BDBM192738 KIRA analog, 20

SMILES: CN1CCN(Cc2ccc(NC(=O)Nc3ccc(-c4nc(n5ccnc(N)c45)C4(C)CC4)c4ccccc34)cc2C(F)(F)F)CC1

InChI Key: InChIKey=LFZUJZFTTDWXCR-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 192738   

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
IRE1α (Homo sapiens (Human))	BDBM192738 (KIRA analog, 20) Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3ccc(-c4nc(n5ccnc(N)c45)C4(C)CC4)c4ccccc34)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C34H35F3N8O/c1-33(11-12-33)31-42-28(29-30(38)39-13-14-45(29)31)25-9-10-27(24-6-4-3-5-23(24)25)41-32(46)40-22-8-7-21(26(19-22)34(35,36)37)20-44-17-15-43(2)16-18-44/h3-10,13-14,19H,11-12,15-18,20H2,1-2H3,(H2,38,39)(H2,40,41,46)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington					Assay Description 5′-Carboxyfluorescein (FAM)- and 3′-Black Hole Quencher (BHQ)-labeled XBP1 single stemloop mini-substrate (5′FAM-CUGAGUCCGCAGCACUCA...				ACS Chem Biol 11: 2195-205 (2016) Article DOI: 10.1021/acschembio.5b00940 BindingDB Entry DOI: 10.7270/Q2ZK5FGQ
					More data for this Ligand-Target Pair
IRE1α (Homo sapiens (Human))	BDBM192738 (KIRA analog, 20) Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3ccc(-c4nc(n5ccnc(N)c45)C4(C)CC4)c4ccccc34)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C34H35F3N8O/c1-33(11-12-33)31-42-28(29-30(38)39-13-14-45(29)31)25-9-10-27(24-6-4-3-5-23(24)25)41-32(46)40-22-8-7-21(26(19-22)34(35,36)37)20-44-17-15-43(2)16-18-44/h3-10,13-14,19H,11-12,15-18,20H2,1-2H3,(H2,38,39)(H2,40,41,46)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	7.5	n/a
University of Washington					Assay Description Inhibitors (initial concentration 10 or 60 μM, three-fold serial dilutions) were incubated with IRE1α* in cleavage buffer (20 mM HEPES at p...				ACS Chem Biol 11: 2195-205 (2016) Article DOI: 10.1021/acschembio.5b00940 BindingDB Entry DOI: 10.7270/Q2ZK5FGQ
					More data for this Ligand-Target Pair