BDBM192725 KIRA analog, 7

SMILES: CC1(CC1)c1nc(-c2ccc(NC(=O)Nc3cccc(c3)C(F)(F)F)cc2F)c2c(N)nccn12

InChI Key: InChIKey=UXHIEVKOMOFSPB-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 = 192725   

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))	BDBM192725 (KIRA analog, 7) Show SMILES CC1(CC1)c1nc(-c2ccc(NC(=O)Nc3cccc(c3)C(F)(F)F)cc2F)c2c(N)nccn12 Show InChI InChI=1S/C24H20F4N6O/c1-23(7-8-23)21-33-18(19-20(29)30-9-10-34(19)21)16-6-5-15(12-17(16)25)32-22(35)31-14-4-2-3-13(11-14)24(26,27)28/h2-6,9-12H,7-8H2,1H3,(H2,29,30)(H2,31,32,35)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	390	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))	BDBM192725 (KIRA analog, 7) Show SMILES CC1(CC1)c1nc(-c2ccc(NC(=O)Nc3cccc(c3)C(F)(F)F)cc2F)c2c(N)nccn12 Show InChI InChI=1S/C24H20F4N6O/c1-23(7-8-23)21-33-18(19-20(29)30-9-10-34(19)21)16-6-5-15(12-17(16)25)32-22(35)31-14-4-2-3-13(11-14)24(26,27)28/h2-6,9-12H,7-8H2,1H3,(H2,29,30)(H2,31,32,35)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	850	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