Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-alpha' and Ligand = 'BDBM50098125'   

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))	BDBM50098125 (CHEMBL355195 | 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=CCCCCCOc1ccc2c(c1)oc(cc2=O)N1CCOCC1 |w:16.16,39.41,t:28| Show InChI InChI=1S/C47H62N4O12/c1-28-22-34-42(49-16-9-7-8-10-19-61-32-14-15-33-36(52)27-41(62-39(33)25-32)51-17-20-60-21-18-51)37(53)26-35(44(34)55)50-46(56)29(2)12-11-13-38(58-5)45(63-47(48)57)31(4)24-30(3)43(54)40(23-28)59-6/h11-16,24-28,30,38,40,43,45,53-55H,7-10,17-23H2,1-6H3,(H2,48,57)(H,50,56)/b13-11?,29-12?,31-24+,49-16?/t28-,30+,38+,40+,43-,45+/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	4.00E+3	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