BDBM50645436 CHEMBL5594973

SMILES C[C@@H](Nc1cc(N2CCN(C(N)=O)CC2)nc2nc(C3CC3)nn12)c1ccc2ccccc2c1

InChI Key InChIKey=TUOBKNKUSLWHLI-UHFFFAOYSA-N

Data  6 IC50  1 EC50

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 7 hits for monomerid = 50645436   

TargetP2X purinoceptor 3(Human)
Gwangju Institute of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50645436(CHEMBL5594973)
Affinity DataIC50: 55nMMore data for this Ligand-Target Pair
Ligand InfoPDB
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetPlatelet-derived growth factor receptor alpha/beta(Mouse)
Gwangju Institute of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50645436(CHEMBL5594973)
Affinity DataIC50: 1.18E+3nMMore data for this Ligand-Target Pair
Ligand InfoPDB
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetP2X purinoceptor 1(Human)
Gwangju Institute of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50645436(CHEMBL5594973)
Affinity DataIC50: 4.28E+3nMMore data for this Ligand-Target Pair
Ligand InfoPDB
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetP2X purinoceptor 2(Human)
Gwangju Institute of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50645436(CHEMBL5594973)
Affinity DataIC50: 1.00E+4nMMore data for this Ligand-Target Pair
Ligand InfoPDB
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetP2X purinoceptor 4(Human)
Gwangju Institute of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50645436(CHEMBL5594973)
Affinity DataIC50: 1.00E+4nMMore data for this Ligand-Target Pair
Ligand InfoPDB
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetP2X purinoceptor 7(Human)
Gwangju Institute of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50645436(CHEMBL5594973)
Affinity DataIC50: 1.00E+4nMMore data for this Ligand-Target Pair
Ligand InfoPDB
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetP2X purinoceptor 3(Human)
Gwangju Institute of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50645436(CHEMBL5594973)
Affinity DataEC50:  362nMMore data for this Ligand-Target Pair
Ligand InfoPDB
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMedPDB3D3D Structure (crystal)