BDBM50540245 CHEMBL4641711

SMILES: CC(C)c1cc(-c2nnn(CC(O)=O)c2-c2cccc(c2)S(C)(=O)=O)c(O)cc1O

InChI Key: InChIKey=DTVRQHSPACBRRV-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 = 50540245   

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))	BDBM50540245 (CHEMBL4641711) Show SMILES CC(C)c1cc(-c2nnn(CC(O)=O)c2-c2cccc(c2)S(C)(=O)=O)c(O)cc1O Show InChI InChI=1S/C20H21N3O6S/c1-11(2)14-8-15(17(25)9-16(14)24)19-20(23(22-21-19)10-18(26)27)12-5-4-6-13(7-12)30(3,28)29/h4-9,11,24-25H,10H2,1-3H3,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	173	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF) Curated by ChEMBL					Assay Description Inhibition of recombinant HSP90alpha (unknown origin) incubated for 24 hrs in presence of 1-FITC3 probe by fluorescence polarization assay				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair