BDBM50349032 CHEMBL1807791

SMILES: C[C@@H]1CNCCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N[C@H]1C)c2

InChI Key: InChIKey=BDFNVHFLLPLTRV-ZBFHGGJFSA-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 = 50349032   

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))	BDBM50349032 (CHEMBL1807791) Show SMILES C[C@@H]1CNCCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N[C@H]1C)c2 |r| Show InChI InChI=1S/C25H34N4O2/c1-14-13-27-9-8-20-15(2)23-21(11-25(4,5)12-22(23)30)29(20)17-6-7-18(24(26)31)19(10-17)28-16(14)3/h6-7,10,14,16,27-28H,8-9,11-13H2,1-5H3,(H2,26,31)/t14-,16+/m1/s1	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	64	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to HSP90alpha after 3 hrs by fluorescence polarization assay				Bioorg Med Chem Lett 21: 4602-7 (2011) Article DOI: 10.1016/j.bmcl.2011.05.102 BindingDB Entry DOI: 10.7270/Q2833SD5
					More data for this Ligand-Target Pair