BDBM152278 US8993556, N-[1-(4,4-Difluorocyclohexyl)piperidin-4-yl]-5-[2,4-dihydroxy-6-(4-nitrophenoxy)phenyl]isoxazole-3-carboxamide
SMILES: Oc1cc(O)c(-c2cc(no2)C(=O)NC2CCN(CC2)C2CCC(F)(F)CC2)c(Oc2ccc(cc2)[N+]([O-])=O)c1
InChI Key: InChIKey=IZPJDEVSLUINKO-UHFFFAOYSA-N
Data: 1 Kd
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Heat shock protein HSP 90-alpha (Homo sapiens (Human)) | BDBM152278 (US8993556, N-[1-(4,4-Difluorocyclohexyl)piperidin-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | n/a | n/a | n/a | 0.800 | n/a | n/a | n/a | 7.6 | n/a |
Nerviano Medical Sciences S.R.L. US Patent | Assay Description The evaluation of the binding affinity (KD) of the compounds of formula (I) to the HSP90 protein was done using Biacore T100.His-HSP90 N-term domain ... | US Patent US8993556 (2015) BindingDB Entry DOI: 10.7270/Q2Q81BSQ | |||||||||||
More data for this Ligand-Target Pair |