null

SMILES: COc1nc(NS(=O)(=O)c2cccc(F)c2Cl)ccc1\C=C\c1cnc(NC2CC[C@@H](CC2)N(C)C)nc1

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 662031   

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
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM662031 (2-chloro-N-(5-((E)-2-(2-(((1r,4r)-4- (dimethylamin...) Show SMILES COc1nc(NS(=O)(=O)c2cccc(F)c2Cl)ccc1\C=C\c1cnc(NC2CC[C@@H](CC2)N(C)C)nc1 |r,wD:30.35,(;-1.33,.77,;-2.67,,;-4,.77,;-5.33,,;-6.67,.77,;-8,,;-8.77,-1.33,;-7.23,-1.33,;-9.34,.77,;-10.67,,;-12,.77,;-12,2.31,;-10.67,3.08,;-10.67,4.62,;-9.34,2.31,;-8,3.08,;-5.33,-1.54,;-4,-2.31,;-2.67,-1.54,;-1.33,-2.31,;,-1.54,;1.33,-2.31,;2.67,-1.54,;4,-2.31,;4,-3.85,;5.33,-4.62,;6.67,-3.85,;6.67,-2.31,;8,-1.54,;9.34,-2.31,;9.34,-3.85,;8,-4.62,;10.67,-1.54,;12,-2.31,;10.67,,;2.67,-4.62,;1.33,-3.85,)| Show InChI	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM662031 (2-chloro-N-(5-((E)-2-(2-(((1r,4r)-4- (dimethylamin...) Show SMILES COc1nc(NS(=O)(=O)c2cccc(F)c2Cl)ccc1\C=C\c1cnc(NC2CC[C@@H](CC2)N(C)C)nc1 |r,wD:30.35,(;-1.33,.77,;-2.67,,;-4,.77,;-5.33,,;-6.67,.77,;-8,,;-8.77,-1.33,;-7.23,-1.33,;-9.34,.77,;-10.67,,;-12,.77,;-12,2.31,;-10.67,3.08,;-10.67,4.62,;-9.34,2.31,;-8,3.08,;-5.33,-1.54,;-4,-2.31,;-2.67,-1.54,;-1.33,-2.31,;,-1.54,;1.33,-2.31,;2.67,-1.54,;4,-2.31,;4,-3.85,;5.33,-4.62,;6.67,-3.85,;6.67,-2.31,;8,-1.54,;9.34,-2.31,;9.34,-3.85,;8,-4.62,;10.67,-1.54,;12,-2.31,;10.67,,;2.67,-4.62,;1.33,-3.85,)| Show InChI	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair