BDBM50349047 CHEMBL1807807

SMILES: C[C@@H]1CN(CCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N[C@H]1C)c2)C(=O)C(C)(C)N

InChI Key: InChIKey=RXKNSFZSSAIGRV-AEFFLSMTSA-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 = 50349047   

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))	BDBM50349047 (CHEMBL1807807) Show SMILES C[C@@H]1CN(CCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N[C@H]1C)c2)C(=O)C(C)(C)N |r| Show InChI InChI=1S/C29H41N5O3/c1-16-15-33(27(37)29(6,7)31)11-10-22-17(2)25-23(13-28(4,5)14-24(25)35)34(22)19-8-9-20(26(30)36)21(12-19)32-18(16)3/h8-9,12,16,18,32H,10-11,13-15,31H2,1-7H3,(H2,30,36)/t16-,18+/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	60	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