BDBM50361688 CHEMBL1940931

SMILES: CCNC(=O)c1noc(c1NC(=O)C1CCC(CC1)C(C)(C)C)-c1cc(C(C)C)c(O)cc1O

InChI Key: InChIKey=ZHOPMAPGOGTAOR-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 = 50361688   

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))	BDBM50361688 (CHEMBL1940931) Show SMILES CCNC(=O)c1noc(c1NC(=O)C1CCC(CC1)C(C)(C)C)-c1cc(C(C)C)c(O)cc1O |(22.08,-31.83,;20.54,-31.83,;19.77,-30.49,;18.23,-30.49,;17.57,-29.1,;17.36,-31.76,;17.88,-33.21,;16.66,-34.15,;15.39,-33.27,;15.82,-31.8,;14.88,-30.58,;13.35,-30.55,;12.55,-31.86,;12.6,-29.2,;13.4,-27.88,;12.67,-26.54,;11.13,-26.49,;10.32,-27.81,;11.06,-29.17,;10.39,-25.14,;11.2,-23.83,;8.85,-25.1,;9.61,-23.8,;14.06,-34.04,;12.72,-33.28,;11.39,-34.05,;10.06,-33.28,;10.06,-31.74,;8.72,-34.05,;11.39,-35.6,;10.06,-36.36,;12.72,-36.37,;14.06,-35.59,;15.4,-36.36,)| Show InChI InChI=1S/C26H37N3O5/c1-7-27-25(33)22-21(28-24(32)15-8-10-16(11-9-15)26(4,5)6)23(34-29-22)18-12-17(14(2)3)19(30)13-20(18)31/h12-16,30-31H,7-11H2,1-6H3,(H,27,33)(H,28,32)	PDB MMDB 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	30	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Binding affinity to Hsp90 after 4 hrs by fluorescence polarization assay				J Med Chem 54: 8592-604 (2011) Article DOI: 10.1021/jm201155e BindingDB Entry DOI: 10.7270/Q2QF8T9M
					More data for this Ligand-Target Pair