Found 519 hits Enz. Inhib. hit(s) with Target = 'Chitotriosidase-1' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Chitotriosidase-1
(Homo sapiens (Human)) | BDBM50541929
(CHEMBL1738785)Show SMILES Cn1cnc2n(C)c(=O)n(CCCn3c(=O)n(C)c4[nH]cnc4c3=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
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
PDB
UniChem
| | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Chitotriosidase-1
(Homo sapiens (Human)) | BDBM50554340
(CHEMBL4788866)Show SMILES C[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nc(N)n[nH]1 |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Chitotriosidase-1
(Mus musculus) | BDBM50554340
(CHEMBL4788866)Show SMILES C[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nc(N)n[nH]1 |r| | UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Mus musculus) | BDBM50514508
(CHEMBL4549449)Show SMILES CC(NC(=O)c1cc2c(nc3ccccn3c2=O)n(Cc2ccccc2)c1=N)c1ccccc1 Show InChI InChI=1S/C27H23N5O2/c1-18(20-12-6-3-7-13-20)29-26(33)21-16-22-25(30-23-14-8-9-15-31(23)27(22)34)32(24(21)28)17-19-10-4-2-5-11-19/h2-16,18,28H,17H2,1H3,(H,29,33) | UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of mouse CHIT1 catalytic domain overexpressed in Pichia pastoris using 4MU-(GlcNAc)2 as substrate after 30 mins by fluorescence based micr... |
J Med Chem 63: 987-1001 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01154
BindingDB Entry DOI: 10.7270/Q2N019W8 |
More data for this
Ligand-Target Pair | |
Chitotriosidase-1
(Homo sapiens (Human)) | BDBM50514508
(CHEMBL4549449)Show SMILES CC(NC(=O)c1cc2c(nc3ccccn3c2=O)n(Cc2ccccc2)c1=N)c1ccccc1 Show InChI InChI=1S/C27H23N5O2/c1-18(20-12-6-3-7-13-20)29-26(33)21-16-22-25(30-23-14-8-9-15-31(23)27(22)34)32(24(21)28)17-19-10-4-2-5-11-19/h2-16,18,28H,17H2,1H3,(H,29,33) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| 49 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of human CHIT1 catalytic domain overexpressed in Pichia pastoris using 4MU-(GlcNAc)2 as substrate after 30 mins by fluorescence based micr... |
J Med Chem 63: 987-1001 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01154
BindingDB Entry DOI: 10.7270/Q2N019W8 |
More data for this
Ligand-Target Pair | |
Chitotriosidase-1
(Homo sapiens (Human)) | BDBM50243745
(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
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 312 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
OncoArendi Therapeutics SA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant full length C-terminal His-tagged chitotriosidase expressed in CHO-K1 cells using 4-methylumbelliferyl-beta-D-N,N',N\... |
J Med Chem 61: 695-710 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01051
BindingDB Entry DOI: 10.7270/Q2J105J5 |
More data for this
Ligand-Target Pair | |
Chitotriosidase-1
(Homo sapiens (Human)) | BDBM50587857
(CHEMBL5199149)Show SMILES [Cl-].COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OC(=O)c1ccc(F)nc1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116143
BindingDB Entry DOI: 10.7270/Q28G8QN5 |
More data for this
Ligand-Target Pair | |
Chitotriosidase-1
(Homo sapiens (Human)) | BDBM50514507
(CHEMBL1583158)Show SMILES Cc1cccn2c1nc1n(CC3CCCO3)c(=N)c(cc1c2=O)C(=O)NCc1cccnc1 Show InChI InChI=1S/C24H24N6O3/c1-15-5-3-9-29-21(15)28-22-19(24(29)32)11-18(20(25)30(22)14-17-7-4-10-33-17)23(31)27-13-16-6-2-8-26-12-16/h2-3,5-6,8-9,11-12,17,25H,4,7,10,13-14H2,1H3,(H,27,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| 1.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of human CHIT1 catalytic domain overexpressed in Pichia pastoris using 4MU-(GlcNAc)2 as substrate after 30 mins by fluorescence based micr... |
J Med Chem 63: 987-1001 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01154
BindingDB Entry DOI: 10.7270/Q2N019W8 |
More data for this
Ligand-Target Pair | |
Chitotriosidase-1
(Mus musculus) | BDBM50514507
(CHEMBL1583158)Show SMILES Cc1cccn2c1nc1n(CC3CCCO3)c(=N)c(cc1c2=O)C(=O)NCc1cccnc1 Show InChI InChI=1S/C24H24N6O3/c1-15-5-3-9-29-21(15)28-22-19(24(29)32)11-18(20(25)30(22)14-17-7-4-10-33-17)23(31)27-13-16-6-2-8-26-12-16/h2-3,5-6,8-9,11-12,17,25H,4,7,10,13-14H2,1H3,(H,27,31) | UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| 1.94E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of mouse CHIT1 catalytic domain overexpressed in Pichia pastoris using 4MU-(GlcNAc)2 as substrate after 30 mins by fluorescence based micr... |
J Med Chem 63: 987-1001 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01154
BindingDB Entry DOI: 10.7270/Q2N019W8 |
More data for this
Ligand-Target Pair | |
Chitotriosidase-1
(Mus musculus) | BDBM50243745
(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) | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
OncoArendi Therapeutics SA
Curated by ChEMBL
| Assay Description
Inhibition of mouse recombinant full length C-terminal His-tagged chitotriosidase expressed in CHO-K1 cells using 4-methylumbelliferyl-beta-D-N,N',N\... |
J Med Chem 61: 695-710 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01051
BindingDB Entry DOI: 10.7270/Q2J105J5 |
More data for this
Ligand-Target Pair | |
Chitotriosidase-1
(Homo sapiens (Human)) | CHEMBL5265903
| PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
UniChem
| | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Chitotriosidase-1
(Homo sapiens (Human)) | CHEMBL5280316
| PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
UniChem
| | 5.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Chitotriosidase-1
(Homo sapiens (Human)) | CHEMBL5272737
| PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
UniChem
| | 5.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Chitotriosidase-1
(Homo sapiens (Human)) | CHEMBL5288210
| PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
UniChem
| | 6.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Chitotriosidase-1
(Homo sapiens (Human)) | CHEMBL5269695
| PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
UniChem
| | 6.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Chitotriosidase-1
(Homo sapiens (Human)) | CHEMBL5287414
| PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
UniChem
| | 6.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Chitotriosidase-1
(Homo sapiens (Human)) | CHEMBL5289877
| PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
UniChem
| | 6.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Chitotriosidase-1
(Homo sapiens (Human)) | CHEMBL5279325
| PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
UniChem
| | 7.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Chitotriosidase-1
(Homo sapiens (Human)) | BDBM50254171
(CHEMBL4069120)Show SMILES CNC(=O)NC(=N)NCCCCCCCCN1CCCCCCOc2ccccc2CNC(=N)NC1=O Show InChI InChI=1S/C26H44N8O3/c1-29-25(35)32-23(27)30-16-10-4-2-3-5-11-17-34-18-12-6-7-13-19-37-22-15-9-8-14-21(22)20-31-24(28)33-26(34)36/h8-9,14-15H,2-7,10-13,16-20H2,1H3,(H3,28,31,33,36)(H4,27,29,30,32,35) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| | 9.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Chitotriosidase-1
(Homo sapiens (Human)) | CHEMBL5270383
| PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
UniChem
| | 1.24E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Chitotriosidase-1
(Homo sapiens (Human)) | CHEMBL5268683
| PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
UniChem
| | 1.24E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Chitotriosidase-1
(Homo sapiens (Human)) | CHEMBL5270387
| PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
UniChem
| | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Chitotriosidase-1
(Homo sapiens (Human)) | CHEMBL5280623
| PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
UniChem
| | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Chitotriosidase-1
(Homo sapiens (Human)) | CHEMBL5272989
| PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
UniChem
| | 1.59E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Chitotriosidase-1
(Homo sapiens (Human)) | CHEMBL5290508
| PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
UniChem
| | 3.14E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Chitotriosidase-1
(Homo sapiens (Human)) | CHEMBL5279201
| PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
UniChem
| | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Chitotriosidase-1
(Homo sapiens (Human)) | CHEMBL5268303
| PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
UniChem
| | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Chitotriosidase-1
(Homo sapiens (Human)) | CHEMBL5283905
| PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
UniChem
| | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Chitotriosidase-1
(Homo sapiens (Human)) | CHEMBL5283183
| PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
UniChem
| | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Chitotriosidase-1
(Homo sapiens (Human)) | BDBM50214361
(CHEMBL415389)Show SMILES [H][C@]12CSC(CCCCC(=O)NCCCCCC(=O)N\N=C\C(CO)OC(OC3C(CO)OC(OC4C(O)C5N=C(OC5C4CO)N(C)C)C(NC(C)=O)C3O)C(NC(C)=O)\C=N\NC(=O)CCCCCNC(=O)CCCCC3SC[C@]4([H])NC(=O)N[C@]34[H])[C@@]1([H])NC(=O)N2 |c:39| Show InChI InChI=1S/C57H94N14O18S2/c1-30(75)62-34(24-61-70-43(80)20-8-6-14-22-59-41(78)18-12-10-16-39-45-36(29-91-39)65-56(84)67-45)53(85-32(25-72)23-60-69-42(79)19-7-5-13-21-58-40(77)17-11-9-15-38-44-35(28-90-38)64-55(83)66-44)88-52-37(27-74)86-54(47(49(52)82)63-31(2)76)87-51-33(26-73)50-46(48(51)81)68-57(89-50)71(3)4/h23-24,32-39,44-54,72-74,81-82H,5-22,25-29H2,1-4H3,(H,58,77)(H,59,78)(H,62,75)(H,63,76)(H,69,79)(H,70,80)(H2,64,66,83)(H2,65,67,84)/b60-23+,61-24+/t32?,33?,34?,35-,36-,37?,38?,39?,44-,45-,46?,47?,48?,49?,50?,51?,52?,53?,54?/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 7.53 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tokyo
Curated by ChEMBL
| Assay Description
Compound was evaluated for inhibitory activity against Trichoderma Chitinase |
Bioorg Med Chem Lett 8: 2987-90 (1998)
BindingDB Entry DOI: 10.7270/Q2TM7D9X |
More data for this
Ligand-Target Pair | |
Chitotriosidase-1
(Homo sapiens (Human)) | BDBM10854
(4-[(1S,4R,10S,13S,16S,18R)-10-{3-[(acetamidomethan...)Show SMILES CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O |r| Show InChI InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21-,22+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
| MMDB
PDB
Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | 5.2 | 37 |
University of Dundee
| Assay Description
The IC50s of inhibitor against the human chitinase were determined using the fluorogenic substrate 4MU-NAG3. The fluorescence of the liberated 4MU wa... |
Chem Biol 12: 65-76 (2005)
Article DOI: 10.1016/j.chembiol.2004.10.013
BindingDB Entry DOI: 10.7270/Q23F4MV6 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Chitotriosidase-1
(Mus musculus) | BDBM50554342
(CHEMBL4776610)Show SMILES CC[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nc(N)n[nH]1 |r| | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50554342
(CHEMBL4776610)Show SMILES CC[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nc(N)n[nH]1 |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Chitotriosidase-1
(Mus musculus) | BDBM50554344
(CHEMBL4756869)Show SMILES CC(C)C[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nc(N)n[nH]1 |r| | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL4756869)Show SMILES CC(C)C[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nc(N)n[nH]1 |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Chitotriosidase-1
(Homo sapiens (Human)) | BDBM50214358
(CHEMBL318258)Show SMILES CN(C)C1=NC2C(O)C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4NC(C)=O)C(O)C3NC(C)=O)C(CO)C2O1 |t:3| Show InChI InChI=1S/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) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PubMed
| n/a | n/a | 16.1 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tokyo
Curated by ChEMBL
| Assay Description
Compound was evaluated for inhibitory activity against Trichoderma Chitinase |
Bioorg Med Chem Lett 8: 2987-90 (1998)
BindingDB Entry DOI: 10.7270/Q2TM7D9X |
More data for this
Ligand-Target Pair | |
Chitotriosidase-1
(Homo sapiens (Human)) | BDBM50554343
(CHEMBL4794014)Show SMILES CC(C)[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nc(N)n[nH]1 |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Chitotriosidase-1
(Mus musculus) | BDBM50554343
(CHEMBL4794014)Show SMILES CC(C)[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nc(N)n[nH]1 |r| | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50504025
(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/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50554345
(CHEMBL4789376)Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N1C[C@H](CO)OC[C@@H]1Cc1ccc(Cl)cc1 |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Chitotriosidase-1
(Homo sapiens (Human)) | BDBM50554347
(CHEMBL4755139)Show SMILES COC[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nc(N)n[nH]1 |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Chitotriosidase-1
(Homo sapiens (Human)) | BDBM50554346
(CHEMBL4764430)Show SMILES CC(C)(O)[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nc(N)n[nH]1 |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Chitotriosidase-1
(Homo sapiens (Human)) | BDBM50554340
(CHEMBL4788866)Show SMILES C[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nc(N)n[nH]1 |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Chitotriosidase-1
(Mus musculus) | BDBM50453493
(CHEMBL4209639)Show SMILES C[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CN1CC(=O)N(C)C)C1CCN(CC1)c1n[nH]c(N)n1 |r| Show InChI InChI=1S/C23H35ClN8O/c1-16-13-32(19-8-10-30(11-9-19)23-26-22(25)27-28-23)20(12-17-4-6-18(24)7-5-17)14-31(16)15-21(33)29(2)3/h4-7,16,19-20H,8-15H2,1-3H3,(H3,25,26,27,28)/t16-,20-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of mouse CHIT1 using 4-methylumbelliferyl beta-D-N,N',N'' triacetylchitotrioside as substrate measured after 60 mins by fluorometric metho... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2017.12.047
BindingDB Entry DOI: 10.7270/Q2ZK5K77 |
More data for this
Ligand-Target Pair | |
Chitotriosidase-1
(Mus musculus) | BDBM50554345
(CHEMBL4789376)Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N1C[C@H](CO)OC[C@@H]1Cc1ccc(Cl)cc1 |r| | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50504017
(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/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50554340
(CHEMBL4788866)Show SMILES C[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nc(N)n[nH]1 |r| | UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/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
(Mus musculus) | BDBM50554346
(CHEMBL4764430)Show SMILES CC(C)(O)[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nc(N)n[nH]1 |r| | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/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
(Mus musculus) | BDBM50453495
(CHEMBL4202739)Show SMILES [H][C@@]12C[C@H](O)CN1C[C@H](Cc1ccc(Cl)cc1)N(C2)C1CCN(CC1)c1n[nH]c(N)n1 |r| Show InChI InChI=1S/C21H30ClN7O/c22-15-3-1-14(2-4-15)9-18-11-28-13-19(30)10-17(28)12-29(18)16-5-7-27(8-6-16)21-24-20(23)25-26-21/h1-4,16-19,30H,5-13H2,(H3,23,24,25,26)/t17-,18-,19-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of mouse CHIT1 using 4-methylumbelliferyl beta-D-N,N',N'' triacetylchitotrioside as substrate measured after 60 mins by fluorometric metho... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2017.12.047
BindingDB Entry DOI: 10.7270/Q2ZK5K77 |
More data for this
Ligand-Target Pair | |
Chitotriosidase-1
(Mus musculus) | BDBM50453526
(CHEMBL4206372)Show SMILES CC(C)CN1C[C@H](Cc2ccc(Cl)cc2)N(C[C@@H]1C)C1CCN(CC1)c1n[nH]c(N)n1 |r| Show InChI InChI=1S/C23H36ClN7/c1-16(2)13-30-15-21(12-18-4-6-19(24)7-5-18)31(14-17(30)3)20-8-10-29(11-9-20)23-26-22(25)27-28-23/h4-7,16-17,20-21H,8-15H2,1-3H3,(H3,25,26,27,28)/t17-,21-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Search and Browse
