BDBM50386047 CHEMBL2042764

SMILES: CN(Cc1ccc(Cl)c(F)c1)C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O

InChI Key: InChIKey=VVMWPCREMJAYMB-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 = 50386047   

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))	BDBM50386047 (CHEMBL2042764) Show SMILES CN(Cc1ccc(Cl)c(F)c1)C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O Show InChI InChI=1S/C24H21ClFN3O2/c1-14-4-3-5-15(8-14)10-21-17-11-18(23(30)12-22(17)28-27-21)24(31)29(2)13-16-6-7-19(25)20(26)9-16/h3-9,11-12,30H,10,13H2,1-2H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	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