BDBM257057 US9493435, 75

SMILES: Oc1ccc2cc(ccc2c1C=O)-c1ccc(s1)C(=O)N1CC2CC1CN2

InChI Key: InChIKey=DRNXTSVLSWGSMJ-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 = 257057   

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
GST-Inositol requiring enzyme 1 (IRE-1alpha) (Homo sapiens (Human))	BDBM257057 (US9493435, 75) Show SMILES Oc1ccc2cc(ccc2c1C=O)-c1ccc(s1)C(=O)N1CC2CC1CN2 Show InChI InChI=1S/C21H18N2O3S/c24-11-17-16-3-1-13(7-12(16)2-4-18(17)25)19-5-6-20(27-19)21(26)23-10-14-8-15(23)9-22-14/h1-7,11,14-15,22,25H,8-10H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL 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