BDBM50554340 CHEMBL4788866

SMILES C[C@H]1CN([C@H](CO1)Cc2ccc(cc2)Cl)C3CCN(CC3)c4[nH]nc(n4)N

InChI Key InChIKey=STWVLEKJQQRGMO-UHFFFAOYSA-N

Data  4 KI  5 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50554340   

TargetChitotriosidase-1(Human)
Oncoarendi Therapeutics

Curated by ChEMBL
LigandPNGBDBM50554340(CHEMBL4788866)
Affinity DataIC50: 23nMAssay 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...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetChitotriosidase-1(Mouse)
Oncoarendi Therapeutics

Curated by ChEMBL
LigandPNGBDBM50554340(CHEMBL4788866)
Affinity DataIC50: 28nMAssay Description:Inhibition of recombinant full-length C-terminal his-tagged mouse CHIT1 expressed in CHO-K1 cells assessed as reduction in chitinolytic activity usin...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
TargetAcidic mammalian chitinase(Human)
Oncoarendi Therapeutics

Curated by ChEMBL
LigandPNGBDBM50554340(CHEMBL4788866)
Affinity DataIC50: 9nMAssay 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...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
TargetAcidic mammalian chitinase(Mouse)
Oncoarendi Therapeutics

Curated by ChEMBL
LigandPNGBDBM50554340(CHEMBL4788866)
Affinity DataIC50: 7.80nMAssay 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...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Oncoarendi Therapeutics

Curated by ChEMBL
LigandPNGBDBM50554340(CHEMBL4788866)
Affinity DataIC50: 2.30E+4nMAssay Description:Inhibition of tracer red binding to human ERG expressed in HEK293 cell membranes measured after 2 to 6 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
TargetChitinase-3-like protein 1(Human)
Molecure

Curated by ChEMBL
LigandPNGBDBM50554340(CHEMBL4788866)
Affinity DataKd: >1.00E+5nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetAcidic mammalian chitinase(Human)
Oncoarendi Therapeutics

Curated by ChEMBL
LigandPNGBDBM50554340(CHEMBL4788866)
Affinity DataKi:  4.80nMAssay 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...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
TargetAcidic mammalian chitinase(Mouse)
Oncoarendi Therapeutics

Curated by ChEMBL
LigandPNGBDBM50554340(CHEMBL4788866)
Affinity DataKi:  5.70nMAssay 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...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
TargetChitotriosidase-1(Human)
Oncoarendi Therapeutics

Curated by ChEMBL
LigandPNGBDBM50554340(CHEMBL4788866)
Affinity DataKi:  17nMAssay 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...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetChitotriosidase-1(Mouse)
Oncoarendi Therapeutics

Curated by ChEMBL
LigandPNGBDBM50554340(CHEMBL4788866)
Affinity DataKi:  26nMAssay Description:Inhibition of recombinant full-length C-terminal his-tagged mouse CHIT1 expressed in CHO-K1 cells assessed as reduction in chitinolytic activity usin...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed