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SMILES: Cc1cc(C)nc(SCC(=O)c2ccc(O)c(O)c2)n1

InChI Key: InChIKey=JQXFBAGVXOGSNK-UHFFFAOYSA-N

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 9 hits for monomerid = 50309564   
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
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))
BDBM50309564
PNG
(1-(3,4-dihydroxyphenyl)-2-(4,6-dimethylpyrimidin-2...)
Show SMILES Cc1cc(C)nc(SCC(=O)c2ccc(O)c(O)c2)n1
Show InChI InChI=1S/C14H14N2O3S/c1-8-5-9(2)16-14(15-8)20-7-13(19)10-3-4-11(17)12(18)6-10/h3-6,17-18H,7H2,1-2H3
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MMDB

KEGG

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PCBioAssay
n/an/a 4.95E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2JQ0ZDS
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM50309564
PNG
(1-(3,4-dihydroxyphenyl)-2-(4,6-dimethylpyrimidin-2...)
Show SMILES Cc1cc(C)nc(SCC(=O)c2ccc(O)c(O)c2)n1
Show InChI InChI=1S/C14H14N2O3S/c1-8-5-9(2)16-14(15-8)20-7-13(19)10-3-4-11(17)12(18)6-10/h3-6,17-18H,7H2,1-2H3
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n/an/a 8.61E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CR5RRG
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM50309564
PNG
(1-(3,4-dihydroxyphenyl)-2-(4,6-dimethylpyrimidin-2...)
Show SMILES Cc1cc(C)nc(SCC(=O)c2ccc(O)c(O)c2)n1
Show InChI InChI=1S/C14H14N2O3S/c1-8-5-9(2)16-14(15-8)20-7-13(19)10-3-4-11(17)12(18)6-10/h3-6,17-18H,7H2,1-2H3
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n/an/a 5.76E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CR5RRG
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))
BDBM50309564
PNG
(1-(3,4-dihydroxyphenyl)-2-(4,6-dimethylpyrimidin-2...)
Show SMILES Cc1cc(C)nc(SCC(=O)c2ccc(O)c(O)c2)n1
Show InChI InChI=1S/C14H14N2O3S/c1-8-5-9(2)16-14(15-8)20-7-13(19)10-3-4-11(17)12(18)6-10/h3-6,17-18H,7H2,1-2H3
PDB
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KEGG

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n/an/a 2.49E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q29S1PG8
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))
BDBM50309564
PNG
(1-(3,4-dihydroxyphenyl)-2-(4,6-dimethylpyrimidin-2...)
Show SMILES Cc1cc(C)nc(SCC(=O)c2ccc(O)c(O)c2)n1
Show InChI InChI=1S/C14H14N2O3S/c1-8-5-9(2)16-14(15-8)20-7-13(19)10-3-4-11(17)12(18)6-10/h3-6,17-18H,7H2,1-2H3
PDB
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KEGG

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PC cid
PC sid
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Article
PubMed
n/an/a 600n/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Inhibition of GCAP by analogous luminescence assay


Bioorg Med Chem 18: 573-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.012
BindingDB Entry DOI: 10.7270/Q24T6JHR
More data for this
Ligand-Target Pair
Phospholipase A-2-activating protein


(Homo sapiens (Human))
BDBM50309564
PNG
(1-(3,4-dihydroxyphenyl)-2-(4,6-dimethylpyrimidin-2...)
Show SMILES Cc1cc(C)nc(SCC(=O)c2ccc(O)c(O)c2)n1
Show InChI InChI=1S/C14H14N2O3S/c1-8-5-9(2)16-14(15-8)20-7-13(19)10-3-4-11(17)12(18)6-10/h3-6,17-18H,7H2,1-2H3
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Article
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLAP by analogous luminescence assay


Bioorg Med Chem 18: 573-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.012
BindingDB Entry DOI: 10.7270/Q24T6JHR
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM50309564
PNG
(1-(3,4-dihydroxyphenyl)-2-(4,6-dimethylpyrimidin-2...)
Show SMILES Cc1cc(C)nc(SCC(=O)c2ccc(O)c(O)c2)n1
Show InChI InChI=1S/C14H14N2O3S/c1-8-5-9(2)16-14(15-8)20-7-13(19)10-3-4-11(17)12(18)6-10/h3-6,17-18H,7H2,1-2H3
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Article
PubMed
n/an/a 8.60E+3n/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TNAP by analogous luminescence assay


Bioorg Med Chem 18: 573-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.012
BindingDB Entry DOI: 10.7270/Q24T6JHR
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Homo sapiens (Human))
BDBM50309564
PNG
(1-(3,4-dihydroxyphenyl)-2-(4,6-dimethylpyrimidin-2...)
Show SMILES Cc1cc(C)nc(SCC(=O)c2ccc(O)c(O)c2)n1
Show InChI InChI=1S/C14H14N2O3S/c1-8-5-9(2)16-14(15-8)20-7-13(19)10-3-4-11(17)12(18)6-10/h3-6,17-18H,7H2,1-2H3
PDB
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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 4.95E+4n/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Inhibition of IAP by analogous luminescence assay


Bioorg Med Chem 18: 573-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.012
BindingDB Entry DOI: 10.7270/Q24T6JHR
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))
BDBM50309564
PNG
(1-(3,4-dihydroxyphenyl)-2-(4,6-dimethylpyrimidin-2...)
Show SMILES Cc1cc(C)nc(SCC(=O)c2ccc(O)c(O)c2)n1
Show InChI InChI=1S/C14H14N2O3S/c1-8-5-9(2)16-14(15-8)20-7-13(19)10-3-4-11(17)12(18)6-10/h3-6,17-18H,7H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 1.21E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q29S1PG8
More data for this
Ligand-Target Pair