BDBM50113680 (R)-2-(6-(3-chlorophenylamino)-9-isopropyl-9H-purin-2-ylamino)butan-1-ol::2-[6-(3-Chloro-phenylamino)-9-isopropyl-9H-purin-2-ylamino]-butan-1-ol::CHEMBL306783::cid_16746116

SMILES CC[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1

InChI Key InChIKey=PLSQJQBMTUJOLL-CYBMUJFWSA-N

Data  2 IC50  3 EC50

  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 = 50113680   

TargetSolute carrier family 12 member 5(Homo sapiens (Human))
Vanderbilt Screening Center For Gpcrs, Ion Channels and Transporters

Curated by PubChem BioAssay
LigandPNGBDBM50113680((R)-2-(6-(3-chlorophenylamino)-9-isopropyl-9H-puri...)
Affinity DataEC50:  9.54E+3nMAssay Description:Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetSolute carrier family 12 member 5(Homo sapiens (Human))
Vanderbilt Screening Center For Gpcrs, Ion Channels and Transporters

Curated by PubChem BioAssay
LigandPNGBDBM50113680((R)-2-(6-(3-chlorophenylamino)-9-isopropyl-9H-puri...)
Affinity DataEC50:  1.06E+4nMAssay Description:Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetCyclin-dependent kinase 1(Homo sapiens (Human))
Aventis Pharma Deutschland

Curated by ChEMBL
LigandPNGBDBM50113680((R)-2-(6-(3-chlorophenylamino)-9-isopropyl-9H-puri...)
Affinity DataIC50:  3.00E+5nMAssay Description:Binding affinity to cyclin-dependent kinase 1 (CDK1)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUbiquitin-conjugating enzyme E2 N(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50113680((R)-2-(6-(3-chlorophenylamino)-9-isopropyl-9H-puri...)
Affinity DataIC50: >2.00E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetSerine/threonine-protein kinase 33(Homo sapiens (Human))
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM50113680((R)-2-(6-(3-chlorophenylamino)-9-isopropyl-9H-puri...)
Affinity DataEC50:  2.49E+3nMAssay Description:Keywords: STK33 Kinase, Non-ATP Competitive Inhibitor Assay Overview: Purified STK33 Kinase is preincubated with potential inhibitors and allowed to ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay