BDBM87472 2-[[4-methyl-5-(4-morpholinylmethyl)-1,2,4-triazol-3-yl]thio]-N-(4-propan-2-ylphenyl)acetamide::2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide::2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)ethanamide::2-[[4-methyl-5-(morpholinomethyl)-1,2,4-triazol-3-yl]thio]-N-p-cumenyl-acetamide::MLS001223198::N-(4-Isopropyl-phenyl)-2-(4-methyl-5-morpholin-4-ylmethyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide::SMR000612947::cid_2972182

SMILES: CC(C)c1ccc(NC(=O)CSc2nnc(CN3CCOCC3)n2C)cc1

InChI Key: InChIKey=ICWPUNAVKYBGBL-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 87472   

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
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM87472 (2-[[4-methyl-5-(4-morpholinylmethyl)-1,2,4-triazol...) Show SMILES CC(C)c1ccc(NC(=O)CSc2nnc(CN3CCOCC3)n2C)cc1 Show InChI InChI=1S/C19H27N5O2S/c1-14(2)15-4-6-16(7-5-15)20-18(25)13-27-19-22-21-17(23(19)3)12-24-8-10-26-11-9-24/h4-7,14H,8-13H2,1-3H3,(H,20,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	Purchase PC cid PC sid UniChem Similars	Article PCBioAssay	n/a	n/a	1.42E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) Article DOI: 10.1016/j.bioorg.2016.07.011 BindingDB Entry DOI: 10.7270/Q2RB736G
					More data for this Ligand-Target Pair