BDBM50292748 1-{[3-({[(4-Methylphenyl)sulfonyl]amino}methyl)benzyl]amino}ethaniminium chloride::CHEMBL490886

SMILES: C\C(N)=[NH+]\Cc1cccc(CNS(=O)(=O)c2ccc(C)cc2)c1

InChI Key: InChIKey=HRGKQLBKMDIDKN-UHFFFAOYSA-O

Data: 2 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 2 hits for monomerid = 50292748   

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
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50292748 (1-{[3-({[(4-Methylphenyl)sulfonyl]amino}methyl)ben...) Show SMILES C\C(N)=[NH+]\Cc1cccc(CNS(=O)(=O)c2ccc(C)cc2)c1 Show InChI InChI=1S/C17H21N3O2S/c1-13-6-8-17(9-7-13)23(21,22)20-12-16-5-3-4-15(10-16)11-19-14(2)18/h3-10,20H,11-12H2,1-2H3,(H2,18,19)/p+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universita G. d'Annunzio Curated by ChEMBL					Assay Description Inhibition of eNOS in LPS treated human THP1 cell homogenate assessed as conversion of L-[2,3-3H]arginine to L-[2,3-3H]citrulline preincubated 1 hr b...				J Med Chem 52: 1481-5 (2010) Article DOI: 10.1021/jm800846u BindingDB Entry DOI: 10.7270/Q2445MH9
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50292748 (1-{[3-({[(4-Methylphenyl)sulfonyl]amino}methyl)ben...) Show SMILES C\C(N)=[NH+]\Cc1cccc(CNS(=O)(=O)c2ccc(C)cc2)c1 Show InChI InChI=1S/C17H21N3O2S/c1-13-6-8-17(9-7-13)23(21,22)20-12-16-5-3-4-15(10-16)11-19-14(2)18/h3-10,20H,11-12H2,1-2H3,(H2,18,19)/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Universita G. d'Annunzio Curated by ChEMBL					Assay Description Inhibition of iNOS in LPS treated human THP1 cell homogenate assessed as conversion of L-[2,3-3H]arginine to L-[2,3-3H]citrulline preincubated 1 hr b...				J Med Chem 52: 1481-5 (2010) Article DOI: 10.1021/jm800846u BindingDB Entry DOI: 10.7270/Q2445MH9
					More data for this Ligand-Target Pair