BDBM192734 KIRA analog, 16

SMILES: CSc1cccc(NC(=O)Nc2ccc(-c3nc(n4ccnc(N)c34)C3(C)CC3)c3ccccc23)c1

InChI Key: InChIKey=KNOUPJHMNDEZQP-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 = 192734   

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))	BDBM192734 (KIRA analog, 16) Show SMILES CSc1cccc(NC(=O)Nc2ccc(-c3nc(n4ccnc(N)c34)C3(C)CC3)c3ccccc23)c1 Show InChI InChI=1S/C28H26N6OS/c1-28(12-13-28)26-33-23(24-25(29)30-14-15-34(24)26)21-10-11-22(20-9-4-3-8-19(20)21)32-27(35)31-17-6-5-7-18(16-17)36-2/h3-11,14-16H,12-13H2,1-2H3,(H2,29,30)(H2,31,32,35)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	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))	BDBM192734 (KIRA analog, 16) Show SMILES CSc1cccc(NC(=O)Nc2ccc(-c3nc(n4ccnc(N)c34)C3(C)CC3)c3ccccc23)c1 Show InChI InChI=1S/C28H26N6OS/c1-28(12-13-28)26-33-23(24-25(29)30-14-15-34(24)26)21-10-11-22(20-9-4-3-8-19(20)21)32-27(35)31-17-6-5-7-18(16-17)36-2/h3-11,14-16H,12-13H2,1-2H3,(H2,29,30)(H2,31,32,35)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	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