BDBM33229 thieno[2,3-d]pyrimidine, 21a

SMILES: CCNC(=O)c1cc2c(nc(N)nc2s1)-c1ccccc1

InChI Key: InChIKey=LHJVNLIKNRRSMN-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 2 PDB IDs contain this monomer as substructures. 2 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

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 = 33229   

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))	BDBM33229 (thieno[2,3-d]pyrimidine, 21a) Show SMILES CCNC(=O)c1cc2c(nc(N)nc2s1)-c1ccccc1 Show InChI InChI=1S/C15H14N4OS/c1-2-17-13(20)11-8-10-12(9-6-4-3-5-7-9)18-15(16)19-14(10)21-11/h3-8H,2H2,1H3,(H,17,20)(H2,16,18,19)	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	5.70E+3	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