BDBM160351 US9040714, 19::US9693992, 19

SMILES: CC1CCN(CC1)C(=O)c1ccc(cc1)-c1c(C)c2ccc(O)c(C=O)c2oc1=O

InChI Key: InChIKey=KMEHDULTIPVUCA-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 = 160351   

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))	BDBM160351 (US9040714, 19 | US9693992, 19) Show SMILES CC1CCN(CC1)C(=O)c1ccc(cc1)-c1c(C)c2ccc(O)c(C=O)c2oc1=O Show InChI InChI=1S/C24H23NO5/c1-14-9-11-25(12-10-14)23(28)17-5-3-16(4-6-17)21-15(2)18-7-8-20(27)19(13-26)22(18)30-24(21)29/h3-8,13-14,27H,9-12H2,1-2H3	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 (Homo sapiens (Human))	BDBM160351 (US9040714, 19 | US9693992, 19) Show SMILES CC1CCN(CC1)C(=O)c1ccc(cc1)-c1c(C)c2ccc(O)c(C=O)c2oc1=O Show InChI InChI=1S/C24H23NO5/c1-14-9-11-25(12-10-14)23(28)17-5-3-16(4-6-17)21-15(2)18-7-8-20(27)19(13-26)22(18)30-24(21)29/h3-8,13-14,27H,9-12H2,1-2H3	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