BDBM50207422 CHEMBL3966260

SMILES: COc1c(C)cnc(Cn2cc(Cc3cccc(c3)C(F)(F)F)c3c(Cl)nc(N)nc23)c1C

InChI Key: InChIKey=LJCPUCNMPPBSIU-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 = 50207422   

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))	BDBM50207422 (CHEMBL3966260) Show SMILES COc1c(C)cnc(Cn2cc(Cc3cccc(c3)C(F)(F)F)c3c(Cl)nc(N)nc23)c1C Show InChI InChI=1S/C23H21ClF3N5O/c1-12-9-29-17(13(2)19(12)33-3)11-32-10-15(18-20(24)30-22(28)31-21(18)32)7-14-5-4-6-16(8-14)23(25,26)27/h4-6,8-10H,7,11H2,1-3H3,(H2,28,30,31)	PDB MMDB NCI pathway 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	8.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of FITC-labeled geldanamycin binding to human Hsp90alpha by fluorescence polarization assay				Bioorg Med Chem Lett 27: 237-241 (2017) Article DOI: 10.1016/j.bmcl.2016.11.062 BindingDB Entry DOI: 10.7270/Q28W3G91
					More data for this Ligand-Target Pair