BDBM50362234 CHEMBL1939371

SMILES: Cc1ccc2OCCCCOc3cccc(Sc4cc(nc(N)n4)-c1c2)c3

InChI Key: InChIKey=ZRQBUFWZLIUDMG-UHFFFAOYSA-N

Data: 1 Kd

PDB links: 1 PDB ID matches 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 = 50362234   

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-alpha (Homo sapiens (Human))	BDBM50362234 (CHEMBL1939371) Show SMILES Cc1ccc2OCCCCOc3cccc(Sc4cc(nc(N)n4)-c1c2)c3 Show InChI InChI=1S/C21H21N3O2S/c1-14-7-8-16-12-18(14)19-13-20(24-21(22)23-19)27-17-6-4-5-15(11-17)25-9-2-3-10-26-16/h4-8,11-13H,2-3,9-10H2,1H3,(H2,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Binding affinity to N-terminus biotinylated human Hsp90 alpha by surface plasmon resonance assay				Bioorg Med Chem Lett 22: 1136-41 (2012) Article DOI: 10.1016/j.bmcl.2011.11.100 BindingDB Entry DOI: 10.7270/Q2KH0NS7
					More data for this Ligand-Target Pair				3D Structure (crystal)