BDBM50340246 CHEMBL1760599

SMILES: Cc1c2CCNCCNc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12

InChI Key: InChIKey=ONSZXRWGRDRNEL-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 = 50340246   

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))	BDBM50340246 (CHEMBL1760599) Show SMILES Cc1c2CCNCCNc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12 Show InChI InChI=1S/C22H28N4O2/c1-13-17-6-7-24-8-9-25-16-10-14(4-5-15(16)21(23)28)26(17)18-11-22(2,3)12-19(27)20(13)18/h4-5,10,24-25H,6-9,11-12H2,1-3H3,(H2,23,28)	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	1.24E+4	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 assay				Bioorg Med Chem Lett 21: 2278-82 (2011) Article DOI: 10.1016/j.bmcl.2011.02.101 BindingDB Entry DOI: 10.7270/Q2RF5VBN
					More data for this Ligand-Target Pair