BDBM160368 US9040714, 36::US9693992, 36

SMILES: CN1CCC(CC1)NC(=O)c1sc(nc1C)N1CCc2c(C1)ccc(O)c2C=O

InChI Key: InChIKey=AEUAUWWOEKVAFP-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 = 160368   

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))	BDBM160368 (US9040714, 36 | US9693992, 36) Show SMILES CN1CCC(CC1)NC(=O)c1sc(nc1C)N1CCc2c(C1)ccc(O)c2C=O Show InChI InChI=1S/C21H26N4O3S/c1-13-19(20(28)23-15-5-8-24(2)9-6-15)29-21(22-13)25-10-7-16-14(11-25)3-4-18(27)17(16)12-26/h3-4,12,15,27H,5-11H2,1-2H3,(H,23,28)	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+3	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))	BDBM160368 (US9040714, 36 | US9693992, 36) Show SMILES CN1CCC(CC1)NC(=O)c1sc(nc1C)N1CCc2c(C1)ccc(O)c2C=O Show InChI InChI=1S/C21H26N4O3S/c1-13-19(20(28)23-15-5-8-24(2)9-6-15)29-21(22-13)25-10-7-16-14(11-25)3-4-18(27)17(16)12-26/h3-4,12,15,27H,5-11H2,1-2H3,(H,23,28)	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+3	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