BDBM50107679 CHEMBL3600513

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

InChI Key: InChIKey=OZXKSZGYVOHFOD-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 = 50107679   

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))	BDBM50107679 (CHEMBL3600513) Show SMILES CCNC(=O)c1noc(c1C#CC(C)(C)NC(C)=O)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C22H27N3O5/c1-7-23-21(29)19-14(8-9-22(5,6)24-13(4)26)20(30-25-19)16-10-15(12(2)3)17(27)11-18(16)28/h10-12,27-28H,7H2,1-6H3,(H,23,29)(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	50	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))	BDBM50107679 (CHEMBL3600513) Show SMILES CCNC(=O)c1noc(c1C#CC(C)(C)NC(C)=O)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C22H27N3O5/c1-7-23-21(29)19-14(8-9-22(5,6)24-13(4)26)20(30-25-19)16-10-15(12(2)3)17(27)11-18(16)28/h10-12,27-28H,7H2,1-6H3,(H,23,29)(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	76	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