BDBM21365 3-[(E)-{1-[1-(benzenesulfonyl)-1H-indol-3-yl]ethylidene}amino]guanidine::N1-arylsulfony indole, 7

SMILES: [#6]-[#6](=[#7]\[#7]=[#6](/[#7])-[#7])-c1cn(c2ccccc12)S(=O)(=O)c1ccccc1

InChI Key: InChIKey=NRMWTKWISGLWOP-UHFFFAOYSA-N

Data: 1 KI

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 21365   

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
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM21365 (3-[(E)-{1-[1-(benzenesulfonyl)-1H-indol-3-yl]ethyl...) Show SMILES [#6]-[#6](=[#7]\[#7]=[#6](/[#7])-[#7])-c1cn(c2ccccc12)S(=O)(=O)c1ccccc1 |w:2.2| Show InChI InChI=1S/C17H17N5O2S/c1-12(20-21-17(18)19)15-11-22(16-10-6-5-9-14(15)16)25(23,24)13-7-3-2-4-8-13/h2-11H,1H3,(H4,18,19,21)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8	-10.9	n/a	n/a	n/a	n/a	n/a	7.4	22
Wyeth Research					Assay Description IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...				J Med Chem 50: 5535-8 (2007) Article DOI: 10.1021/jm070521y BindingDB Entry DOI: 10.7270/Q23R0R5G
					More data for this Ligand-Target Pair