null

SMILES: CN1CCN(CC1)C(=O)c1cnc(s1)N1CCc2c(C1)ccc(O)c2C=O

InChI Key: InChIKey=LRBTXQHEWYOJPS-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 160365   

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 (Homo sapiens (Human))	BDBM160365 (US9040714, 33 | US9693992, 33) Show SMILES CN1CCN(CC1)C(=O)c1cnc(s1)N1CCc2c(C1)ccc(O)c2C=O Show InChI InChI=1S/C19H22N4O3S/c1-21-6-8-22(9-7-21)18(26)17-10-20-19(27-17)23-5-4-14-13(11-23)2-3-16(25)15(14)12-24/h2-3,10,12,25H,4-9,11H2,1H3	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 (Homo sapiens (Human))	BDBM160365 (US9040714, 33 | US9693992, 33) Show SMILES CN1CCN(CC1)C(=O)c1cnc(s1)N1CCc2c(C1)ccc(O)c2C=O Show InChI InChI=1S/C19H22N4O3S/c1-21-6-8-22(9-7-21)18(26)17-10-20-19(27-17)23-5-4-14-13(11-23)2-3-16(25)15(14)12-24/h2-3,10,12,25H,4-9,11H2,1H3	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