BDBM50340253 CHEMBL1760605

SMILES: CC1CNCCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(NC1)c2

InChI Key: InChIKey=CGRRWEHFMJJYJW-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 = 50340253   

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))	BDBM50340253 (CHEMBL1760605) Show SMILES CC1CNCCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(NC1)c2 Show InChI InChI=1S/C24H32N4O2/c1-14-12-26-8-7-19-15(2)22-20(10-24(3,4)11-21(22)29)28(19)16-5-6-17(23(25)30)18(9-16)27-13-14/h5-6,9,14,26-27H,7-8,10-13H2,1-4H3,(H2,25,30)	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	360	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of Hsp90alpha after 3 hrs by fluorescence polarization assay				Bioorg Med Chem Lett 21: 2278-82 (2011) Article DOI: 10.1016/j.bmcl.2011.02.101 BindingDB Entry DOI: 10.7270/Q2RF5VBN
					More data for this Ligand-Target Pair