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BDBM30027 BMCL181297 Compound 5A::cid_662965::triazolothiadiazine, 21

SMILES: COc1ccc(cc1OC)C1=Nn2c(SC1)nnc2-c1ccccc1OC

InChI Key: InChIKey=SMOWDUACKVMUAN-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 30027   
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
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM30027
PNG
(BMCL181297 Compound 5A | cid_662965 | triazolothia...)
Show SMILES COc1ccc(cc1OC)C1=Nn2c(SC1)nnc2-c1ccccc1OC
Show InChI InChI=1S/C19H18N4O3S/c1-24-15-7-5-4-6-13(15)18-20-21-19-23(18)22-14(11-27-19)12-8-9-16(25-2)17(10-12)26-3/h4-10H,11H2,1-3H3
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Article
PubMed
n/an/a 46n/an/an/an/a7.222



National Human Genome Research Institute



Assay Description
Inhibition of PDE4A was performed using IMAP technology (Molecular Devices, CA). PDE4A1A mixture was dispensed into 1536-well black/solid bottom assa...


Bioorg Med Chem Lett 19: 3686-92 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.057
BindingDB Entry DOI: 10.7270/Q2W37TNT
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM30027
PNG
(BMCL181297 Compound 5A | cid_662965 | triazolothia...)
Show SMILES COc1ccc(cc1OC)C1=Nn2c(SC1)nnc2-c1ccccc1OC
Show InChI InChI=1S/C19H18N4O3S/c1-24-15-7-5-4-6-13(15)18-20-21-19-23(18)22-14(11-27-19)12-8-9-16(25-2)17(10-12)26-3/h4-10H,11H2,1-3H3
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Article
PubMed
n/an/a 40n/an/an/an/a7.222



NIH



Assay Description
Inhibition of PDE4A was performed using IMAP technology (Molecular Devices, CA). PDE4A1A mixture was dispensed into 1536-well black/solid bottom assa...


Bioorg Med Chem Lett 18: 1297-303 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.028
BindingDB Entry DOI: 10.7270/Q2RB72ZX
More data for this
Ligand-Target Pair
Steroidogenic Factor 1


(Homo sapiens (human))
BDBM30027
PNG
(BMCL181297 Compound 5A | cid_662965 | triazolothia...)
Show SMILES COc1ccc(cc1OC)C1=Nn2c(SC1)nnc2-c1ccccc1OC
Show InChI InChI=1S/C19H18N4O3S/c1-24-15-7-5-4-6-13(15)18-20-21-19-23(18)22-14(11-27-19)12-8-9-16(25-2)17(10-12)26-3/h4-10H,11H2,1-3H3
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PCBioAssay
n/an/a>3.67E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2PR7TCX
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM30027
PNG
(BMCL181297 Compound 5A | cid_662965 | triazolothia...)
Show SMILES COc1ccc(cc1OC)C1=Nn2c(SC1)nnc2-c1ccccc1OC
Show InChI InChI=1S/C19H18N4O3S/c1-24-15-7-5-4-6-13(15)18-20-21-19-23(18)22-14(11-27-19)12-8-9-16(25-2)17(10-12)26-3/h4-10H,11H2,1-3H3
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PCBioAssay
n/an/a 9.01E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2TH8K3N
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM30027
PNG
(BMCL181297 Compound 5A | cid_662965 | triazolothia...)
Show SMILES COc1ccc(cc1OC)C1=Nn2c(SC1)nnc2-c1ccccc1OC
Show InChI InChI=1S/C19H18N4O3S/c1-24-15-7-5-4-6-13(15)18-20-21-19-23(18)22-14(11-27-19)12-8-9-16(25-2)17(10-12)26-3/h4-10H,11H2,1-3H3
NCI pathway
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PCBioAssay
n/an/a>5.53E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair