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BDBM50013698 8-Phenyl-9H-purine-2,6-diamine::CHEMBL66077

SMILES: Nc1nc(N)c2[nH]c(nc2n1)-c1ccccc1

InChI Key: InChIKey=WGJICLLGFIVHNE-UHFFFAOYSA-N

Data: 1 KI  6 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 7 hits for monomerid = 50013698   
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
Phosphatidylinositol 4-kinase type 2-alpha


(Homo sapiens (Human))
BDBM50013698
PNG
(8-Phenyl-9H-purine-2,6-diamine | CHEMBL66077)
Show SMILES Nc1nc(N)c2[nH]c(nc2n1)-c1ccccc1
Show InChI InChI=1S/C11H10N6/c12-8-7-10(17-11(13)15-8)16-9(14-7)6-4-2-1-3-5-6/h1-5H,(H5,12,13,14,15,16,17)
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PubMed
1.38E+5n/an/an/an/an/an/an/an/a



Smith Kline& French Research Limited

Curated by ChEMBL


Assay Description
Binding affinity (Ki) against human phosphatidylinositol 4-kinase


J Med Chem 33: 2073-80 (1990)


Article DOI: 10.1021/jm00170a005
BindingDB Entry DOI: 10.7270/Q25T3NQV
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50013698
PNG
(8-Phenyl-9H-purine-2,6-diamine | CHEMBL66077)
Show SMILES Nc1nc(N)c2[nH]c(nc2n1)-c1ccccc1
Show InChI InChI=1S/C11H10N6/c12-8-7-10(17-11(13)15-8)16-9(14-7)6-4-2-1-3-5-6/h1-5H,(H5,12,13,14,15,16,17)
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MMDB

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PubMed
n/an/a 1.53E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of Pneumocystis carinii dihydrofolate reductase


J Med Chem 40: 3032-9 (1997)


Article DOI: 10.1021/jm970271t
BindingDB Entry DOI: 10.7270/Q2GX49PG
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50013698
PNG
(8-Phenyl-9H-purine-2,6-diamine | CHEMBL66077)
Show SMILES Nc1nc(N)c2[nH]c(nc2n1)-c1ccccc1
Show InChI InChI=1S/C11H10N6/c12-8-7-10(17-11(13)15-8)16-9(14-7)6-4-2-1-3-5-6/h1-5H,(H5,12,13,14,15,16,17)
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n/an/a 5.99E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of rat liver dihydrofolate reductase


J Med Chem 40: 3032-9 (1997)


Article DOI: 10.1021/jm970271t
BindingDB Entry DOI: 10.7270/Q2GX49PG
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50013698
PNG
(8-Phenyl-9H-purine-2,6-diamine | CHEMBL66077)
Show SMILES Nc1nc(N)c2[nH]c(nc2n1)-c1ccccc1
Show InChI InChI=1S/C11H10N6/c12-8-7-10(17-11(13)15-8)16-9(14-7)6-4-2-1-3-5-6/h1-5H,(H5,12,13,14,15,16,17)
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PubMed
n/an/a 5.99E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of rat liver DHFR by spectrophotometric assay


Bioorg Med Chem 18: 1684-701 (2010)


Article DOI: 10.1016/j.bmc.2009.12.066
BindingDB Entry DOI: 10.7270/Q2668D9K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase type 2-alpha


(Homo sapiens (Human))
BDBM50013698
PNG
(8-Phenyl-9H-purine-2,6-diamine | CHEMBL66077)
Show SMILES Nc1nc(N)c2[nH]c(nc2n1)-c1ccccc1
Show InChI InChI=1S/C11H10N6/c12-8-7-10(17-11(13)15-8)16-9(14-7)6-4-2-1-3-5-6/h1-5H,(H5,12,13,14,15,16,17)
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PubMed
n/an/a 2.00E+5n/an/an/an/an/an/a



Smith Kline& French Research Limited

Curated by ChEMBL


Assay Description
Inhibitory activity (IC50) against human phosphatidylinositol 4-kinase at the ATP binding site


J Med Chem 33: 2073-80 (1990)


Article DOI: 10.1021/jm00170a005
BindingDB Entry DOI: 10.7270/Q25T3NQV
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50013698
PNG
(8-Phenyl-9H-purine-2,6-diamine | CHEMBL66077)
Show SMILES Nc1nc(N)c2[nH]c(nc2n1)-c1ccccc1
Show InChI InChI=1S/C11H10N6/c12-8-7-10(17-11(13)15-8)16-9(14-7)6-4-2-1-3-5-6/h1-5H,(H5,12,13,14,15,16,17)
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 2.80E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii dihydrofolate reductase


J Med Chem 40: 3032-9 (1997)


Article DOI: 10.1021/jm970271t
BindingDB Entry DOI: 10.7270/Q2GX49PG
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50013698
PNG
(8-Phenyl-9H-purine-2,6-diamine | CHEMBL66077)
Show SMILES Nc1nc(N)c2[nH]c(nc2n1)-c1ccccc1
Show InChI InChI=1S/C11H10N6/c12-8-7-10(17-11(13)15-8)16-9(14-7)6-4-2-1-3-5-6/h1-5H,(H5,12,13,14,15,16,17)
PDB

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 2.80E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii DHFR by spectrophotometric assay


Bioorg Med Chem 18: 1684-701 (2010)


Article DOI: 10.1016/j.bmc.2009.12.066
BindingDB Entry DOI: 10.7270/Q2668D9K
More data for this
Ligand-Target Pair