null

SMILES: CO\N=C1/[C@@H](C)\C=C(C)\[C@H](OC(N)=O)[C@@H](OC)C=CC=C(C)C(=O)Nc2cc(O)c(N=CCN(C)C)c(C[C@@H](C)C[C@@H]1OC)c2O

InChI Key: InChIKey=UKNKDQNEPDOJEE-XDQUJXRCSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50249938   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50249938 ((8S,9S,12S,14S,16R)-19-(2-(dimethylamino)ethylamin...) Show SMILES CO\N=C1/[C@@H](C)\C=C(C)\[C@H](OC(N)=O)[C@@H](OC)C=CC=C(C)C(=O)Nc2cc(O)c(N=CCN(C)C)c(C[C@@H](C)C[C@@H]1OC)c2O |r,w:18.18,20.20,30.29,c:6| Show InChI InChI=1S/C33H49N5O8/c1-19-15-23-29(35-13-14-38(5)6)25(39)18-24(30(23)40)36-32(41)20(2)11-10-12-26(43-7)31(46-33(34)42)22(4)17-21(3)28(37-45-9)27(16-19)44-8/h10-13,17-19,21,26-27,31,39-40H,14-16H2,1-9H3,(H2,34,42)(H,36,41)/b12-10?,20-11?,22-17+,35-13?,37-28+/t19-,21+,26+,27+,31+/m1/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+5	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