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SMILES: COc1ccc(CN=Nc2cc(C)nc(n2)-n2nc(C)cc2C)c(OC)c1

InChI Key: InChIKey=QEUNOEBVGBOECA-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 5 hits for monomerid = 57567   
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
Streptokinase A


(Streptococcus pyogenes M1 GAS)
BDBM57567
PNG
(MLS000589396 | N-[(2,4-dimethoxyphenyl)methylidene...)
Show SMILES COc1ccc(CN=Nc2cc(C)nc(n2)-n2nc(C)cc2C)c(OC)c1 |w:8.8|
Show InChI InChI=1S/C19H22N6O2/c1-12-9-18(22-19(21-12)25-14(3)8-13(2)24-25)23-20-11-15-6-7-16(26-4)10-17(15)27-5/h6-10H,11H2,1-5H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2736PBV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM57567
PNG
(MLS000589396 | N-[(2,4-dimethoxyphenyl)methylidene...)
Show SMILES COc1ccc(CN=Nc2cc(C)nc(n2)-n2nc(C)cc2C)c(OC)c1 |w:8.8|
Show InChI InChI=1S/C19H22N6O2/c1-12-9-18(22-19(21-12)25-14(3)8-13(2)24-25)23-20-11-15-6-7-16(26-4)10-17(15)27-5/h6-10H,11H2,1-5H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PCBioAssay
n/an/a 6.68E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2QN656Q
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))
BDBM57567
PNG
(MLS000589396 | N-[(2,4-dimethoxyphenyl)methylidene...)
Show SMILES COc1ccc(CN=Nc2cc(C)nc(n2)-n2nc(C)cc2C)c(OC)c1 |w:8.8|
Show InChI InChI=1S/C19H22N6O2/c1-12-9-18(22-19(21-12)25-14(3)8-13(2)24-25)23-20-11-15-6-7-16(26-4)10-17(15)27-5/h6-10H,11H2,1-5H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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UniChem

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PCBioAssay
n/an/a 3.51E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2CJ8BXT
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM57567
PNG
(MLS000589396 | N-[(2,4-dimethoxyphenyl)methylidene...)
Show SMILES COc1ccc(CN=Nc2cc(C)nc(n2)-n2nc(C)cc2C)c(OC)c1 |w:8.8|
Show InChI InChI=1S/C19H22N6O2/c1-12-9-18(22-19(21-12)25-14(3)8-13(2)24-25)23-20-11-15-6-7-16(26-4)10-17(15)27-5/h6-10H,11H2,1-5H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
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UniChem

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PCBioAssay
n/an/a>4.00E+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- Sanford-Burnham Medical Research Institute(SBMRI, San...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MK6BBZ
More data for this
Ligand-Target Pair
Trans-activator protein BZLF1


(Human herpesvirus 4)
BDBM57567
PNG
(MLS000589396 | N-[(2,4-dimethoxyphenyl)methylidene...)
Show SMILES COc1ccc(CN=Nc2cc(C)nc(n2)-n2nc(C)cc2C)c(OC)c1 |w:8.8|
Show InChI InChI=1S/C19H22N6O2/c1-12-9-18(22-19(21-12)25-14(3)8-13(2)24-25)23-20-11-15-6-7-16(26-4)10-17(15)27-5/h6-10H,11H2,1-5H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>6.70E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2BC3X0T
More data for this
Ligand-Target Pair