BDBM50107724 CHEMBL3600500

SMILES: CCNC(=O)c1noc(c1C#CCN1CCOCC1)-c1cc(C(C)C)c(O)cc1O

InChI Key: InChIKey=KGQVZYMWAYVSHA-UHFFFAOYSA-N

Data: 2 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 = 50107724   

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))	BDBM50107724 (CHEMBL3600500) Show SMILES CCNC(=O)c1noc(c1C#CCN1CCOCC1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C22H27N3O5/c1-4-23-22(28)20-15(6-5-7-25-8-10-29-11-9-25)21(30-24-20)17-12-16(14(2)3)18(26)13-19(17)27/h12-14,26-27H,4,7-11H2,1-3H3,(H,23,28)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
Chengdu University of TCM Curated by ChEMBL					Assay Description Binding affinity to HSP90alpha (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 25: 3129-34 (2015) BindingDB Entry DOI: 10.7270/Q2959KB2
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50107724 (CHEMBL3600500) Show SMILES CCNC(=O)c1noc(c1C#CCN1CCOCC1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C22H27N3O5/c1-4-23-22(28)20-15(6-5-7-25-8-10-29-11-9-25)21(30-24-20)17-12-16(14(2)3)18(26)13-19(17)27/h12-14,26-27H,4,7-11H2,1-3H3,(H,23,28)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
Chengdu University of TCM Curated by ChEMBL					Assay Description Binding affinity to HSP90beta (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 25: 3129-34 (2015) BindingDB Entry DOI: 10.7270/Q2959KB2
					More data for this Ligand-Target Pair