BDBM7533 (2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]amino]butan-1-ol::(2R)-2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]butan-1-ol::(2R)-2-[[6-[(phenylmethyl)amino]-9-propan-2-yl-2-purinyl]amino]-1-butanol::(2R)-2-[[6-[(phenylmethyl)amino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol::(2R)-2-{[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]amino}butan-1-ol::(R)-Roscovitine::2,6,9-Trisubstituted purine deriv. 28::CHEMBL14762::CYC-202::Roscovitine::cid_160355

SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1

InChI Key InChIKey=BTIHMVBBUGXLCJ-OAHLLOKOSA-N

Data  5 KI  187 IC50  339 Kd  1 EC50

PDB links: 6 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 = 7533   

TargetCyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
University Of Oxford

Curated by ChEMBL
LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Affinity DataKi:  250nMAssay Description:Inhibition of CDK2/Cyclin A (174 to 432 amino acid residues) (unknown origin) by differential scanning fluorimetry assayMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
University of Dundee

Curated by PDSP Ki Database
LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Affinity DataKi:  250nMMore data for this Ligand-Target Pair
TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
University Of Oxford

Curated by ChEMBL
LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Affinity DataKi:  790nMAssay Description:Inhibition of CDK9/Cyclin T (1 to 330 amino acid residues) (unknown origin) by differential scanning fluorimetry assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Affinity DataKi:  3.10E+3nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCasein kinase I isoform delta(Rattus norvegicus (rat))
University of Dundee

Curated by PDSP Ki Database
LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed