BDBM50234085 CHEMBL4102297

SMILES: Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2nc(OCCN)ccc2c1

InChI Key: InChIKey=YPGVWGQVQWWWMA-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 = 50234085   

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 factor protein 1 (Homo sapiens (Human))	BDBM50234085 (CHEMBL4102297) Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2nc(OCCN)ccc2c1 Show InChI InChI=1S/C28H26N4O5/c1-17-2-6-21(30-27(33)20-4-8-24-25(15-20)36-13-12-35-24)16-23(17)32-28(34)19-3-7-22-18(14-19)5-9-26(31-22)37-11-10-29/h2-9,14-16H,10-13,29H2,1H3,(H,30,33)(H,32,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...				J Med Chem 60: 180-201 (2017) BindingDB Entry DOI: 10.7270/Q2KW5J9D
					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Homo sapiens (Human))	BDBM50234085 (CHEMBL4102297) Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2nc(OCCN)ccc2c1 Show InChI InChI=1S/C28H26N4O5/c1-17-2-6-21(30-27(33)20-4-8-24-25(15-20)36-13-12-35-24)16-23(17)32-28(34)19-3-7-22-18(14-19)5-9-26(31-22)37-11-10-29/h2-9,14-16H,10-13,29H2,1H3,(H,30,33)(H,32,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...				J Med Chem 60: 180-201 (2017) BindingDB Entry DOI: 10.7270/Q2KW5J9D
					More data for this Ligand-Target Pair