Found 614 hits with Last Name = 'niedziejko' and Initial = 'p' 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 |
|---|
Acidic mammalian chitinase
(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
antibodypedia
GoogleScholar
AffyNet 
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| 4.80 | 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 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
(CHEMBL4788866)Show SMILES C[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nc(N)n[nH]1 |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
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| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| 5.70 | 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 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 | |
Monocarboxylate transporter 4
(Homo sapiens (Human)) | BDBM50610836
(MSC-4381)Show SMILES CCOc1ccc(c2ncccc12)S(=O)(=O)Nc1ccc(Cl)cc1C#Cc1cnc(cc1OC)C(O)=O | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 11 | 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 | |
Monocarboxylate transporter 4
(Homo sapiens (Human)) | BDBM50610833
(CHEMBL5276884)Show SMILES COc1ccc(c2ncccc12)S(=O)(=O)Nc1ccccc1C#Cc1cnc(C(O)=O)c(C)c1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 11 | 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 | |
Monocarboxylate transporter 4
(Homo sapiens (Human)) | BDBM50610834
(CHEMBL5279064)Show SMILES CCOc1ccc(c2ncccc12)S(=O)(=O)Nc1ccccc1C#Cc1ccc(nc1)C(O)=O | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 16 | 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 | |
Monocarboxylate transporter 4
(Homo sapiens (Human)) | BDBM50610830
(CHEMBL5267752)Show SMILES Cc1ccc2cccnc2c1S(=O)(=O)Nc1ccccc1C#Cc1ccc(nc1)C(O)=O | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 17 | 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 | |
Monocarboxylate transporter 4
(Homo sapiens (Human)) | BDBM50610835
(CHEMBL5267349)Show SMILES CCOc1ccc(c2ncccc12)S(=O)(=O)Nc1ccccc1C#Cc1cnc(cc1OC)C(O)=O | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 17 | 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
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antibodypedia
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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) |
Monocarboxylate transporter 4
(Homo sapiens (Human)) | BDBM50610837
(CHEMBL5281492)Show SMILES CCOc1ccc(c2ncccc12)S(=O)(=O)Nc1ccccc1C#Cc1cnc(C(O)=O)c(NC)c1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 17 | 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
(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 | |
Monocarboxylate transporter 4
(Homo sapiens (Human)) | BDBM50610826
(CHEMBL5287351)Show SMILES Cc1cnc2c(cccc2c1)S(=O)(=O)Nc1ccccc1C#Cc1ccc(nc1)C(O)=O | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 29 | 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 | |
Monocarboxylate transporter 4
(Homo sapiens (Human)) | BDBM50610827
(CHEMBL5287780)Show SMILES Cc1ccnc2c(cccc12)S(=O)(=O)Nc1ccccc1C#Cc1ccc(nc1)C(O)=O | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 32 | 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 | |
Monocarboxylate transporter 4
(Homo sapiens (Human)) | BDBM50610824
(CHEMBL5268966)Show SMILES OC(=O)c1ccc(cn1)C#Cc1ccccc1NS(=O)(=O)c1cccc2cccnc12 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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| PC cid
PC sid
UniChem
| | 37 | 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 | |
Monocarboxylate transporter 4
(Homo sapiens (Human)) | BDBM50610829
(CHEMBL5288904)Show SMILES Cc1cc(c2ncccc2c1)S(=O)(=O)Nc1ccccc1C#Cc1ccc(nc1)C(O)=O | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 51 | 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 | |
Monocarboxylate transporter 4
(Homo sapiens (Human)) | BDBM50610831
(CHEMBL5265956)Show SMILES Cc1ccc2cccnc2c1S(=O)(=O)Nc1ccccc1C#Cc1cnc(C(O)=O)c(C)c1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 56 | 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 | |
Monocarboxylate transporter 4
(Homo sapiens (Human)) | BDBM50610825
(CHEMBL5266104)Show SMILES Cc1ccc2cccc(c2n1)S(=O)(=O)Nc1ccccc1C#Cc1ccc(nc1)C(O)=O | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 99 | 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 | |
Monocarboxylate transporter 4
(Homo sapiens (Human)) | BDBM50610828
(CHEMBL5271816)Show SMILES Cc1ccc(c2ncccc12)S(=O)(=O)Nc1ccccc1C#Cc1ccc(nc1)C(O)=O | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 222 | 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 | |
Monocarboxylate transporter 4
(Mus musculus) | BDBM50610868
(CHEMBL5282978)Show SMILES CC1(C)\C(=C\C=C\C=C\C2=[N+](CCCS([O-])(=O)=O)c3ccc(cc3C2(C)CCCCCC(=O)NCCOCCOCCOCCOc2ccnc3c(cccc23)S(=O)(=O)Nc2ccccc2C#Cc2ccc(nc2)C(O)=O)S(O)(=O)=O)N(CCCS(O)(=O)=O)c2ccc(cc12)S(O)(=O)=O |c:9| | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 301 | 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 | |
Acidic mammalian chitinase
(Homo sapiens (Human)) | BDBM50541950
(CHEMBL4643001)Show SMILES CN1C[C@H](Cc2ccc(Cl)cc2)N(Cc2cc(Cl)ccc12)C1CCN(CC1)c1n[nH]c(N)n1 |r| Show InChI InChI=1S/C24H29Cl2N7/c1-31-15-21(12-16-2-4-18(25)5-3-16)33(14-17-13-19(26)6-7-22(17)31)20-8-10-32(11-9-20)24-28-23(27)29-30-24/h2-7,13,20-21H,8-12,14-15H2,1H3,(H3,27,28,29,30)/t21-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
OncoArendi Therapeutics S.A.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant C-terminal His-tagged human acidic mammalian chitinase expressed in CHOK1 cells assessed as reduction in chitin... |
ACS Med Chem Lett 11: 1228-1235 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00092
BindingDB Entry DOI: 10.7270/Q2PV6PX3 |
More data for this
Ligand-Target Pair | |
Acidic mammalian chitinase
(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| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL4776610)Show SMILES CC[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nc(N)n[nH]1 |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50541949
(CHEMBL4635305)Show SMILES CN1C[C@H](Cc2ccc(Cl)cc2)N(Cc2ccccc12)C1CCN(CC1)c1n[nH]c(N)n1 |r| Show InChI InChI=1S/C24H30ClN7/c1-30-16-21(14-17-6-8-19(25)9-7-17)32(15-18-4-2-3-5-22(18)30)20-10-12-31(13-11-20)24-27-23(26)28-29-24/h2-9,20-21H,10-16H2,1H3,(H3,26,27,28,29)/t21-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
OncoArendi Therapeutics S.A.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant C-terminal His-tagged human acidic mammalian chitinase expressed in CHOK1 cells assessed as reduction in chitin... |
ACS Med Chem Lett 11: 1228-1235 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00092
BindingDB Entry DOI: 10.7270/Q2PV6PX3 |
More data for this
Ligand-Target Pair | |
Acidic mammalian chitinase
(Homo sapiens (Human)) | 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
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50541931
(CHEMBL4634943)Show SMILES Nc1nc(n[nH]1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)Cc1cccc(O)c1 Show InChI InChI=1S/C22H27ClN6O/c23-18-6-4-16(5-7-18)8-11-29(15-17-2-1-3-20(30)14-17)19-9-12-28(13-10-19)22-25-21(24)26-27-22/h1-7,14,19,30H,8-13,15H2,(H3,24,25,26,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
OncoArendi Therapeutics S.A.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant C-terminal His-tagged human acidic mammalian chitinase expressed in CHOK1 cells assessed as reduction in chitin... |
ACS Med Chem Lett 11: 1228-1235 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00092
BindingDB Entry DOI: 10.7270/Q2PV6PX3 |
More data for this
Ligand-Target Pair | |
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3
(Homo sapiens (Human)) | BDBM50508562
(CHEMBL4541928)Show SMILES CN1CCCC(C1)NC(=O)c1ccncc1Nc1cc(-c2ccc3ccn(C)c3c2)c2nccnc2c1 Show InChI InChI=1S/C29H29N7O/c1-35-12-3-4-21(18-35)34-29(37)23-7-9-30-17-26(23)33-22-15-24(28-25(16-22)31-10-11-32-28)20-6-5-19-8-13-36(2)27(19)14-20/h5-11,13-17,21,33H,3-4,12,18H2,1-2H3,(H,34,37) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Selvita S.A.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged PFKFB3 expressed in Escherichia coli using fructose-6-phosphate as substrate measured after 2 hrs by ADP-G... |
Bioorg Med Chem Lett 29: 646-653 (2019)
Article DOI: 10.1016/j.bmcl.2018.12.034
BindingDB Entry DOI: 10.7270/Q2BP0620 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Acidic mammalian chitinase
(Homo sapiens (Human)) | BDBM50541930
