null

SMILES: Cc1c(C)c(ccc1NC(=O)Nc1cccc(c1)C(F)(F)F)-c1nc(n2ccnc(N)c12)C1(C)CC1

InChI Key: InChIKey=ZMLAFXSLSPBECC-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 192728   

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))	BDBM192728 (KIRA analog, 10) Show SMILES Cc1c(C)c(ccc1NC(=O)Nc1cccc(c1)C(F)(F)F)-c1nc(n2ccnc(N)c12)C1(C)CC1 Show InChI InChI=1S/C26H25F3N6O/c1-14-15(2)19(33-24(36)32-17-6-4-5-16(13-17)26(27,28)29)8-7-18(14)20-21-22(30)31-11-12-35(21)23(34-20)25(3)9-10-25/h4-8,11-13H,9-10H2,1-3H3,(H2,30,31)(H2,32,33,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	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))	BDBM192728 (KIRA analog, 10) Show SMILES Cc1c(C)c(ccc1NC(=O)Nc1cccc(c1)C(F)(F)F)-c1nc(n2ccnc(N)c12)C1(C)CC1 Show InChI InChI=1S/C26H25F3N6O/c1-14-15(2)19(33-24(36)32-17-6-4-5-16(13-17)26(27,28)29)8-7-18(14)20-21-22(30)31-11-12-35(21)23(34-20)25(3)9-10-25/h4-8,11-13H,9-10H2,1-3H3,(H2,30,31)(H2,32,33,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90E+3	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