BDBM50648277 CHEMBL5612245

SMILES COc1cc(O)c(-c2cc(-c3ccc(O)cc3)nc(N3CCNCC3)n2)cc1CC=C(C)C

InChI Key InChIKey=IWVDDNCSSVGRAH-UHFFFAOYSA-N

Data  3 IC50  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50648277   

TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Chongqing Medical University

Curated by ChEMBL
LigandPNGBDBM50648277(CHEMBL5612245)
Affinity DataIC50: 2.00E+4nMMore data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Chongqing Medical University

Curated by ChEMBL
LigandPNGBDBM50648277(CHEMBL5612245)
Affinity DataIC50: 124nMMore data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Chongqing Medical University

Curated by ChEMBL
LigandPNGBDBM50648277(CHEMBL5612245)
Affinity DataIC50: 96nMMore data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Chongqing Medical University

Curated by ChEMBL
LigandPNGBDBM50648277(CHEMBL5612245)
Affinity DataEC50:  84nMMore data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Chongqing Medical University

Curated by ChEMBL
LigandPNGBDBM50648277(CHEMBL5612245)
Affinity DataEC50:  182nMMore data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed