BDBM119133 (S)-4-(4-(Benzofuran-5-yl)phenyl)-3-((1-(cyclopropanecarbonyl)pyrrolidin-3-yl)methyl)-1H-1,2,4-triazol-5(4H)-one::GSK2194069 (2)::US8802864, 1
SMILES: O=C(C1CC1)N1CC[C@@H](Cc2n[nH]c(=O)n2-c2ccc(cc2)-c2ccc3occc3c2)C1
InChI Key: InChIKey=AQTPWCUIYUOEMG-INIZCTEOSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Fatty acid synthase (Homo sapiens (Human)) | BDBM119133 ((S)-4-(4-(Benzofuran-5-yl)phenyl)-3-((1-(cycloprop...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem Similars | PDB US Patent | n/a | n/a | 10 | n/a | n/a | n/a | n/a | 7.0 | n/a |
GlaxoSmithKline LLC US Patent | Assay Description Assay #1:Inhibition of FAS activity can be measured based on the detection of residual NADPH substrate after the FAS assay is quenched. This assay is... | US Patent US8802864 (2014) BindingDB Entry DOI: 10.7270/Q2N58K26 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Fatty acid synthase (Homo sapiens (Human)) | BDBM119133 ((S)-4-(4-(Benzofuran-5-yl)phenyl)-3-((1-(cycloprop...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 7.70 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline | Assay Description Inhibition of FAS by GSK2194069 was measured by an endpoint assay for thiols using a fluorescent maleimide. | Nat Chem Biol 10: 774-9 (2014) Article DOI: 10.1038/nchembio.1603 BindingDB Entry DOI: 10.7270/Q2FJ2FGK | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |