BDBM87745 MLS000529701::N-[(1,2-dimethyl-5-indolyl)methyl]-4-(dimethylsulfamoyl)benzamide::N-[(1,2-dimethylindol-5-yl)methyl]-4-(dimethylsulfamoyl)benzamide::SMR000127183::cid_5167419

SMILES: CN(C)S(=O)(=O)c1ccc(cc1)C(=O)NCc1ccc2n(C)c(C)cc2c1

InChI Key: InChIKey=HUSWUQXPRZSYCR-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 87745   

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
Botulinum neurotoxin type A (Clostridium botulinum (strain Hall / ATCC 3502 / N...)	BDBM87745 (MLS000529701 | N-[(1,2-dimethyl-5-indolyl)methyl]-...) Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)C(=O)NCc1ccc2n(C)c(C)cc2c1 Show InChI InChI=1S/C20H23N3O3S/c1-14-11-17-12-15(5-10-19(17)23(14)4)13-21-20(24)16-6-8-18(9-7-16)27(25,26)22(2)3/h5-12H,13H2,1-4H3,(H,21,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q22N50WB
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM87745 (MLS000529701 | N-[(1,2-dimethyl-5-indolyl)methyl]-...) Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)C(=O)NCc1ccc2n(C)c(C)cc2c1 Show InChI InChI=1S/C20H23N3O3S/c1-14-11-17-12-15(5-10-19(17)23(14)4)13-21-20(24)16-6-8-18(9-7-16)27(25,26)22(2)3/h5-12H,13H2,1-4H3,(H,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q26D5RK7
					More data for this Ligand-Target Pair