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BDBM50267719 2-(6-((3-chlorophenyl)(methyl)amino)-9-isopropyl-9H-purin-2-ylamino)ethanol::CHEMBL519036

SMILES: CC(C)n1cnc2c(nc(NCCO)nc12)N(C)c1cccc(Cl)c1

InChI Key: InChIKey=BMUXNLKQMJEFGS-UHFFFAOYSA-N

Data: 5 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50267719   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cell division control protein 28


(Saccharomyces cerevisiae)
BDBM50267719
PNG
(2-(6-((3-chlorophenyl)(methyl)amino)-9-isopropyl-9...)
Show SMILES CC(C)n1cnc2c(nc(NCCO)nc12)N(C)c1cccc(Cl)c1
Show InChI InChI=1S/C17H21ClN6O/c1-11(2)24-10-20-14-15(21-17(19-7-8-25)22-16(14)24)23(3)13-6-4-5-12(18)9-13/h4-6,9-11,25H,7-8H2,1-3H3,(H,19,21,22)
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UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of yeast W303 cdc28 phosphorylation assessed as [32P] incorporation in histone H1 from [gamma32P]ATP by scintillation counting


Science 281: 533-538 (1998)


Article DOI: 10.1126/science.281.5376.533
BindingDB Entry DOI: 10.7270/Q28G8MMG
More data for this
Ligand-Target Pair
Pho80/Pho85


(Saccharomyces cerevisiae)
BDBM50267719
PNG
(2-(6-((3-chlorophenyl)(methyl)amino)-9-isopropyl-9...)
Show SMILES CC(C)n1cnc2c(nc(NCCO)nc12)N(C)c1cccc(Cl)c1
Show InChI InChI=1S/C17H21ClN6O/c1-11(2)24-10-20-14-15(21-17(19-7-8-25)22-16(14)24)23(3)13-6-4-5-12(18)9-13/h4-6,9-11,25H,7-8H2,1-3H3,(H,19,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of yeast W303 Pho85 phosphorylation assessed as [32P] incorporation in histone H1 from [gamma32P]ATP by scintillation counting


Science 281: 533-538 (1998)


Article DOI: 10.1126/science.281.5376.533
BindingDB Entry DOI: 10.7270/Q28G8MMG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CAK1


(Saccharomyces cerevisiae)
BDBM50267719
PNG
(2-(6-((3-chlorophenyl)(methyl)amino)-9-isopropyl-9...)
Show SMILES CC(C)n1cnc2c(nc(NCCO)nc12)N(C)c1cccc(Cl)c1
Show InChI InChI=1S/C17H21ClN6O/c1-11(2)24-10-20-14-15(21-17(19-7-8-25)22-16(14)24)23(3)13-6-4-5-12(18)9-13/h4-6,9-11,25H,7-8H2,1-3H3,(H,19,21,22)
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of yeast W303 Cak1 phosphorylation assessed as [32P] incorporation in histone H1 from [gamma32P]ATP by scintillation counting


Science 281: 533-538 (1998)


Article DOI: 10.1126/science.281.5376.533
BindingDB Entry DOI: 10.7270/Q28G8MMG
More data for this
Ligand-Target Pair
Meiotic mRNA stability protein kinase SSN3


(Saccharomyces cerevisiae)
BDBM50267719
PNG
(2-(6-((3-chlorophenyl)(methyl)amino)-9-isopropyl-9...)
Show SMILES CC(C)n1cnc2c(nc(NCCO)nc12)N(C)c1cccc(Cl)c1
Show InChI InChI=1S/C17H21ClN6O/c1-11(2)24-10-20-14-15(21-17(19-7-8-25)22-16(14)24)23(3)13-6-4-5-12(18)9-13/h4-6,9-11,25H,7-8H2,1-3H3,(H,19,21,22)
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of yeast W303 Srb10 phosphorylation assessed as [32P] incorporation in histone H1 from [gamma32P]ATP by scintillation counting


Science 281: 533-538 (1998)


Article DOI: 10.1126/science.281.5376.533
BindingDB Entry DOI: 10.7270/Q28G8MMG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase KIN28


(Saccharomyces cerevisiae)
BDBM50267719
PNG
(2-(6-((3-chlorophenyl)(methyl)amino)-9-isopropyl-9...)
Show SMILES CC(C)n1cnc2c(nc(NCCO)nc12)N(C)c1cccc(Cl)c1
Show InChI InChI=1S/C17H21ClN6O/c1-11(2)24-10-20-14-15(21-17(19-7-8-25)22-16(14)24)23(3)13-6-4-5-12(18)9-13/h4-6,9-11,25H,7-8H2,1-3H3,(H,19,21,22)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of yeast W303 Kin28 phosphorylation assessed as [32P] incorporation in histone H1 from [gamma32P]ATP by scintillation counting


Science 281: 533-538 (1998)


Article DOI: 10.1126/science.281.5376.533
BindingDB Entry DOI: 10.7270/Q28G8MMG
More data for this
Ligand-Target Pair