Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-beta' and Ligand = 'BDBM50249925'   

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-beta (Homo sapiens (Human))	BDBM50249925 ((8S,9S,12S,13R,14S,16R)-9-(carbamoyloxy)-8,14,19-t...) Show SMILES CO[C@H]1CC(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]1OC(=O)CCCN)cc(O)c2OC |r,w:17.16,14.14,6.6,t:28| Show InChI InChI=1S/C33H47N3O10/c1-18-14-22-28(39)23(17-24(37)31(22)44-7)36-32(40)19(2)10-8-11-25(42-5)29(46-33(35)41)20(3)16-21(4)30(26(15-18)43-6)45-27(38)12-9-13-34/h8,10-11,14,16-17,21,25-26,29-30,37,39H,9,12-13,15,34H2,1-7H3,(H2,35,41)(H,36,40)/b11-8?,18-14?,19-10?,20-16+/t21-,25-,26-,29-,30+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a
Kosan Biosciences, Inc. Curated by ChEMBL					Assay Description Binding affinity to human recombinant HSP90				J Med Chem 52: 3265-73 (2009) Article DOI: 10.1021/jm900098v BindingDB Entry DOI: 10.7270/Q2V40W5R
					More data for this Ligand-Target Pair