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BDBM82815 (3-amino-7-methoxy-1-pyrazolo[3,4-b]quinolinyl)-(3-fluorophenyl)methanone::(3-amino-7-methoxy-pyrazolo[3,4-b]quinolin-1-yl)-(3-fluorophenyl)methanone::(3-amino-7-methoxypyrazolo[3,4-b]quinolin-1-yl)-(3-fluorophenyl)methanone::(3-azanyl-7-methoxy-pyrazolo[3,4-b]quinolin-1-yl)-(3-fluorophenyl)methanone::1-(3-fluorobenzoyl)-7-methoxy-1H-pyrazolo[3,4-b]quinolin-3-amine::MLS000731294::SMR000309569::cid_16195356

SMILES: COc1ccc2cc3c(N)nn(C(=O)c4cccc(F)c4)c3nc2c1

InChI Key: InChIKey=CXHZJRFIQCUFSQ-UHFFFAOYSA-N

Data: 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 6 hits for monomerid = 82815   
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
carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 isoform 1


(Homo sapiens (Human))
BDBM82815
PNG
((3-amino-7-methoxy-1-pyrazolo[3,4-b]quinolinyl)-(3...)
Show SMILES COc1ccc2cc3c(N)nn(C(=O)c4cccc(F)c4)c3nc2c1
Show InChI InChI=1S/C18H13FN4O2/c1-25-13-6-5-10-8-14-16(20)22-23(17(14)21-15(10)9-13)18(24)11-3-2-4-12(19)7-11/h2-9H,1H3,(H2,20,22)
PDB
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KEGG

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B.MOAD
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UniChem

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PCBioAssay
n/an/a 8.49E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2V986KM
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 5 isoform a


(Homo sapiens (Human))
BDBM82815
PNG
((3-amino-7-methoxy-1-pyrazolo[3,4-b]quinolinyl)-(3...)
Show SMILES COc1ccc2cc3c(N)nn(C(=O)c4cccc(F)c4)c3nc2c1
Show InChI InChI=1S/C18H13FN4O2/c1-25-13-6-5-10-8-14-16(20)22-23(17(14)21-15(10)9-13)18(24)11-3-2-4-12(19)7-11/h2-9H,1H3,(H2,20,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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UniChem

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PCBioAssay
n/an/a 1.69E+4n/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 (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HGT
More data for this
Ligand-Target Pair
Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP


(Homo sapiens (Human))
BDBM82815
PNG
((3-amino-7-methoxy-1-pyrazolo[3,4-b]quinolinyl)-(3...)
Show SMILES COc1ccc2cc3c(N)nn(C(=O)c4cccc(F)c4)c3nc2c1
Show InChI InChI=1S/C18H13FN4O2/c1-25-13-6-5-10-8-14-16(20)22-23(17(14)21-15(10)9-13)18(24)11-3-2-4-12(19)7-11/h2-9H,1H3,(H2,20,22)
PDB

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n/an/a 6.02E+4n/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 (2012)


BindingDB Entry DOI: 10.7270/Q2FQ9V6B
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM82815
PNG
((3-amino-7-methoxy-1-pyrazolo[3,4-b]quinolinyl)-(3...)
Show SMILES COc1ccc2cc3c(N)nn(C(=O)c4cccc(F)c4)c3nc2c1
Show InChI InChI=1S/C18H13FN4O2/c1-25-13-6-5-10-8-14-16(20)22-23(17(14)21-15(10)9-13)18(24)11-3-2-4-12(19)7-11/h2-9H,1H3,(H2,20,22)
PDB
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NCI pathway
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n/an/a 5.27E+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 (2012)


BindingDB Entry DOI: 10.7270/Q2T43RPN
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 5 isoform a


(Homo sapiens (Human))
BDBM82815
PNG
((3-amino-7-methoxy-1-pyrazolo[3,4-b]quinolinyl)-(3...)
Show SMILES COc1ccc2cc3c(N)nn(C(=O)c4cccc(F)c4)c3nc2c1
Show InChI InChI=1S/C18H13FN4O2/c1-25-13-6-5-10-8-14-16(20)22-23(17(14)21-15(10)9-13)18(24)11-3-2-4-12(19)7-11/h2-9H,1H3,(H2,20,22)
PDB
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KEGG

UniProtKB/SwissProt

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n/an/a>8.00E+4n/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 (2012)


BindingDB Entry DOI: 10.7270/Q2KH0KWR
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM82815
PNG
((3-amino-7-methoxy-1-pyrazolo[3,4-b]quinolinyl)-(3...)
Show SMILES COc1ccc2cc3c(N)nn(C(=O)c4cccc(F)c4)c3nc2c1
Show InChI InChI=1S/C18H13FN4O2/c1-25-13-6-5-10-8-14-16(20)22-23(17(14)21-15(10)9-13)18(24)11-3-2-4-12(19)7-11/h2-9H,1H3,(H2,20,22)
PDB
MMDB

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KEGG

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UniChem

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n/an/a 4.31E+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 (2012)


BindingDB Entry DOI: 10.7270/Q2959G44
More data for this
Ligand-Target Pair