BDBM50249943 11-O-(Hydrzinocarbonyl)-17-[2-(dimethylamino)ethylamino]-17-demethyoxygeldanamycin::CHEMBL449164

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]1OC(O)=NN)cc(O)c2N=CCN(C)C

InChI Key: InChIKey=JMYIUACXUNBHLK-JQJXUBGGSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50249943   

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))	BDBM50249943 (11-O-(Hydrzinocarbonyl)-17-[2-(dimethylamino)ethyl...) 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]1OC(O)=NN)cc(O)c2N=CCN(C)C |r,w:17.16,14.14,36.37,42.43,t:28| Show InChI InChI=1S/C33H50N6O9/c1-18-14-22-27(36-12-13-39(5)6)24(40)17-23(28(22)41)37-31(42)19(2)10-9-11-25(45-7)29(47-32(34)43)20(3)16-21(4)30(26(15-18)46-8)48-33(44)38-35/h9-12,16-18,21,25-26,29-30,40-41H,13-15,35H2,1-8H3,(H2,34,43)(H,37,42)(H,38,44)/b11-9?,19-10?,20-16+,36-12?/t18-,21+,25+,26+,29+,30-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	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