BDBM808401 4-[5-(2-methyl- 2H-1,2,3,4- tetrazol-5-yl)-1H- pyrrol-3-yl]-N- [(3S)-piperidin-3- yl]-5- (trifluoromethyl)py- rimidin-2-amine::US20260137698, Compound CDK7-1000

SMILES Cn1nnc(-c2cc(-c3nc(N[C@H]4CCCNC4)ncc3C(F)(F)F)c[nH]2)n1

InChI Key InChIKey=NCWWVAVIVVAESA-UHFFFAOYSA-N

Data  4 IC50

  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 4 hits for monomerid = 808401   

Targetcdk7/cyclinh/mnat(Human)
Joint Stock Company «Biocad»

US Patent
LigandChemical structure of BindingDB Monomer ID 808401BDBM808401(4-[5-(2-methyl- 2H-1,2,3,4- tetrazol-5-yl)-1H- pyr...)
Affinity DataIC50: 10nMAssay Description:Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...More data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
9/30/2026
Entry Details
US Patent

Targetcdk9/cyclin k(Human)
Joint Stock Company «Biocad»

US Patent
LigandChemical structure of BindingDB Monomer ID 808401BDBM808401(4-[5-(2-methyl- 2H-1,2,3,4- tetrazol-5-yl)-1H- pyr...)
Affinity DataIC50: 27.5nMAssay Description:Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...More data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
9/30/2026
Entry Details
US Patent

TargetCyclin-K/Cyclin-dependent kinase 13(Human)
Joint Stock Company «Biocad»

US Patent
LigandChemical structure of BindingDB Monomer ID 808401BDBM808401(4-[5-(2-methyl- 2H-1,2,3,4- tetrazol-5-yl)-1H- pyr...)
Affinity DataIC50: 27.5nMAssay Description:Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...More data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
9/30/2026
Entry Details
US Patent

Targetcdk2/cyclin a(Human)
Joint Stock Company «Biocad»

US Patent
LigandChemical structure of BindingDB Monomer ID 808401BDBM808401(4-[5-(2-methyl- 2H-1,2,3,4- tetrazol-5-yl)-1H- pyr...)
Affinity DataIC50: 200nMAssay Description:Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...More data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
9/30/2026
Entry Details
US Patent