDB Entry DOI: 10.7270/Q28W3BSN
More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM81508
PNG
(Bisdionin C)
Show SMILES Cn1cnc2n(C)c(=O)n(CCCn3c(=O)n(C)c4ncn(C)c4c3=O)c(=O)c12
Show InChI InChI=1S/C17H20N8O4/c1-20-8-18-12-10(20)14(26)24(16(28)22(12)3)6-5-7-25-15(27)11-13(19-9-21(11)2)23(4)17(25)29/h8-9H,5-7H2,1-4H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

MMDB
PDB
Article
PubMed
n/an/a 2.00E+4n/an/an/an/a5.237



University of Edinburgh



Assay Description
Chitnase inhibition by bisdionin compounds.


Chem Biol 18: 569-79 (2011)


Article DOI: 10.1016/j.chembiol.2011.02.017
BindingDB Entry DOI: 10.7270/Q28W3BSN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human chitinase


Bioorg Med Chem 18: 8334-40 (2010)


Article DOI: 10.1016/j.bmc.2010.09.062
BindingDB Entry DOI: 10.7270/Q2NZ87WR
More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM50331851
PNG
(Allosamidin | CHEMBL1230997)
Show SMILES CN(C)C1=N[C@@H]2[C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H]3NC(C)=O)[C@@H](CO)[C@@H]2O1
Show InChI InChI=1/C25H42N4O14/c1-8(33)26-14-17(36)16(35)11(6-31)39-23(14)42-22-12(7-32)40-24(15(19(22)38)27-9(2)34)41-21-10(5-30)20-13(18(21)37)28-25(43-20)29(3)4/h10-24,30-32,35-38H,5-7H2,1-4H3,(H,26,33)(H,27,34)/t10-,11+,12+,13+,14+,15+,16+,17-,18+,19-,20-,21+,22+,23-,24-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 40n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human chitinase


Bioorg Med Chem 18: 8334-40 (2010)


Article DOI: 10.1016/j.bmc.2010.09.062
BindingDB Entry DOI: 10.7270/Q2NZ87WR
More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM50331852
PNG
(8-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DI...)
Show SMILES Cn1c2nc(Cl)[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C7H7ClN4O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H,9,10)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEBI
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a>2.50E+6n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human chitinase


Bioorg Med Chem 18: 8334-40 (2010)


Article DOI: 10.1016/j.bmc.2010.09.062
BindingDB Entry DOI: 10.7270/Q2NZ87WR
More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM39302
PNG
(CHEMBL228792 | MLS000101228 | N-(2-furanylmethyl)-...)
Show SMILES C(Nc1ncnc2nc[nH]c12)c1ccco1
Show InChI InChI=1S/C10H9N5O/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h1-3,5-6H,4H2,(H2,11,12,13,14,15)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEBI
CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human chitinase


Bioorg Med Chem 18: 8334-40 (2010)


Article DOI: 10.1016/j.bmc.2010.09.062
BindingDB Entry DOI: 10.7270/Q2NZ87WR
More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM50173286
PNG
(5-[3-[amino-(methylcarbamoylamino)methylidene]amin...)
Show SMILES CNC(=O)NC(N)=NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O
Show InChI InChI=1/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.50E+3n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of human acidic mammalian chitinase


Bioorg Med Chem 17: 6270-8 (2009)


Article DOI: 10.1016/j.bmc.2009.07.045
BindingDB Entry DOI: 10.7270/Q2TB17TJ
More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM50378795
PNG
(CHEMBL1215473)
Show SMILES Nc1nnc([nH]1)N1CCN(CCOc2ccc(Br)cc2)CC1
Show InChI InChI=1S/C14H19BrN6O/c15-11-1-3-12(4-2-11)22-10-9-20-5-7-21(8-6-20)14-17-13(16)18-19-14/h1-4H,5-10H2,(H3,16,17,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 210n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of acidic mammalian chitinase after 60 mins


J Med Chem 53: 6122-8 (2010)


Article DOI: 10.1021/jm100533p
BindingDB Entry DOI: 10.7270/Q22N538H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM72759
PNG
(2-methyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-...)
Show SMILES Cc1[nH]c2ccccc2c1CN1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C19H22N4/c1-15-17(16-6-2-3-7-18(16)21-15)14-22-10-12-23(13-11-22)19-8-4-5-9-20-19/h2-9,21H,10-14H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 700n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of acidic mammalian chitinase after 60 mins


J Med Chem 53: 6122-8 (2010)


Article DOI: 10.1021/jm100533p
BindingDB Entry DOI: 10.7270/Q22N538H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM50378796
PNG
(CHEMBL1215544)
Show SMILES NC(=N)N1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C11H15ClN4/c12-9-1-3-10(4-2-9)15-5-7-16(8-6-15)11(13)14/h1-4H,5-8H2,(H3,13,14)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 1.30E+4n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of acidic mammalian chitinase after 60 mins


J Med Chem 53: 6122-8 (2010)


Article DOI: 10.1021/jm100533p
BindingDB Entry DOI: 10.7270/Q22N538H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM50027028
PNG
(2-(piperazin-1-yl)nicotinamide | 2-Piperazin-1-yl-...)
Show SMILES NC(=O)c1cccnc1N1CCNCC1
Show InChI InChI=1S/C10H14N4O/c11-9(15)8-2-1-3-13-10(8)14-6-4-12-5-7-14/h1-3,12H,4-7H2,(H2,11,15)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.02E+5n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of acidic mammalian chitinase after 60 mins


J Med Chem 53: 6122-8 (2010)


Article DOI: 10.1021/jm100533p
BindingDB Entry DOI: 10.7270/Q22N538H
More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM50378797
PNG
(CHEMBL1215545)
Show SMILES CCNC(=O)c1cccnc1N1CCN(C)CC1
Show InChI InChI=1S/C13H20N4O/c1-3-14-13(18)11-5-4-6-15-12(11)17-9-7-16(2)8-10-17/h4-6H,3,7-10H2,1-2H3,(H,14,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 2.20E+4n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of acidic mammalian chitinase after 60 mins


J Med Chem 53: 6122-8 (2010)


Article DOI: 10.1021/jm100533p
BindingDB Entry DOI: 10.7270/Q22N538H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM50438372
PNG
(CHEMBL2413405)
Show SMILES COc1cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C3CC3)cc2)nc(OC)n1
Show InChI InChI=1S/C17H19N5O5S2/c1-26-14-9-13(19-16(20-14)27-2)22-29(24,25)12-7-5-11(6-8-12)18-17(28)21-15(23)10-3-4-10/h5-10H,3-4H2,1-2H3,(H,19,20,22)(H2,18,21,23,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human acidic mammalian chitinase expressed in Escherichia coli Rosetta-gami 2 (DE3) using 4MU-(GlcNAc)2 as subst...


Bioorg Med Chem 21: 3214-20 (2013)


Article DOI: 10.1016/j.bmc.2013.03.047
BindingDB Entry DOI: 10.7270/Q2SX6FMS
More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM50438373
PNG
(CHEMBL2413404)
Show SMILES CCOc1cc([CH+][N-][N-]C(=[SH+])NCC=C)cc(c1O)[N+]([O-])=O
Show InChI InChI=1S/C13H15N4O4S/c1-3-5-14-13(22)16-15-8-9-6-10(17(19)20)12(18)11(7-9)21-4-2/h3,6-8H,1,4-5H2,2H3,(H2-,14,16,18,22)/q-1/p+1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human acidic mammalian chitinase expressed in Escherichia coli Rosetta-gami 2 (DE3) using 4MU-(GlcNAc)2 as subst...


Bioorg Med Chem 21: 3214-20 (2013)


Article DOI: 10.1016/j.bmc.2013.03.047
BindingDB Entry DOI: 10.7270/Q2SX6FMS
More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM50438374
PNG
(CHEMBL2413403)
Show SMILES Cc1cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C=C)cc2)no1
Show InChI InChI=1S/C14H14N4O4S2/c1-3-13(19)16-14(23)15-10-4-6-11(7-5-10)24(20,21)18-12-8-9(2)22-17-12/h3-8H,1H2,2H3,(H,17,18)(H2,15,16,19,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.00E+4n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human acidic mammalian chitinase expressed in Escherichia coli Rosetta-gami 2 (DE3) using 4MU-(GlcNAc)2 as subst...


Bioorg Med Chem 21: 3214-20 (2013)


Article DOI: 10.1016/j.bmc.2013.03.047
BindingDB Entry DOI: 10.7270/Q2SX6FMS
More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM50438375
PNG
(CHEMBL2413402)
Show SMILES CCC(=O)NC(=S)Nc1ccc2oc(nc2c1)-c1ccccc1
Show InChI InChI=1S/C17H15N3O2S/c1-2-15(21)20-17(23)18-12-8-9-14-13(10-12)19-16(22-14)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H2,18,20,21,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.00E+4n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human acidic mammalian chitinase expressed in Escherichia coli Rosetta-gami 2 (DE3) using 4MU-(GlcNAc)2 as subst...


Bioorg Med Chem 21: 3214-20 (2013)


Article DOI: 10.1016/j.bmc.2013.03.047
BindingDB Entry DOI: 10.7270/Q2SX6FMS
More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM50438376
PNG
(CHEMBL1541768)
Show SMILES CNC(=S)NNC(=O)c1oc2nc(cc(C)c2c1N)-c1ccccc1
Show InChI InChI=1S/C17H17N5O2S/c1-9-8-11(10-6-4-3-5-7-10)20-16-12(9)13(18)14(24-16)15(23)21-22-17(25)19-2/h3-8H,18H2,1-2H3,(H,21,23)(H2,19,22,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.00E+4n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human acidic mammalian chitinase expressed in Escherichia coli Rosetta-gami 2 (DE3) using 4MU-(GlcNAc)2 as subst...


Bioorg Med Chem 21: 3214-20 (2013)


Article DOI: 10.1016/j.bmc.2013.03.047
BindingDB Entry DOI: 10.7270/Q2SX6FMS
More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM50438377
PNG
(CHEMBL2413401)
Show SMILES NC(NN=Cc1ccco1)=NN=Cc1ccco1
Show InChI InChI=1S/C11H11N5O2/c12-11(15-13-7-9-3-1-5-17-9)16-14-8-10-4-2-6-18-10/h1-8H,(H3,12,15,16)/b13-7+,14-8+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human acidic mammalian chitinase expressed in Escherichia coli Rosetta-gami 2 (DE3) using 4MU-(GlcNAc)2 as subst...


Bioorg Med Chem 21: 3214-20 (2013)


Article DOI: 10.1016/j.bmc.2013.03.047
BindingDB Entry DOI: 10.7270/Q2SX6FMS
More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM50438378
PNG
(CHEMBL2413400)
Show SMILES CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NNC(N)=S)cc1
Show InChI InChI=1S/C19H21N5O2S/c1-24(2)15-10-8-13(9-11-15)12-16(18(26)22-23-19(20)27)21-17(25)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,21,25)(H,22,26)(H3,20,23,27)/b16-12-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human acidic mammalian chitinase expressed in Escherichia coli Rosetta-gami 2 (DE3) using 4MU-(GlcNAc)2 as subst...


Bioorg Med Chem 21: 3214-20 (2013)


Article DOI: 10.1016/j.bmc.2013.03.047
BindingDB Entry DOI: 10.7270/Q2SX6FMS
More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM349911
PNG
((S)-5-(4-(3-(4- chlorobenzyl)morpholino) piperidin...)
Show SMILES Nc1nnc([nH]1)N1CCC(CC1)N1CCOCC1Cc1ccc(Cl)cc1
Show InChI InChI=1/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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



OncoArendi Therapeutics SA

US Patent


Assay Description
An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...


US Patent US9944624 (2018)

More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM349911
PNG
((S)-5-(4-(3-(4- chlorobenzyl)morpholino) piperidin...)
Show SMILES Nc1nnc([nH]1)N1CCC(CC1)N1CCOCC1Cc1ccc(Cl)cc1
Show InChI InChI=1/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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a<100n/an/an/an/an/an/a



OncoArendi Therapeutics SA

US Patent


Assay Description
An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...


US Patent US10208020 (2019)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q2RR21C4
More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM349911
PNG
((S)-5-(4-(3-(4- chlorobenzyl)morpholino) piperidin...)
Show SMILES Nc1nnc([nH]1)N1CCC(CC1)N1CCOCC1Cc1ccc(Cl)cc1
Show InChI InChI=1/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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a<100n/an/an/an/an/an/a



OncoArendi Therapeutics SA

US Patent


Assay Description
An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...


