BDBM50249860 11-O-methylgeldanamycin::CHEMBL492811

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)cc(O)c2OC

InChI Key: InChIKey=BQQKGRXUUCYIJI-CMWFMRADSA-N

Data: 1 Kd

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50249860   

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))	BDBM50249860 (11-O-methylgeldanamycin | CHEMBL492811) 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)cc(O)c2OC |r,w:17.16,14.14,6.6,t:28| Show InChI InChI=1S/C30H42N2O9/c1-16-12-20-25(34)21(15-22(33)28(20)40-8)32-29(35)17(2)10-9-11-23(37-5)27(41-30(31)36)19(4)14-18(3)26(39-7)24(13-16)38-6/h9-12,14-15,18,23-24,26-27,33-34H,13H2,1-8H3,(H2,31,36)(H,32,35)/b11-9?,16-12?,17-10?,19-14+/t18-,23-,24-,26+,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	490	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