BDBM160366 US9040714, 34::US9693992, 34

SMILES: Cc1nc(sc1C(=O)N1CCOCC1)N1CCc2c(C1)ccc(O)c2C=O

InChI Key: InChIKey=CHSNHXUUPGPISH-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

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 = 160366   

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
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha (Homo sapiens (Human))	BDBM160366 (US9040714, 34 | US9693992, 34) Show SMILES Cc1nc(sc1C(=O)N1CCOCC1)N1CCc2c(C1)ccc(O)c2C=O Show InChI InChI=1S/C19H21N3O4S/c1-12-17(18(25)21-6-8-26-9-7-21)27-19(20-12)22-5-4-14-13(10-22)2-3-16(24)15(14)11-23/h2-3,11,24H,4-10H2,1H3	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<1.00E+4	n/a	>1.00E+4	n/a	n/a	7.5	30
MannKind 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 US9693992 (2017) BindingDB Entry DOI: 10.7270/Q2CZ35BC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha (Homo sapiens (Human))	BDBM160366 (US9040714, 34 | US9693992, 34) Show SMILES Cc1nc(sc1C(=O)N1CCOCC1)N1CCc2c(C1)ccc(O)c2C=O Show InChI InChI=1S/C19H21N3O4S/c1-12-17(18(25)21-6-8-26-9-7-21)27-19(20-12)22-5-4-14-13(10-22)2-3-16(24)15(14)11-23/h2-3,11,24H,4-10H2,1H3	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	7.5	n/a
MannKind Corporation US Patent					Assay Description A fusion protein comprising glutathione S transferase (GST) and human IRE-1alpha (GST-IRE-1alpha) obtained from a 500 ml baculovirus-infected insect ...				US Patent US9040714 (2015) BindingDB Entry DOI: 10.7270/Q2S75F3S
					More data for this Ligand-Target Pair