Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-alpha' and Ligand = 'BDBM152283'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM152283 (US8993556, 5-{2-[4-(Dimethylamino)phenoxy]-4,6-dih...) Show SMILES CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(CC2)C2CCC3(CC2)OCCCO3)cc1 Show InChI InChI=1S/C32H40N4O7/c1-35(2)22-4-6-25(7-5-22)42-28-19-24(37)18-27(38)30(28)29-20-26(34-43-29)31(39)33-21-10-14-36(15-11-21)23-8-12-32(13-9-23)40-16-3-17-41-32/h4-7,18-21,23,37-38H,3,8-17H2,1-2H3,(H,33,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	0.0790	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
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