US Patent US10208020 (2019)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q2RR21C4
More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM349913
PNG
(Synthesis of (S)-5-(4-(3-(4-bromobenzyl)morpholino...)
Show SMILES Nc1nnc([nH]1)N1CCC(CC1)N1CCOCC1Cc1ccc(Br)cc1
Show InChI InChI=1/C18H25BrN6O/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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a<100n/an/an/an/an/an/a



OncoArendi Therapeutics SA

US Patent


Assay Description
An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...


US Patent US10208020 (2019)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q2RR21C4
More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM349914
PNG
(Synthesis of 5-(4-((2S,5S)-5-(4-chlorobenzyl)-2-me...)
Show SMILES C[C@H]1CN(C(Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nnc(N)[nH]1
Show InChI InChI=1/C19H27ClN6O/c1-13-11-26(17(12-27-13)10-14-2-4-15(20)5-3-14)16-6-8-25(9-7-16)19-22-18(21)23-24-19/h2-5,13,16-17H,6-12H2,1H3,(H3,21,22,23,24)/t13-,17?/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a<100n/an/an/an/an/an/a



OncoArendi Therapeutics SA

US Patent


Assay Description
An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...


US Patent US10208020 (2019)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q2RR21C4
More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM349915
PNG
(Synthesis of 5-(4-((2S,5S)-5-(4-chlorobenzyl)-2-et...)
Show SMILES CC[C@H]1CN(C(Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nnc(N)[nH]1
Show InChI InChI=1/C20H29ClN6O/c1-2-18-12-27(17(13-28-18)11-14-3-5-15(21)6-4-14)16-7-9-26(10-8-16)20-23-19(22)24-25-20/h3-6,16-18H,2,7-13H2,1H3,(H3,22,23,24,25)/t17?,18-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a<100n/an/an/an/an/an/a



OncoArendi Therapeutics SA

US Patent


Assay Description
An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...


US Patent US10208020 (2019)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q2RR21C4
More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM349916
PNG
(Synthesis of 5-(4-((2S,5S)-5-(4-chlorobenzyl)-2-is...)
Show SMILES CC(C)[C@H]1CN(C(Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nnc(N)[nH]1
Show InChI InChI=1/C21H31ClN6O/c1-14(2)19-12-28(18(13-29-19)11-15-3-5-16(22)6-4-15)17-7-9-27(10-8-17)21-24-20(23)25-26-21/h3-6,14,17-19H,7-13H2,1-2H3,(H3,23,24,25,26)/t18?,19-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a<100n/an/an/an/an/an/a



OncoArendi Therapeutics SA

US Patent


Assay Description
An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...


US Patent US10208020 (2019)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q2RR21C4
More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM349917
PNG
(Synthesis of 5-(4-((2S,5S)-5-(4-chlorobenzyl)-2-is...)
Show SMILES CC(C)C[C@H]1CN(C(Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nnc(N)[nH]1
Show InChI InChI=1/C22H33ClN6O/c1-15(2)11-20-13-29(19(14-30-20)12-16-3-5-17(23)6-4-16)18-7-9-28(10-8-18)22-25-21(24)26-27-22/h3-6,15,18-20H,7-14H2,1-2H3,(H3,24,25,26,27)/t19?,20-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a<100n/an/an/an/an/an/a



OncoArendi Therapeutics SA

US Patent


Assay Description
An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...


US Patent US10208020 (2019)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q2RR21C4
More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM349918
PNG
(Synthesis of (2S,5S)-4-(1-(5-amino-4H-1,2,4-triazo...)
Show SMILES NC(=O)[C@@H]1CN(C(Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nnc(N)[nH]1
Show InChI InChI=1/C19H26ClN7O2/c20-13-3-1-12(2-4-13)9-15-11-29-16(17(21)28)10-27(15)14-5-7-26(8-6-14)19-23-18(22)24-25-19/h1-4,14-16H,5-11H2,(H2,21,28)(H3,22,23,24,25)/t15?,16-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 550n/an/an/an/an/an/a



OncoArendi Therapeutics SA

US Patent


Assay Description
An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...