(CHEMBL4637417)Show SMILES Nc1nc(n[nH]1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)Cc1ccccc1O Show InChI InChI=1S/C22H27ClN6O/c23-18-7-5-16(6-8-18)9-12-29(15-17-3-1-2-4-20(17)30)19-10-13-28(14-11-19)22-25-21(24)26-27-22/h1-8,19,30H,9-15H2,(H3,24,25,26,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
OncoArendi Therapeutics S.A.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant C-terminal His-tagged human acidic mammalian chitinase expressed in CHOK1 cells assessed as reduction in chitin... |
ACS Med Chem Lett 11: 1228-1235 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00092
BindingDB Entry DOI: 10.7270/Q2PV6PX3 |
More data for this
Ligand-Target Pair | |
Acidic mammalian chitinase
(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| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Monocarboxylate transporter 4
(Homo sapiens (Human)) | BDBM21998
(6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-{[(4S)-...)Show SMILES CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(C(=O)N3C[C@H](O)CO3)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C21H27N5O5S/c1-10(2)7-25-20-17(18(28)24(5)21(25)30)16(19(29)26-8-13(27)9-31-26)15(32-20)6-14-11(3)22-23-12(14)4/h10,13,27H,6-9H2,1-5H3,(H,22,23)/t13-/m0/s1 | Reactome pathway
KEGG
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| Purchase
MCE
PC cid
PC sid
UniChem
Patents
Similars
| | n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Acidic mammalian chitinase
(Homo sapiens (Human)) | BDBM50243795
(CHEMBL4077644)Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)Cc1ccccc1Cl Show InChI InChI=1S/C22H26Cl2N6/c23-18-7-5-16(6-8-18)9-12-30(15-17-3-1-2-4-20(17)24)19-10-13-29(14-11-19)22-26-21(25)27-28-22/h1-8,19H,9-15H2,(H3,25,26,27,28) | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
OncoArendi Therapeutics S.A.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant C-terminal His-tagged human acidic mammalian chitinase expressed in CHOK1 cells assessed as reduction in chitin... |
ACS Med Chem Lett 11: 1228-1235 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00092
BindingDB Entry DOI: 10.7270/Q2PV6PX3 |
More data for this
Ligand-Target Pair | |
Acidic mammalian chitinase
(Homo sapiens (Human)) | BDBM50554343
(CHEMBL4794014)Show SMILES CC(C)[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nc(N)n[nH]1 |r| | PDB
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| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50541933
(CHEMBL4646309)Show SMILES Nc1nc(n[nH]1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)Cc1ccc(Cl)cc1 Show InChI InChI=1S/C22H26Cl2N6/c23-18-5-1-16(2-6-18)9-12-30(15-17-3-7-19(24)8-4-17)20-10-13-29(14-11-20)22-26-21(25)27-28-22/h1-8,20H,9-15H2,(H3,25,26,27,28) | PDB
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OncoArendi Therapeutics S.A.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant C-terminal His-tagged human acidic mammalian chitinase expressed in CHOK1 cells assessed as reduction in chitin... |
ACS Med Chem Lett 11: 1228-1235 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00092
BindingDB Entry DOI: 10.7270/Q2PV6PX3 |
More data for this
Ligand-Target Pair | |
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3
(Homo sapiens (Human)) | BDBM50508559
(CHEMBL4592338)Show SMILES CN1CC[C@H](C1)NC(=O)c1ccncc1Nc1cc(-c2ccc3scc(C)c3c2)c2nccnc2c1 |r| Show InChI InChI=1S/C28H26N6OS/c1-17-16-36-26-4-3-18(11-22(17)26)23-12-20(13-24-27(23)31-9-8-30-24)32-25-14-29-7-5-21(25)28(35)33-19-6-10-34(2)15-19/h3-5,7-9,11-14,16,19,32H,6,10,15H2,1-2H3,(H,33,35)/t19-/m1/s1 | PDB
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antibodypedia
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Selvita S.A.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged PFKFB3 expressed in Escherichia coli using fructose-6-phosphate as substrate measured after 2 hrs by ADP-G... |
Bioorg Med Chem Lett 29: 646-653 (2019)
Article DOI: 10.1016/j.bmcl.2018.12.034
BindingDB Entry DOI: 10.7270/Q2BP0620 |
More data for this
Ligand-Target Pair | |
Acidic mammalian chitinase
(Homo sapiens (Human)) | BDBM50243799
(CHEMBL4077482)Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)Cc1ccccc1 Show InChI InChI=1S/C22H27ClN6/c23-19-8-6-17(7-9-19)10-13-29(16-18-4-2-1-3-5-18)20-11-14-28(15-12-20)22-25-21(24)26-27-22/h1-9,20H,10-16H2,(H3,24,25,26,27) | PDB
MMDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
OncoArendi Therapeutics S.A.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant C-terminal His-tagged human acidic mammalian chitinase expressed in CHOK1 cells assessed as reduction in chitin... |
ACS Med Chem Lett 11: 1228-1235 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00092
BindingDB Entry DOI: 10.7270/Q2PV6PX3 |
More data for this
Ligand-Target Pair | |
Acidic mammalian chitinase
(Homo sapiens (Human)) | BDBM50541934
(CHEMBL4632547)Show SMILES Nc1nc(n[nH]1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)Cc1ccc(F)cc1Cl Show InChI InChI=1S/C22H25Cl2FN6/c23-17-4-1-15(2-5-17)7-10-31(14-16-3-6-18(25)13-20(16)24)19-8-11-30(12-9-19)22-27-21(26)28-29-22/h1-6,13,19H,7-12,14H2,(H3,26,27,28,29) | PDB
MMDB
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| PC cid
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| Article
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
OncoArendi Therapeutics S.A.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant C-terminal His-tagged human acidic mammalian chitinase expressed in CHOK1 cells assessed as reduction in chitin... |
ACS Med Chem Lett 11: 1228-1235 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00092
BindingDB Entry DOI: 10.7270/Q2PV6PX3 |
More data for this
Ligand-Target Pair | |
Acidic mammalian chitinase
(Homo sapiens (Human)) | BDBM50541936
(CHEMBL4646247)Show SMILES Nc1nc(n[nH]1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)Cc1cc(F)ccc1F Show InChI InChI=1S/C22H25ClF2N6/c23-17-3-1-15(2-4-17)7-10-31(14-16-13-18(24)5-6-20(16)25)19-8-11-30(12-9-19)22-27-21(26)28-29-22/h1-6,13,19H,7-12,14H2,(H3,26,27,28,29) | PDB
MMDB
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| PC cid
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| Article
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
OncoArendi Therapeutics S.A.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant C-terminal His-tagged human acidic mammalian chitinase expressed in CHOK1 cells assessed as reduction in chitin... |
ACS Med Chem Lett 11: 1228-1235 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00092
BindingDB Entry DOI: 10.7270/Q2PV6PX3 |
More data for this
Ligand-Target Pair | |
Acidic mammalian chitinase
(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| | PDB
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| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50541932
(CHEMBL4649081)Show SMILES Nc1nc(n[nH]1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)Cc1cccc(Cl)c1 Show InChI InChI=1S/C22H26Cl2N6/c23-18-6-4-16(5-7-18)8-11-30(15-17-2-1-3-19(24)14-17)20-9-12-29(13-10-20)22-26-21(25)27-28-22/h1-7,14,20H,8-13,15H2,(H3,25,26,27,28) | PDB
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
OncoArendi Therapeutics S.A.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant C-terminal His-tagged human acidic mammalian chitinase expressed in CHOK1 cells assessed as reduction in chitin... |
ACS Med Chem Lett 11: 1228-1235 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00092
BindingDB Entry DOI: 10.7270/Q2PV6PX3 |
More data for this
Ligand-Target Pair | |
Monocarboxylate transporter 4
(Homo sapiens (Human)) | BDBM21998
(6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-{[(4S)-...)Show SMILES CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(C(=O)N3C[C@H](O)CO3)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C21H27N5O5S/c1-10(2)7-25-20-17(18(28)24(5)21(25)30)16(19(29)26-8-13(27)9-31-26)15(32-20)6-14-11(3)22-23-12(14)4/h10,13,27H,6-9H2,1-5H3,(H,22,23)/t13-/m0/s1 | Reactome pathway
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| | n/a | n/a | 6.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Acidic mammalian chitinase
(Mus musculus) | BDBM50554345
(CHEMBL4789376)Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N1C[C@H](CO)OC[C@@H]1Cc1ccc(Cl)cc1 |r| | PDB
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| Article
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| n/a | n/a | 6.70 | n/a | n/a | n/a | n/a | n/a | n/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
(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
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antibodypedia
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| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 6.80 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50541938
(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 | PDB
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| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
OncoArendi Therapeutics S.A.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant C-terminal His-tagged human acidic mammalian chitinase expressed in CHOK1 cells assessed as reduction in chitin... |
ACS Med Chem Lett 11: 1228-1235 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00092
BindingDB Entry DOI: 10.7270/Q2PV6PX3 |
More data for this
Ligand-Target Pair | |
Acidic mammalian chitinase
(Homo sapiens (Human)) | BDBM50541939
(CHEMBL4648962)Show SMILES Nc1nc(n[nH]1)N1CCC(CC1)N1Cc2cc(F)ccc2OC[C@@H]1Cc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C23H26ClFN6O/c24-17-3-1-15(2-4-17)11-20-14-32-21-6-5-18(25)12-16(21)13-31(20)19-7-9-30(10-8-19)23-27-22(26)28-29-23/h1-6,12,19-20H,7-11,13-14H2,(H3,26,27,28,29)/t20-/m0/s1 | PDB
MMDB
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| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
OncoArendi Therapeutics S.A.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant C-terminal His-tagged human acidic mammalian chitinase expressed in CHOK1 cells assessed as reduction in chitin... |
ACS Med Chem Lett 11: 1228-1235 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00092
BindingDB Entry DOI: 10.7270/Q2PV6PX3 |
More data for this
Ligand-Target Pair | |
Acidic mammalian chitinase
(Homo sapiens (Human)) | 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
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| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50541938
(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 | PDB
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UniChem
| Article
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| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Monocarboxylate transporter 4
(Homo sapiens (Human)) | BDBM50103571
(CHEMBL3335793)Show SMILES CC(C)n1c2sc(Cc3c(C)[nH]nc3C(F)(F)F)c(C(=O)N3C[C@](C)(O)CO3)c2c(=O)n(C)c1=O |r| | Reactome pathway
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| | n/a | n/a | 7.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Acidic mammalian chitinase
(Mus musculus) | BDBM50554347
(CHEMBL4755139)Show SMILES COC[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nc(N)n[nH]1 |r| | PDB
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| n/a | n/a | 7.70 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL4788866)Show SMILES C[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nc(N)n[nH]1 |r| | PDB
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| n/a | n/a | 7.80 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL4749391)Show SMILES CNC(=O)[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nc(N)n[nH]1 |r| | PDB
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UniChem
| Article
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| n/a | n/a | 7.80 | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50541940
(CHEMBL4638897)Show SMILES Nc1nc(n[nH]1)N1CCC(CC1)N1Cc2cc(Cl)ccc2OC[C@@H]1Cc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C23H26Cl2N6O/c24-17-3-1-15(2-4-17)11-20-14-32-21-6-5-18(25)12-16(21)13-31(20)19-7-9-30(10-8-19)23-27-22(26)28-29-23/h1-6,12,19-20H,7-11,13-14H2,(H3,26,27,28,29)/t20-/m0/s1 | PDB
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OncoArendi Therapeutics S.A.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant C-terminal His-tagged human acidic mammalian chitinase expressed in CHOK1 cells assessed as reduction in chitin... |
ACS Med Chem Lett 11: 1228-1235 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00092
BindingDB Entry DOI: 10.7270/Q2PV6PX3 |
More data for this
Ligand-Target Pair | |
Acidic mammalian chitinase
(Homo sapiens (Human)) | 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
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.90 | n/a | n/a | n/a | n/a | n/a | n/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 | |
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