BDBM72044 4-[1-(4-bromobenzyl)-3-phenyl-pyrazol-4-yl]-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid methyl ester::4-[1-[(4-bromophenyl)methyl]-3-phenyl-4-pyrazolyl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid methyl ester::MLS000324832::SMR000159835::cid_3469746::methyl 4-[1-(4-bromobenzyl)-3-phenyl-1H-pyrazol-4-yl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate::methyl 4-[1-[(4-bromophenyl)methyl]-3-phenyl-pyrazol-4-yl]-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate::methyl 4-[1-[(4-bromophenyl)methyl]-3-phenylpyrazol-4-yl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate

SMILES Cc1cnc(Nc2ccc(CN3CCO[C@](C)(CCN(C)CC(F)F)C3)cn2)nc1-c1cc(F)c2nc(C)n(C(C)C)c2c1

InChI Key InChIKey=SKQMCCDJZOEPAT-UHFFFAOYSA-N

Data  1 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 3 hits for monomerid = 72044   

TargetCyclin-dependent kinase 6(Human)
California Institute Of Technology

US Patent
LigandChemical structure of BindingDB Monomer ID 72044BDBM72044(US12486280, Compound A29)
Affinity DataKi:  1.80E+3nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/14/2026
Entry Details
US Patent

TargetPotassium voltage-gated channel subfamily H member 2(Human)
California Institute Of Technology

US Patent
LigandChemical structure of BindingDB Monomer ID 72044BDBM72044(US12486280, Compound A29)
Affinity DataKi:  1.05E+4nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/14/2026
Entry Details
US Patent

TargetCyclin-dependent kinase 4(Human)
California Institute Of Technology

US Patent
LigandChemical structure of BindingDB Monomer ID 72044BDBM72044(US12486280, Compound A29)
Affinity DataIC50: 2.55E+4nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/14/2026
Entry Details
US Patent