BDBM33239 thieno[2,3-d]pyrimidine, 34f

SMILES: CCNC(=O)c1cc2c(nc(N)nc2s1)-c1cc(OCCCN(C)C)c(Cl)cc1Cl

InChI Key: InChIKey=RGDGKLFZAZUSJF-UHFFFAOYSA-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 = 33239   

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))	BDBM33239 (thieno[2,3-d]pyrimidine, 34f) Show SMILES CCNC(=O)c1cc2c(nc(N)nc2s1)-c1cc(OCCCN(C)C)c(Cl)cc1Cl Show InChI InChI=1S/C20H23Cl2N5O2S/c1-4-24-18(28)16-9-12-17(25-20(23)26-19(12)30-16)11-8-15(14(22)10-13(11)21)29-7-5-6-27(2)3/h8-10H,4-7H2,1-3H3,(H,24,28)(H2,23,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	7.4	23
Vernalis (R&D) Ltd					Assay Description The assay is based upon displacement of a fluorescently labeled molecule, which binds specifically to the ATP-binding site of full-length human Hsp90...				J Med Chem 52: 4794-809 (2009) Article DOI: 10.1021/jm900357y BindingDB Entry DOI: 10.7270/Q2445JVZ
					More data for this Ligand-Target Pair