US Patent US10208020 (2019)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q2RR21C4
More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM349919
PNG
((2R,5S)-4-(1-(5-amino-4H-1,2,4-triazol-3-yl)piperi...)
Show SMILES NC(=O)[C@H]1CN(C(Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nnc(N)[nH]1
Show InChI InChI=1/C19H26ClN7O2/c20-13-3-1-12(2-4-13)9-15-11-29-16(17(21)28)10-27(15)14-5-7-26(8-6-14)19-23-18(22)24-25-19/h1-4,14-16H,5-11H2,(H2,21,28)(H3,22,23,24,25)/t15?,16-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a<100n/an/an/an/an/an/a



OncoArendi Therapeutics SA

US Patent


Assay Description
An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...


US Patent US10208020 (2019)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q2RR21C4
More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM349920
PNG
(5-(4-((2R,5S)-5-(4-chlorobenzyl)-2-(methoxymethyl)...)
Show SMILES COC[C@H]1CN(C(Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nnc(N)[nH]1
Show InChI InChI=1/C20H29ClN6O2/c1-28-13-18-11-27(17(12-29-18)10-14-2-4-15(21)5-3-14)16-6-8-26(9-7-16)20-23-19(22)24-25-20/h2-5,16-18H,6-13H2,1H3,(H3,22,23,24,25)/t17?,18-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a<100n/an/an/an/an/an/a



OncoArendi Therapeutics SA

US Patent


Assay Description
An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...


US Patent US10208020 (2019)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q2RR21C4
More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM349921
PNG
(5-(4-((2R,5S)-5-(4-chlorobenzyl)-2-(ethoxymethyl)m...)
Show SMILES CCOC[C@H]1CN(C(Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nnc(N)[nH]1
Show InChI InChI=1/C21H31ClN6O2/c1-2-29-14-19-12-28(18(13-30-19)11-15-3-5-16(22)6-4-15)17-7-9-27(10-8-17)21-24-20(23)25-26-21/h3-6,17-19H,2,7-14H2,1H3,(H3,23,24,25,26)/t18?,19-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a<100n/an/an/an/an/an/a



OncoArendi Therapeutics SA

US Patent


Assay Description
An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...


US Patent US10208020 (2019)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q2RR21C4
More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM349922
PNG
((2R,5S)-4-(1-(5-amino-4H-1,2,4-triazol-3-yl)piperi...)
Show SMILES CNC(=O)[C@H]1CN(C(Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nnc(N)[nH]1
Show InChI InChI=1/C20H28ClN7O2/c1-23-18(29)17-11-28(16(12-30-17)10-13-2-4-14(21)5-3-13)15-6-8-27(9-7-15)20-24-19(22)25-26-20/h2-5,15-17H,6-12H2,1H3,(H,23,29)(H3,22,24,25,26)/t16?,17-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a<100n/an/an/an/an/an/a



OncoArendi Therapeutics SA

US Patent


Assay Description
An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...


US Patent US10208020 (2019)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q2RR21C4
More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM349923
PNG
(2-((2R,5S)-4-(1-(5-amino-4H-1,2,4-triazol-3-yl)pip...)
Show SMILES CC(C)(O)[C@H]1CN(C(Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nnc(N)[nH]1
Show InChI InChI=1/C21H31ClN6O2/c1-21(2,29)18-12-28(17(13-30-18)11-14-3-5-15(22)6-4-14)16-7-9-27(10-8-16)20-24-19(23)25-26-20/h3-6,16-18,29H,7-13H2,1-2H3,(H3,23,24,25,26)/t17?,18-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a<100n/an/an/an/an/an/a



OncoArendi Therapeutics SA

US Patent


Assay Description
An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...


US Patent US10208020 (2019)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q2RR21C4
More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM349924
PNG
(5-(4-((2R,5S)-5-(4-chlorobenzyl)-2-(2-methoxypropa...)
Show SMILES COC(C)(C)[C@H]1CN(C(Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nnc(N)[nH]1
Show InChI InChI=1/C22H33ClN6O2/c1-22(2,30-3)19-13-29(18(14-31-19)12-15-4-6-16(23)7-5-15)17-8-10-28(11-9-17)21-25-20(24)26-27-21/h4-7,17-19H,8-14H2,1-3H3,(H3,24,25,26,27)/t18?,19-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a<100n/an/an/an/an/an/a



OncoArendi Therapeutics SA

US Patent


Assay Description
An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...


US Patent US10208020 (2019)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q2RR21C4
More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM349925
PNG
((R)-5-(2-(4-chlorobenzyl)-[1,4′-bipiperidin]...)
Show SMILES Nc1nnc([nH]1)N1CCC(CC1)N1CCCCC1Cc1ccc(Cl)cc1
Show InChI InChI=1/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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a<100n/an/an/an/an/an/a



OncoArendi Therapeutics SA

US Patent


Assay Description
An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...


US Patent US10208020 (2019)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q2RR21C4
More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM349926
PNG
(US10208020, Example 16 | US9944624, Ex. 16 | ethyl...)
Show SMILES CCOC(=O)C1CCC(Cc2ccc(Cl)cc2)N(C1)C1CCN(CC1)c1nnc(N)[nH]1
Show InChI InChI=1/C22H31ClN6O2/c1-2-31-20(30)16-5-8-19(13-15-3-6-17(23)7-4-15)29(14-16)18-9-11-28(12-10-18)22-25-21(24)26-27-22/h3-4,6-7,16,18-19H,2,5,8-14H2,1H3,(H3,24,25,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a<100n/an/an/an/an/an/a



OncoArendi Therapeutics SA

US Patent


Assay Description
An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...


US Patent US10208020 (2019)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q2RR21C4
More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM349927
PNG
((6R)-1′-(5-amino-4H-1,2,4-triazol-3-yl)-6-(4...)
Show SMILES Nc1nnc([nH]1)N1CCC(CC1)N1CC(CCC1Cc1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1/C20H27ClN6O2/c21-15-4-1-13(2-5-15)11-17-6-3-14(18(28)29)12-27(17)16-7-9-26(10-8-16)20-23-19(22)24-25-20/h1-2,4-5,14,16-17H,3,6-12H2,(H,28,29)(H3,22,23,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a<100n/an/an/an/an/an/a



OncoArendi Therapeutics SA

US Patent


Assay Description
An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...


US Patent US10208020 (2019)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q2RR21C4
More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM349928
PNG
((6R)-1′-(5-amino-4H-1,2,4-triazol-3-yl)-6-(4...)
Show SMILES CC1(CCC(Cc2ccc(Cl)cc2)N(C1)C1CCN(CC1)c1nnc(N)[nH]1)C(O)=O
Show InChI InChI=1/C21H29ClN6O2/c1-21(18(29)30)9-6-17(12-14-2-4-15(22)5-3-14)28(13-21)16-7-10-27(11-8-16)20-24-19(23)25-26-20/h2-5,16-17H,6-13H2,1H3,(H,29,30)(H3,23,24,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a<100n/an/an/an/an/an/a



OncoArendi Therapeutics SA

US Patent


Assay Description
An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...


US Patent US10208020 (2019)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q2RR21C4
More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM349929
PNG
(5-((2S,4R)-2-(4-chlorobenzyl)-4-methoxy-[1,4′...)
Show SMILES CO[C@@H]1CCN(C(Cc2ccc(Cl)cc2)C1)C1CCN(CC1)c1nnc(N)[nH]1
Show InChI InChI=1/C20H29ClN6O/c1-28-18-8-11-27(17(13-18)12-14-2-4-15(21)5-3-14)16-6-9-26(10-7-16)20-23-19(22)24-25-20/h2-5,16-18H,6-13H2,1H3,(H3,22,23,24,25)/t17?,18-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a<100n/an/an/an/an/an/a



OncoArendi Therapeutics SA

US Patent


Assay Description
An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...


US Patent US10208020 (2019)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q2RR21C4
More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM349930
PNG
(5-((2S,4S)-2-(4-chlorobenzyl)-4-methoxy-[1,4′...)
Show SMILES CO[C@H]1CCN(C(Cc2ccc(Cl)cc2)C1)C1CCN(CC1)c1nnc(N)[nH]1
Show InChI InChI=1/C20H29ClN6O/c1-28-18-8-11-27(17(13-18)12-14-2-4-15(21)5-3-14)16-6-9-26(10-7-16)20-23-19(22)24-25-20/h2-5,16-18H,6-13H2,1H3,(H3,22,23,24,25)/t17?,18-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a<100n/an/an/an/an/an/a



OncoArendi Therapeutics SA

US Patent


Assay Description
An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...


