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SMILES: CCc1ccc2nc(Nc3nc(COC)cc(=O)[nH]3)nc(C)c2c1

InChI Key: InChIKey=FOWJZSWMOQJOGI-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 4 hits for monomerid = 43799   
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, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM43799
PNG
(2-[(6-ethyl-4-methyl-2-quinazolinyl)amino]-6-(meth...)
Show SMILES CCc1ccc2nc(Nc3nc(COC)cc(=O)[nH]3)nc(C)c2c1
Show InChI InChI=1S/C17H19N5O2/c1-4-11-5-6-14-13(7-11)10(2)18-16(20-14)22-17-19-12(9-24-3)8-15(23)21-17/h5-8H,4,9H2,1-3H3,(H2,18,19,20,21,22,23)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 1.01E+4n/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 (2010)


BindingDB Entry DOI: 10.7270/Q20K26Z8
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM43799
PNG
(2-[(6-ethyl-4-methyl-2-quinazolinyl)amino]-6-(meth...)
Show SMILES CCc1ccc2nc(Nc3nc(COC)cc(=O)[nH]3)nc(C)c2c1
Show InChI InChI=1S/C17H19N5O2/c1-4-11-5-6-14-13(7-11)10(2)18-16(20-14)22-17-19-12(9-24-3)8-15(23)21-17/h5-8H,4,9H2,1-3H3,(H2,18,19,20,21,22,23)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.40E+4n/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/Q2N58JTN
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM43799
PNG
(2-[(6-ethyl-4-methyl-2-quinazolinyl)amino]-6-(meth...)
Show SMILES CCc1ccc2nc(Nc3nc(COC)cc(=O)[nH]3)nc(C)c2c1
Show InChI InChI=1S/C17H19N5O2/c1-4-11-5-6-14-13(7-11)10(2)18-16(20-14)22-17-19-12(9-24-3)8-15(23)21-17/h5-8H,4,9H2,1-3H3,(H2,18,19,20,21,22,23)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 1.24E+4n/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/Q26Q1VPD
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))
BDBM43799
PNG
(2-[(6-ethyl-4-methyl-2-quinazolinyl)amino]-6-(meth...)
Show SMILES CCc1ccc2nc(Nc3nc(COC)cc(=O)[nH]3)nc(C)c2c1
Show InChI InChI=1S/C17H19N5O2/c1-4-11-5-6-14-13(7-11)10(2)18-16(20-14)22-17-19-12(9-24-3)8-15(23)21-17/h5-8H,4,9H2,1-3H3,(H2,18,19,20,21,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>1.00E+5n/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