BDBM257108 US9493435, 126

SMILES: Oc1ccc2cc(ccc2c1C=O)-c1ccc(nc1)C(=O)NCCN1CCOCC1

InChI Key: InChIKey=QVWOKNZTYFEIKX-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 = 257108   

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
Glutathione S-transferase P/Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM257108 (US9493435, 126) Show SMILES Oc1ccc2cc(ccc2c1C=O)-c1ccc(nc1)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C23H23N3O4/c27-15-20-19-4-1-16(13-17(19)3-6-22(20)28)18-2-5-21(25-14-18)23(29)24-7-8-26-9-11-30-12-10-26/h1-6,13-15,28H,7-12H2,(H,24,29)	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	7.5	30
MannKing Corporation US Patent					Assay Description A fusion protein comprising glutathione S transferase (GST) and human IRE-1α (GST-IRE-1α) obtained from a 500 ml baculovirus-infected ins...				US Patent US9493435 (2016) BindingDB Entry DOI: 10.7270/Q29Z93TG
					More data for this Ligand-Target Pair