BDBM50386034 CHEMBL2042873

SMILES: CCc1cccc(Cc2n[nH]c3cc(O)c(cc23)C(=O)N(C)Cc2ccccc2)c1

InChI Key: InChIKey=BXXBBGHTMKJYKE-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 = 50386034   

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))	BDBM50386034 (CHEMBL2042873) Show SMILES CCc1cccc(Cc2n[nH]c3cc(O)c(cc23)C(=O)N(C)Cc2ccccc2)c1 Show InChI InChI=1S/C25H25N3O2/c1-3-17-10-7-11-19(12-17)13-22-20-14-21(24(29)15-23(20)27-26-22)25(30)28(2)16-18-8-5-4-6-9-18/h4-12,14-15,29H,3,13,16H2,1-2H3,(H,26,27)	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	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono Research Curated by ChEMBL					Assay Description Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting				Bioorg Med Chem Lett 22: 4396-403 (2012) Article DOI: 10.1016/j.bmcl.2012.04.121 BindingDB Entry DOI: 10.7270/Q2T154QC
					More data for this Ligand-Target Pair