Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-alpha' and Ligand = 'BDBM50098122'   

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))	BDBM50098122 (CHEMBL424579 | Carbamic acid 13-hydroxy-8,14-dimet...) Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CCOCCOc1ccc2c(c1)oc(cc2=O)N1CCOCC1 |w:16.16,39.41,t:28| Show InChI InChI=1S/C45H58N4O13/c1-26-20-32-40(47-12-15-58-18-19-60-30-10-11-31-34(50)25-39(61-37(31)23-30)49-13-16-59-17-14-49)35(51)24-33(42(32)53)48-44(54)27(2)8-7-9-36(56-5)43(62-45(46)55)29(4)22-28(3)41(52)38(21-26)57-6/h7-12,22-26,28,36,38,41,43,51-53H,13-21H2,1-6H3,(H2,46,55)(H,48,54)/b9-7?,27-8?,29-22+,47-12?/t26-,28+,36+,38+,41-,43+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a
Department of Molecular Oncogenesis Curated by ChEMBL					Assay Description Competitive binding towards Heat shock protein HSP 90-alpha				Bioorg Med Chem Lett 11: 909-13 (2001) BindingDB Entry DOI: 10.7270/Q2NV9HJX
					More data for this Ligand-Target Pair