null

SMILES: CC1(CC1)c1nc(-c2ccc(NC(=O)Nc3cc(F)cc(c3)C(F)(F)F)c3ccccc23)c2c(N)nccn12

InChI Key: InChIKey=ZSWNJFKGOATENB-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 192736   

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))	BDBM192736 (KIRA analog, 18) Show SMILES CC1(CC1)c1nc(-c2ccc(NC(=O)Nc3cc(F)cc(c3)C(F)(F)F)c3ccccc23)c2c(N)nccn12 Show InChI InChI=1S/C28H22F4N6O/c1-27(8-9-27)25-37-22(23-24(33)34-10-11-38(23)25)20-6-7-21(19-5-3-2-4-18(19)20)36-26(39)35-17-13-15(28(30,31)32)12-16(29)14-17/h2-7,10-14H,8-9H2,1H3,(H2,33,34)(H2,35,36,39)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	610	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))	BDBM192736 (KIRA analog, 18) Show SMILES CC1(CC1)c1nc(-c2ccc(NC(=O)Nc3cc(F)cc(c3)C(F)(F)F)c3ccccc23)c2c(N)nccn12 Show InChI InChI=1S/C28H22F4N6O/c1-27(8-9-27)25-37-22(23-24(33)34-10-11-38(23)25)20-6-7-21(19-5-3-2-4-18(19)20)36-26(39)35-17-13-15(28(30,31)32)12-16(29)14-17/h2-7,10-14H,8-9H2,1H3,(H2,33,34)(H2,35,36,39)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	940	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