BDBM192722 KIRA analog, 4

SMILES: Nc1nccn2c(nc(-c3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c4ccccc34)c12)C1CCC1

InChI Key: InChIKey=YQNRTMUYMXUVNZ-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 = 192722   

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 [547-977] (Homo sapiens (Human))	BDBM192722 (KIRA analog, 4) Show SMILES Nc1nccn2c(nc(-c3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c4ccccc34)c12)C1CCC1 Show InChI InChI=1S/C28H23F3N6O/c29-28(30,31)17-7-4-8-18(15-17)34-27(38)35-22-12-11-21(19-9-1-2-10-20(19)22)23-24-25(32)33-13-14-37(24)26(36-23)16-5-3-6-16/h1-2,4,7-16H,3,5-6H2,(H2,32,33)(H2,34,35,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	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
Serine/threonine-protein kinase/endoribonuclease IRE1 [547-977] (Homo sapiens (Human))	BDBM192722 (KIRA analog, 4) Show SMILES Nc1nccn2c(nc(-c3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c4ccccc34)c12)C1CCC1 Show InChI InChI=1S/C28H23F3N6O/c29-28(30,31)17-7-4-8-18(15-17)34-27(38)35-22-12-11-21(19-9-1-2-10-20(19)22)23-24-25(32)33-13-14-37(24)26(36-23)16-5-3-6-16/h1-2,4,7-16H,3,5-6H2,(H2,32,33)(H2,34,35,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	510	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