BDBM192740 KIRA analog, 22

SMILES: Cc1cc(NC(=O)Nc2ccc(-c3nc(n4ccnc(N)c34)C3(C)CC3)c3ccccc23)n[nH]1

InChI Key: InChIKey=MKILPOPQNQXBCK-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 = 192740   

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))	BDBM192740 (KIRA analog, 22) Show SMILES Cc1cc(NC(=O)Nc2ccc(-c3nc(n4ccnc(N)c34)C3(C)CC3)c3ccccc23)n[nH]1 Show InChI InChI=1S/C25H24N8O/c1-14-13-19(32-31-14)29-24(34)28-18-8-7-17(15-5-3-4-6-16(15)18)20-21-22(26)27-11-12-33(21)23(30-20)25(2)9-10-25/h3-8,11-13H,9-10H2,1-2H3,(H2,26,27)(H3,28,29,31,32,34)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10E+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
IRE1α (Homo sapiens (Human))	BDBM192740 (KIRA analog, 22) Show SMILES Cc1cc(NC(=O)Nc2ccc(-c3nc(n4ccnc(N)c34)C3(C)CC3)c3ccccc23)n[nH]1 Show InChI InChI=1S/C25H24N8O/c1-14-13-19(32-31-14)29-24(34)28-18-8-7-17(15-5-3-4-6-16(15)18)20-21-22(26)27-11-12-33(21)23(30-20)25(2)9-10-25/h3-8,11-13H,9-10H2,1-2H3,(H2,26,27)(H3,28,29,31,32,34)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+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