US Patent US10208020 (2019)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q2RR21C4
More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM349931
PNG
((1′-(5-amino-4H-1,2,4-triazol-3-yl)-[1,4R...)
Show SMILES Nc1nnc([nH]1)N1CCC(CC1)N1CCCCC1C(O)c1ccc(Cl)cc1
Show InChI InChI=1/C19H27ClN6O/c20-14-6-4-13(5-7-14)17(27)16-3-1-2-10-26(16)15-8-11-25(12-9-15)19-22-18(21)23-24-19/h4-7,15-17,27H,1-3,8-12H2,(H3,21,22,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 5.50E+3n/an/an/an/an/an/a



OncoArendi Therapeutics SA

US Patent


Assay Description
An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...


US Patent US10208020 (2019)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q2RR21C4
More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM349932
PNG
(5-(4-((2S,3S)-2-(4-chlorobenzyl)-3-methoxyazetidin...)
Show SMILES CO[C@H]1CN([C@H]1Cc1ccc(Cl)cc1)C1CCN(CC1)c1nnc(N)[nH]1
Show InChI InChI=1/C18H25ClN6O/c1-26-16-11-25(15(16)10-12-2-4-13(19)5-3-12)14-6-8-24(9-7-14)18-21-17(20)22-23-18/h2-5,14-16H,6-11H2,1H3,(H3,20,21,22,23)/t15-,16-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 5.50E+3n/an/an/an/an/an/a



OncoArendi Therapeutics SA

US Patent


Assay Description
An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...


US Patent US10208020 (2019)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q2RR21C4
More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM349933
PNG
(5-(4-((2S,3R)-2-(4-chlorobenzyl)-3-fluoroazetidin-...)
Show SMILES Nc1nnc([nH]1)N1CCC(CC1)N1C[C@@H](F)[C@@H]1Cc1ccc(Cl)cc1
Show InChI InChI=1/C17H22ClFN6/c18-12-3-1-11(2-4-12)9-15-14(19)10-25(15)13-5-7-24(8-6-13)17-21-16(20)22-23-17/h1-4,13-15H,5-10H2,(H3,20,21,22,23)/t14-,15+/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 5.50E+3n/an/an/an/an/an/a



OncoArendi Therapeutics SA

US Patent


Assay Description
An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...


US Patent US10208020 (2019)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q2RR21C4
More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM349934
PNG
((R)-5-(4-(2-(4-chlorobenzyl)pyrrolidin-1-yl)piperi...)
Show SMILES Nc1nnc([nH]1)N1CCC(CC1)N1CCC[C@@H]1Cc1ccc(Cl)cc1
Show InChI InChI=1/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-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a<100n/an/an/an/an/an/a



OncoArendi Therapeutics SA

US Patent


Assay Description
An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...


US Patent US10208020 (2019)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q2RR21C4
More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM349935
PNG
((S)-4-(1-(5-amino-4H-1,2,4-triazol-3-yl)piperidin-...)
Show SMILES Nc1nnc([nH]1)N1CCC(CC1)N1CC(=O)NCC1Cc1ccc(Cl)cc1
Show InChI InChI=1/C18H24ClN7O/c19-13-3-1-12(2-4-13)9-15-10-21-16(27)11-26(15)14-5-7-25(8-6-14)18-22-17(20)23-24-18/h1-4,14-15H,5-11H2,(H,21,27)(H3,20,22,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 5.50E+3n/an/an/an/an/an/a



OncoArendi Therapeutics SA

US Patent


Assay Description
An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...


US Patent US10208020 (2019)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q2RR21C4
More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM349936
PNG
((S)-5-(4-(2-(4-chlorobenzyl)piperazin-1-yl)piperid...)
Show SMILES Nc1nnc([nH]1)N1CCC(CC1)N1CCNC[C@@H]1Cc1ccc(Cl)cc1
Show InChI InChI=1/C18H26ClN7/c19-14-3-1-13(2-4-14)11-16-12-21-7-10-26(16)15-5-8-25(9-6-15)18-22-17(20)23-24-18/h1-4,15-16,21H,5-12H2,(H3,20,22,23,24)/t16-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 550n/an/an/an/an/an/a



OncoArendi Therapeutics SA

US Patent


Assay Description
An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...


US Patent US10208020 (2019)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q2RR21C4
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 176 total )  |  Next  |  Last  >>
Jump to: