BDBM63039 2-[6-(4-chlorophenyl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(4-methyl-1,3-oxazol-2-yl)acetamide::2-[6-(4-chlorophenyl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(4-methyl-1,3-oxazol-2-yl)ethanamide::2-[[6-(4-chlorophenyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]thio]-N-(4-methyl-2-oxazolyl)acetamide::2-[[6-(4-chlorophenyl)-3-cyano-4-(trifluoromethyl)-2-pyridyl]thio]-N-(4-methyloxazol-2-yl)acetamide::2-{[6-(4-chlorophenyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]thio}-N-(4-methyl-1,3-oxazol-2-yl)acetamide::MLS000537027::SMR000143664::cid_1301870
SMILES: Cc1coc(NC(=O)CSc2nc(cc(c2C#N)C(F)(F)F)-c2ccc(Cl)cc2)n1
InChI Key: InChIKey=YLFDFLSUQXOFSR-UHFFFAOYSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Hsf1 protein (Mus musculus) | BDBM63039 (2-[6-(4-chlorophenyl)-3-cyano-4-(trifluoromethyl)p...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | >1.95E+5 | n/a | n/a | n/a | n/a |
Broad Institute Curated by PubChem BioAssay | Assay Description Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MW2FKX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bcl-2-like protein 11 (Homo sapiens (Human)) | BDBM63039 (2-[6-(4-chlorophenyl)-3-cyano-4-(trifluoromethyl)p...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | >3.50E+5 | n/a | n/a | n/a | n/a |
Broad Institute Curated by PubChem BioAssay | Assay Description Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q24J0CKJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
trace amine-associated receptor 1 (Homo sapiens (Human)) | BDBM63039 (2-[6-(4-chlorophenyl)-3-cyano-4-(trifluoromethyl)p...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 39.5 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2BR8QSB | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
G-protein subunit alpha-16 (Homo sapiens (Human)) | BDBM63039 (2-[6-(4-chlorophenyl)-3-cyano-4-(trifluoromethyl)p...) | UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >2.99E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2VQ3196 | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
G-protein subunit alpha-16 (Homo sapiens (Human)) | BDBM63039 (2-[6-(4-chlorophenyl)-3-cyano-4-(trifluoromethyl)p...) | UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | >2.99E+4 | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2M61HV2 | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
trace amine-associated receptor 1 (Homo sapiens (Human)) | BDBM63039 (2-[6-(4-chlorophenyl)-3-cyano-4-(trifluoromethyl)p...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | >2.99E+4 | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q20G3HS3 | ||||||||||||
More data for this Ligand-Target Pair |