Affinity Data by PDB ID

PDB code 2YI6

Found 1 hit Enzyme Inhibition Constant Data
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Heat shock protein HSP 90-alpha (229/229 = 100%)^† (Homo sapiens (Human))	BDBM50276627 (4-(5-(4-ethoxyphenyl)-1,2,3-thiadiazol-4-yl)-6-eth...) Show SMILES CCOc1ccc(cc1)-c1snnc1-c1cc(CC)c(O)cc1O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a
Fermentas UAB Curated by ChEMBL					Assay Description Binding affinity to human full length Histidine6-tagged Hsp90alpha expressed in Escherichia coli BL21 DE3 by ITC				Bioorg Med Chem Lett 19: 1089-92 (2009) Article DOI: 10.1016/j.bmcl.2009.01.003 BindingDB Entry DOI: 10.7270/Q27944KP
Fermentas UAB Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)

_* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
† Identities from BLAST output