BDBM50540248 CHEMBL4648197

SMILES: CCOC(=O)Cn1nnc(c1-c1ccc(cc1)S(C)(=O)=O)-c1cc(C(C)C)c(O)cc1O

InChI Key: InChIKey=HWEPYGBSGLNFBC-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50540248   

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))	BDBM50540248 (CHEMBL4648197) Show SMILES CCOC(=O)Cn1nnc(c1-c1ccc(cc1)S(C)(=O)=O)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C22H25N3O6S/c1-5-31-20(28)12-25-22(14-6-8-15(9-7-14)32(4,29)30)21(23-24-25)17-10-16(13(2)3)18(26)11-19(17)27/h6-11,13,26-27H,5,12H2,1-4H3	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	42	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
Endoplasmin (Homo sapiens (Human))	BDBM50540248 (CHEMBL4648197) Show SMILES CCOC(=O)Cn1nnc(c1-c1ccc(cc1)S(C)(=O)=O)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C22H25N3O6S/c1-5-31-20(28)12-25-22(14-6-8-15(9-7-14)32(4,29)30)21(23-24-25)17-10-16(13(2)3)18(26)11-19(17)27/h6-11,13,26-27H,5,12H2,1-4H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	100	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 GRP94 (unknown origin)				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
Heat shock protein 75 kDa, mitochondrial (Homo sapiens (Human))	BDBM50540248 (CHEMBL4648197) Show SMILES CCOC(=O)Cn1nnc(c1-c1ccc(cc1)S(C)(=O)=O)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C22H25N3O6S/c1-5-31-20(28)12-25-22(14-6-8-15(9-7-14)32(4,29)30)21(23-24-25)17-10-16(13(2)3)18(26)11-19(17)27/h6-11,13,26-27H,5,12H2,1-4H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	1.60E+4	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 TRAP1 (unknown origin)				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair