BDBM72050 1-keto-2-[(4-methylcyclohexanecarbonyl)amino]isoquinoline-4-carboxylic acid methyl ester::2-[[(4-methylcyclohexyl)-oxomethyl]amino]-1-oxo-4-isoquinolinecarboxylic acid methyl ester::MLS000519808::SMR000130226::cid_4690158::methyl 2-[(4-methylcyclohexanecarbonyl)amino]-1-oxoisoquinoline-4-carboxylate::methyl 2-[(4-methylcyclohexyl)carbonylamino]-1-oxidanylidene-isoquinoline-4-carboxylate

SMILES COC1(C)CN(CC[C@]2(C)CN(Cc3ccc(Nc4ncc(F)c(-c5cc(F)c6nc(C)n(C(C)C)c6c5)n4)nc3)CCO2)C1

InChI Key InChIKey=MBXIYCOBUAJYKB-UHFFFAOYSA-N

Data  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 72050   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 72050BDBM72050(US12486280, Compound A18)
Affinity DataKi:  1.55E+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 72050BDBM72050(US12486280, Compound A18)
Affinity DataKi:  7.62E+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

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

US Patent
LigandChemical structure of BindingDB Monomer ID 72050BDBM72050(US12486280, Compound A18)
Affinity DataIC50: 2.15E+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