BDBM192743 KIRA analog, 25

SMILES: CC1(CC1)c1nc(-c2ccc(NC(=O)NC3CCCCC3)c3ccccc23)c2c(N)nccn12

InChI Key: InChIKey=OKJIUKBAZZVIBS-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 = 192743   

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))	BDBM192743 (KIRA analog, 25) Show SMILES CC1(CC1)c1nc(-c2ccc(NC(=O)NC3CCCCC3)c3ccccc23)c2c(N)nccn12 Show InChI InChI=1S/C27H30N6O/c1-27(13-14-27)25-32-22(23-24(28)29-15-16-33(23)25)20-11-12-21(19-10-6-5-9-18(19)20)31-26(34)30-17-7-3-2-4-8-17/h5-6,9-12,15-17H,2-4,7-8,13-14H2,1H3,(H2,28,29)(H2,30,31,34)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+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
IRE1α (Homo sapiens (Human))	BDBM192743 (KIRA analog, 25) Show SMILES CC1(CC1)c1nc(-c2ccc(NC(=O)NC3CCCCC3)c3ccccc23)c2c(N)nccn12 Show InChI InChI=1S/C27H30N6O/c1-27(13-14-27)25-32-22(23-24(28)29-15-16-33(23)25)20-11-12-21(19-10-6-5-9-18(19)20)31-26(34)30-17-7-3-2-4-8-17/h5-6,9-12,15-17H,2-4,7-8,13-14H2,1H3,(H2,28,29)(H2,30,31,34)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+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