BDBM81732 HSP90 Inhibitor, 6

SMILES: Cc1cc(CNS(=O)(=O)c2ccc(NC=C3CCOC3=O)cc2)nc(N)n1

InChI Key: InChIKey=QNOGYBUMMQYAII-UHFFFAOYSA-N

Data: 1 KI

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 = 81732   

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))	BDBM81732 (HSP90 Inhibitor, 6) Show SMILES Cc1cc(CNS(=O)(=O)c2ccc(NC=C3CCOC3=O)cc2)nc(N)n1 |w:14.13| Show InChI InChI=1S/C17H19N5O4S/c1-11-8-14(22-17(18)21-11)10-20-27(24,25)15-4-2-13(3-5-15)19-9-12-6-7-26-16(12)23/h2-5,8-9,19-20H,6-7,10H2,1H3,(H2,18,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.90E+3	-7.80	n/a	n/a	n/a	n/a	n/a	7.5	25
Abbott Laboratories					Assay Description HSP90 inhibitors identified using Fluorescence resonance energy transfer assay.				Chem Biol Drug Des 70: 1-12 (2007) Article DOI: 10.1111/j.1747-0285.2007.00535.x BindingDB Entry DOI: 10.7270/Q25X27DH
					More data for this Ligand-Target Pair