BDBM192748 KIRA analog, 30

SMILES: CC(C)(C)c1nc(-c2ccc(NC(=O)N3CCN(C3=O)c3cccc(c3)C(F)(F)F)c3ccccc23)c2c(N)nccn12

InChI Key: InChIKey=CEJOAGFOACVEMB-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 = 192748   

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))	BDBM192748 (KIRA analog, 30) Show SMILES CC(C)(C)c1nc(-c2ccc(NC(=O)N3CCN(C3=O)c3cccc(c3)C(F)(F)F)c3ccccc23)c2c(N)nccn12 Show InChI InChI=1S/C31H28F3N7O2/c1-30(2,3)27-38-24(25-26(35)36-13-14-40(25)27)22-11-12-23(21-10-5-4-9-20(21)22)37-28(42)41-16-15-39(29(41)43)19-8-6-7-18(17-19)31(32,33)34/h4-14,17H,15-16H2,1-3H3,(H2,35,36)(H,37,42)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>6.00E+4	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))	BDBM192748 (KIRA analog, 30) Show SMILES CC(C)(C)c1nc(-c2ccc(NC(=O)N3CCN(C3=O)c3cccc(c3)C(F)(F)F)c3ccccc23)c2c(N)nccn12 Show InChI InChI=1S/C31H28F3N7O2/c1-30(2,3)27-38-24(25-26(35)36-13-14-40(25)27)22-11-12-23(21-10-5-4-9-20(21)22)37-28(42)41-16-15-39(29(41)43)19-8-6-7-18(17-19)31(32,33)34/h4-14,17H,15-16H2,1-3H3,(H2,35,36)(H,37,42)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>6.00E+4	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