BDBM87492 MLS001080022::N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide::N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-[5-(4-morpholinylsulfonyl)-2-thiophenyl]acetamide::N-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanamide::N-[2-keto-2-(p-anisidino)ethyl]-N-methyl-2-(5-morpholinosulfonyl-2-thienyl)acetamide::SMR000717478::cid_16256016

SMILES: COc1ccc(NC(=O)CN(C)C(=O)Cc2ccc(s2)S(=O)(=O)N2CCOCC2)cc1

InChI Key: InChIKey=BIGVVCWRCKTFAN-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 = 87492   

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))	BDBM87492 (MLS001080022 | N-[2-(4-methoxyanilino)-2-oxoethyl]...) Show SMILES COc1ccc(NC(=O)CN(C)C(=O)Cc2ccc(s2)S(=O)(=O)N2CCOCC2)cc1 Show InChI InChI=1S/C20H25N3O6S2/c1-22(14-18(24)21-15-3-5-16(28-2)6-4-15)19(25)13-17-7-8-20(30-17)31(26,27)23-9-11-29-12-10-23/h3-8H,9-14H2,1-2H3,(H,21,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.03E+3	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) BindingDB Entry DOI: 10.7270/Q2RB736G
					More data for this Ligand-Target Pair