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SMILES: COc1cc(C=Nn2c(n[nH]c2=S)-c2n[nH]c3CCCc23)ccc1O

InChI Key: InChIKey=LNFRBMQLTYTZIF-DNJWFFQKSA-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 6 hits for monomerid = 60611   
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
Serine/threonine-protein kinase 33


(Homo sapiens (Human))
BDBM60611
PNG
((4E)-2-methoxy-4-[[[3-(1,4,5,6-tetrahydrocyclopent...)
Show SMILES COc1cc(C=Nn2c(n[nH]c2=S)-c2n[nH]c3CCCc23)ccc1O |w:6.6|
Show InChI InChI=1S/C16H14N6O2S/c1-24-13-7-9(5-6-12(13)23)8-17-22-15(20-21-16(22)25)14-10-3-2-4-11(10)18-19-14/h5-8,23H,2-4H2,1H3/b15-14+,17-8?
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UniProtKB/SwissProt

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n/an/an/an/a 1.04E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: STK33 Kinase, Non-ATP Competitive Inhibitor Assay Overview: Purified STK33 Kinase is preincubated with potential inhibitors and allowed to ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2B27SRF
More data for this
Ligand-Target Pair
DNA dC->dU-editing enzyme APOBEC-3G


(Homo sapiens (Human))
BDBM60611
PNG
((4E)-2-methoxy-4-[[[3-(1,4,5,6-tetrahydrocyclopent...)
Show SMILES COc1cc(C=Nn2c(n[nH]c2=S)-c2n[nH]c3CCCc23)ccc1O |w:6.6|
Show InChI InChI=1S/C16H14N6O2S/c1-24-13-7-9(5-6-12(13)23)8-17-22-15(20-21-16(22)25)14-10-3-2-4-11(10)18-19-14/h5-8,23H,2-4H2,1H3/b15-14+,17-8?
PDB
MMDB

KEGG

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B.MOAD
antibodypedia
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n/an/a 1.56E+3n/an/an/an/an/a25



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/Q2HQ3XD6
More data for this
Ligand-Target Pair
DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM60611
PNG
((4E)-2-methoxy-4-[[[3-(1,4,5,6-tetrahydrocyclopent...)
Show SMILES COc1cc(C=Nn2c(n[nH]c2=S)-c2n[nH]c3CCCc23)ccc1O |w:6.6|
Show InChI InChI=1S/C16H14N6O2S/c1-24-13-7-9(5-6-12(13)23)8-17-22-15(20-21-16(22)25)14-10-3-2-4-11(10)18-19-14/h5-8,23H,2-4H2,1H3/b15-14+,17-8?
PDB

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n/an/a>9.90E+4n/an/an/an/an/a25



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/Q2Q52N7M
More data for this
Ligand-Target Pair
DNA dC->dU-editing enzyme APOBEC-3G


(Homo sapiens (Human))
BDBM60611
PNG
((4E)-2-methoxy-4-[[[3-(1,4,5,6-tetrahydrocyclopent...)
Show SMILES COc1cc(C=Nn2c(n[nH]c2=S)-c2n[nH]c3CCCc23)ccc1O |w:6.6|
Show InChI InChI=1S/C16H14N6O2S/c1-24-13-7-9(5-6-12(13)23)8-17-22-15(20-21-16(22)25)14-10-3-2-4-11(10)18-19-14/h5-8,23H,2-4H2,1H3/b15-14+,17-8?
PDB
MMDB

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n/an/a 732n/an/an/an/an/a25



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/Q2TX3CZM
More data for this
Ligand-Target Pair
DNA dC->dU-editing enzyme APOBEC-3G


(Homo sapiens (Human))
BDBM60611
PNG
((4E)-2-methoxy-4-[[[3-(1,4,5,6-tetrahydrocyclopent...)
Show SMILES COc1cc(C=Nn2c(n[nH]c2=S)-c2n[nH]c3CCCc23)ccc1O |w:6.6|
Show InChI InChI=1S/C16H14N6O2S/c1-24-13-7-9(5-6-12(13)23)8-17-22-15(20-21-16(22)25)14-10-3-2-4-11(10)18-19-14/h5-8,23H,2-4H2,1H3/b15-14+,17-8?
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 808n/an/an/an/an/a25



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/Q25H7DV5
More data for this
Ligand-Target Pair
DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM60611
PNG
((4E)-2-methoxy-4-[[[3-(1,4,5,6-tetrahydrocyclopent...)
Show SMILES COc1cc(C=Nn2c(n[nH]c2=S)-c2n[nH]c3CCCc23)ccc1O |w:6.6|
Show InChI InChI=1S/C16H14N6O2S/c1-24-13-7-9(5-6-12(13)23)8-17-22-15(20-21-16(22)25)14-10-3-2-4-11(10)18-19-14/h5-8,23H,2-4H2,1H3/b15-14+,17-8?
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a>1.00E+5n/an/an/an/an/a25



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/Q2CZ35ND
More data for this
Ligand-Target Pair