BDBM50645813 CHEMBL5595148

SMILES Cc1cc(c(c2c1C(=O)NC3=C(C(=O)[C@H]([C@]([C@H]3O2)(C)OC)O)C)C)O

InChI Key InChIKey=RSOUMUSKPLQSCG-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50645813   

TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Human)
LifeMine Therapeutics

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50645813BDBM50645813(CHEMBL5595148)
Affinity DataIC50: 3.00E+3nMAssay Description:Reversible inhibition of human full length CDK2 (1 to 298 residues)/N-terminal GST-tagged Cyclin E1 (1 to 410 residues) expressed in baculovirus expr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetCyclin-dependent kinase/G2/mitotic-specific cyclin- 1(Human)
LifeMine Therapeutics

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50645813BDBM50645813(CHEMBL5595148)
Affinity DataIC50: 7.00E+3nMAssay Description:Reversible inhibition of human full length CDK1 (1 to 297 residues)/N-terminal GST-fused Cyclin B1 (1 to 433 residues) expressed in baculovirus expre...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
LigandChemical structure of BindingDB Monomer ID 50645813BDBM50645813(CHEMBL5595148)
Affinity DataIC50: 9.00E+3nMAssay Description:Reversible inhibition of human full length CDK7 (1 to 346 residues)/N-terminal GST-fused Cyclin H (1 to 323 residues)/MAT1 (1 to 309 residues) expres...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
LigandChemical structure of BindingDB Monomer ID 50645813BDBM50645813(CHEMBL5595148)
Affinity DataEC50: >3.30E+4nMAssay Description:Inhibition of CDK7/Cyclin H/MAT1 NanoLuc fusion vector (unknown origin) expressed in HEK293 cells incubated for 2 hrs by NanoBRET luminescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetCyclin-dependent kinase/G2/mitotic-specific cyclin- 1(Human)
LifeMine Therapeutics

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50645813BDBM50645813(CHEMBL5595148)
Affinity DataEC50: >3.30E+4nMAssay Description:Inhibition of CDK1/Cyclin B1 NanoLuc fusion vector (unknown origin) expressed in HEK293 cells incubated for 2 hrs by NanoBRET luminescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Human)
LifeMine Therapeutics

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50645813BDBM50645813(CHEMBL5595148)
Affinity DataEC50: >3.30E+4nMAssay Description:Inhibition of CDK2/Cyclin E1 NanoLuc fusion vector (unknown origin) expressed in HEK293 cells incubated for 2 hrs by NanoBRET luminescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMedPDB3D3D Structure (crystal)