null

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

InChI Key InChIKey=BTIHMVBBUGXLCJ-OAHLLOKOSA-N

PDB links: 6 PDB IDs match this monomer. 6 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

  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 6 hits for monomerid = 7533   

TargetCyclin-dependent kinase 7(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)copy SMILEScopy InChI
Affinity DataKd:  1.80E+3nMpH: 7.4 T: 2°CAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2NC5ZHHPCBioAssay
TargetCyclin-dependent kinase 7(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)copy SMILEScopy InChI
Affinity DataKd:  1.80E+3nMAssay Description:Binding constant for full-length CDK7More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2TT4RX2PubMed
TargetCyclin-dependent kinase 7(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)copy SMILEScopy InChI
Affinity DataIC50: 800nMAssay Description:Inhibition of CDK7 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27M0C84PubMed
TargetCyclin-dependent kinase 7(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)copy SMILEScopy InChI
Affinity DataIC50: 480nMAssay Description:Inhibition of CDK7 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24X5C86PubMed
TargetCyclin-dependent kinase 7(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)copy SMILEScopy InChI
Affinity DataIC50: 510nMAssay Description:Inhibition of CDK7 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2C82DT8PubMed
TargetCyclin-dependent kinase 7(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)copy SMILEScopy InChI
Affinity DataIC50: 500nMAssay Description:Inhibition of CDK7 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FB56K3PubMed