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
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human)) | BDBM30027 (BMCL181297 Compound 5A | cid_662965 | triazolothia...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 46 | n/a | n/a | n/a | n/a | 7.2 | 22 |
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 (BMCL181297 Compound 5A | cid_662965 | triazolothia...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 40 | n/a | n/a | n/a | n/a | 7.2 | 22 |
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 (BMCL181297 Compound 5A | cid_662965 | triazolothia...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | >3.67E+3 | n/a | n/a | n/a | n/a | n/a | n/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 (Human)) | BDBM30027 (BMCL181297 Compound 5A | cid_662965 | triazolothia...) | PDB MMDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | 9.01E+3 | n/a | n/a | n/a | n/a | n/a | n/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 (BMCL181297 Compound 5A | cid_662965 | triazolothia...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | >5.53E+3 | n/a | n/a | n/a | n/a | n/a | n/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 |