BDBM79878 3-(4-chlorophenyl)-5-methyl-7,8-dihydro-6H-cyclopenta[e]pyrazolo[1,5-a]pyrimidine::MLS000721451::SMR000337085::cid_1477883

SMILES Cc1c([nH]c(c1NC(=O)[C@H](c2ccco2)O)C)/C=C\3/c4cc(ccc4NC3=O)C(=O)N[C@H](C)c5ccc(cc5)F

InChI Key InChIKey=XSBCFLGDNDHVIP-UHFFFAOYSA-N

Data  2 IC50

PDB links: 2 PDB IDs match 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 5 hits for monomerid = 79878   

TargetG protein-coupled receptor kinase 5(Human)
Purdue University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 79878BDBM79878(US20250388567, Compound 14)
Affinity DataIC50: 30nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/5/2026
Entry Details PubMedPDB3D3D Structure (crystal)
TargetG protein-coupled receptor kinase 6(Human)
Purdue University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 79878BDBM79878(US20250388567, Compound 14)
Affinity DataIC50: 36nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/5/2026
Entry Details PubMed
TargetG protein-coupled receptor kinase 5(Human)
Purdue University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 79878BDBM79878(US20250388567, Compound 14)
Affinity DataIC50: 100nMAssay Description:Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/6/2026
Entry Details
US Patent
PDB3D3D Structure (crystal)
TargetBeta-adrenergic receptor kinase 1(Human)
Purdue University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 79878BDBM79878(US20250388567, Compound 14)
Affinity DataIC50: 2.20E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/5/2026
Entry Details PubMed
TargetBeta-adrenergic receptor kinase 1(Bovine)
Purdue Research Foundation

US Patent
LigandChemical structure of BindingDB Monomer ID 79878BDBM79878(US20250388567, Compound 14)
Affinity DataIC50: 5.50E+3nMAssay Description:Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/6/2026
Entry Details
US Patent