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BDBM7512 2,6,9-Trisubstituted purine deriv. 7::2-({6-[methyl(prop-2-en-1-yl)amino]-9-(propan-2-yl)-9H-purin-2-yl}amino)ethan-1-ol::CHEMBL336176

SMILES: CC(C)n1cnc2c(nc(NCCO)nc12)N(C)CC=C

InChI Key: InChIKey=SMIYJFXDXQQMIX-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 7512   
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
Cyclin-Dependent Kinase 1 (CDK1)


(Marthasterias glacialis (starfish))
BDBM7512
PNG
(2,6,9-Trisubstituted purine deriv. 7 | 2-({6-[meth...)
Show SMILES CC(C)n1cnc2c(nc(NCCO)nc12)N(C)CC=C
Show InChI InChI=1S/C14H22N6O/c1-5-7-19(4)12-11-13(20(9-16-11)10(2)3)18-14(17-12)15-6-8-21/h5,9-10,21H,1,6-8H2,2-4H3,(H,15,17,18)
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+5n/an/an/an/an/a30



Institut Curie



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


Bioorg Med Chem 7: 1281-93 (1999)


Article DOI: 10.1016/S0968-0896(99)00064-4
BindingDB Entry DOI: 10.7270/Q23776X6
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM7512
PNG
(2,6,9-Trisubstituted purine deriv. 7 | 2-({6-[meth...)
Show SMILES CC(C)n1cnc2c(nc(NCCO)nc12)N(C)CC=C
Show InChI InChI=1S/C14H22N6O/c1-5-7-19(4)12-11-13(20(9-16-11)10(2)3)18-14(17-12)15-6-8-21/h5,9-10,21H,1,6-8H2,2-4H3,(H,15,17,18)
PDB
MMDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Institut Curie

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against cyclin-dependent kinase 5


J Med Chem 43: 4098-108 (2000)


Article DOI: 10.1021/jm000965t
BindingDB Entry DOI: 10.7270/Q24B321Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM7512
PNG
(2,6,9-Trisubstituted purine deriv. 7 | 2-({6-[meth...)
Show SMILES CC(C)n1cnc2c(nc(NCCO)nc12)N(C)CC=C
Show InChI InChI=1S/C14H22N6O/c1-5-7-19(4)12-11-13(20(9-16-11)10(2)3)18-14(17-12)15-6-8-21/h5,9-10,21H,1,6-8H2,2-4H3,(H,15,17,18)
PDB

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KEGG

UniProtKB/SwissProt

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GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+5n/an/an/an/an/an/a



Institut Curie

Curated by ChEMBL


Assay Description
Inhibition of Cyclin-dependent kinase 1 (CDK1)


J Med Chem 43: 4098-108 (2000)


Article DOI: 10.1021/jm000965t
BindingDB Entry DOI: 10.7270/Q24B321Q
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM7512
PNG
(2,6,9-Trisubstituted purine deriv. 7 | 2-({6-[meth...)
Show SMILES CC(C)n1cnc2c(nc(NCCO)nc12)N(C)CC=C
Show InChI InChI=1S/C14H22N6O/c1-5-7-19(4)12-11-13(20(9-16-11)10(2)3)18-14(17-12)15-6-8-21/h5,9-10,21H,1,6-8H2,2-4H3,(H,15,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/a30



Institut Curie



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


Bioorg Med Chem 7: 1281-93 (1999)


Article DOI: 10.1016/S0968-0896(99)00064-4
BindingDB Entry DOI: 10.7270/Q23776X6
More data for this
Ligand-Target Pair