BDBM47559 2-[[3-(4-methylpiperazin-1-yl)sulfonylbenzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide::2-[[3-(4-methylpiperazin-1-yl)sulfonylphenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide::2-[[3-(4-methylpiperazino)sulfonylbenzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide::2-[[[3-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide::MLS000089298::SMR000062802::cid_2431454

SMILES: CN1CCN(CC1)S(=O)(=O)c1cccc(c1)C(=O)Nc1sc2CCCCc2c1C(N)=O

InChI Key: InChIKey=VLEOVIZONRKDLH-UHFFFAOYSA-N

Data: 1 EC50

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 = 47559   

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
glutathione S-transferase (Homo sapiens (Human))	BDBM47559 (2-[[3-(4-methylpiperazin-1-yl)sulfonylbenzoyl]amin...) Show SMILES CN1CCN(CC1)S(=O)(=O)c1cccc(c1)C(=O)Nc1sc2CCCCc2c1C(N)=O Show InChI InChI=1S/C21H26N4O4S2/c1-24-9-11-25(12-10-24)31(28,29)15-6-4-5-14(13-15)20(27)23-21-18(19(22)26)16-7-2-3-8-17(16)30-21/h4-6,13H,2-3,7-12H2,1H3,(H2,22,26)(H,23,27)	PDB MMDB NCI pathway 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	n/a	n/a	1.98E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-re...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2ZC8184
					More data for this Ligand-Target Pair