BDBM50107730 CHEMBL3600494

SMILES: CC(C)NC(=O)c1noc(c1C#Cc1ccccc1)-c1cc(C(C)C)c(O)cc1O

InChI Key: InChIKey=SJSZIOGBCPNYSG-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 = 50107730   

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))	BDBM50107730 (CHEMBL3600494) Show SMILES CC(C)NC(=O)c1noc(c1C#Cc1ccccc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C24H24N2O4/c1-14(2)18-12-19(21(28)13-20(18)27)23-17(11-10-16-8-6-5-7-9-16)22(26-30-23)24(29)25-15(3)4/h5-9,12-15,27-28H,1-4H3,(H,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	45	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))	BDBM50107730 (CHEMBL3600494) Show SMILES CC(C)NC(=O)c1noc(c1C#Cc1ccccc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C24H24N2O4/c1-14(2)18-12-19(21(28)13-20(18)27)23-17(11-10-16-8-6-5-7-9-16)22(26-30-23)24(29)25-15(3)4/h5-9,12-15,27-28H,1-4H3,(H,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	133	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