BDBM81730 HSP90 Inhibitor, 4

SMILES: Cc1cc(nc(N)n1)-c1ccc(Cl)cc1Cl

InChI Key: InChIKey=SVSRFLUHRBVOHK-UHFFFAOYSA-N

Data: 1 KI  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 2 hits for monomerid = 81730   

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))	BDBM81730 (HSP90 Inhibitor, 4) Show SMILES Cc1cc(nc(N)n1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C11H9Cl2N3/c1-6-4-10(16-11(14)15-6)8-3-2-7(12)5-9(8)13/h2-5H,1H3,(H2,14,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	170	-9.23	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
Heat Shock Protein 90 (Hsp90) (Homo sapiens (Human))	BDBM81730 (HSP90 Inhibitor, 4) Show SMILES Cc1cc(nc(N)n1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C11H9Cl2N3/c1-6-4-10(16-11(14)15-6)8-3-2-7(12)5-9(8)13/h2-5H,1H3,(H2,14,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of HSP90 in human H1299 cells assessed as degradation of Akt protein after 24 hrs by luminex assay				Bioorg Med Chem Lett 21: 3557-62 (2011) Article DOI: 10.1016/j.bmcl.2011.04.130 BindingDB Entry DOI: 10.7270/Q2H99820
					More data for this Ligand-Target Pair