BDBM50345160 CHEMBL1779540

SMILES: CC(=O)N[C@H]1C[C@@H]2CNc3cc(ccc3C(N)=O)-n3c4CC(C)(C)CC(=O)c4c(C)c3CCCN2C1

InChI Key: InChIKey=HZDWFQUZDJXVGH-AZUAARDMSA-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 = 50345160   

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))	BDBM50345160 (CHEMBL1779540) Show SMILES CC(=O)N[C@H]1C[C@@H]2CNc3cc(ccc3C(N)=O)-n3c4CC(C)(C)CC(=O)c4c(C)c3CCCN2C1 |r| Show InChI InChI=1S/C28H37N5O3/c1-16-23-6-5-9-32-15-18(31-17(2)34)10-20(32)14-30-22-11-19(7-8-21(22)27(29)36)33(23)24-12-28(3,4)13-25(35)26(16)24/h7-8,11,18,20,30H,5-6,9-10,12-15H2,1-4H3,(H2,29,36)(H,31,34)/t18-,20+/m0/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	634	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 binding assay				Bioorg Med Chem Lett 21: 3627-31 (2011) Article DOI: 10.1016/j.bmcl.2011.04.102 BindingDB Entry DOI: 10.7270/Q2VX0GVP
					More data for this Ligand-Target Pair