BDBM131784 US8835464, 2a

SMILES: CNc1nnc(-c2cc(C(C)C)c(O)cc2O)n1-c1ccc2n(C)ccc2c1

InChI Key: InChIKey=HMFFWDSYKQETMG-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 = 131784   

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-beta (Homo sapiens (Human))	BDBM131784 (US8835464, 2a) Show SMILES CNc1nnc(-c2cc(C(C)C)c(O)cc2O)n1-c1ccc2n(C)ccc2c1 Show InChI InChI=1S/C21H23N5O2/c1-12(2)15-10-16(19(28)11-18(15)27)20-23-24-21(22-3)26(20)14-5-6-17-13(9-14)7-8-25(17)4/h5-12,27-28H,1-4H3,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Synta Pharmaceuticals Corp. US Patent					Assay Description Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...				US Patent US8835464 (2014) BindingDB Entry DOI: 10.7270/Q2J38R7W
					More data for this Ligand-Target Pair