null

SMILES: CC1Cc2cc(ccc2N1C(C)=O)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O

InChI Key: InChIKey=YPFZPYANOJYRJV-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 62245   

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
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM62245 (1-[2-methyl-5-[4-(4-nitrophenyl)piperazin-1-yl]sul...) Show SMILES CC1Cc2cc(ccc2N1C(C)=O)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C21H24N4O5S/c1-15-13-17-14-20(7-8-21(17)24(15)16(2)26)31(29,30)23-11-9-22(10-12-23)18-3-5-19(6-4-18)25(27)28/h3-8,14-15H,9-13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2Z899VD
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM62245 (1-[2-methyl-5-[4-(4-nitrophenyl)piperazin-1-yl]sul...) Show SMILES CC1Cc2cc(ccc2N1C(C)=O)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C21H24N4O5S/c1-15-13-17-14-20(7-8-21(17)24(15)16(2)26)31(29,30)23-11-9-22(10-12-23)18-3-5-19(6-4-18)25(27)28/h3-8,14-15H,9-13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of NOD-1 mediated NFkappaB activation in HEK293T cells assessed as inhibition of gamma-tri-DAP-induced luciferase activity after 14 hrs by...				ACS Med Chem Lett 2: 780-785 (2011) Article DOI: 10.1021/ml200158b BindingDB Entry DOI: 10.7270/Q2H9966Z
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM62245 (1-[2-methyl-5-[4-(4-nitrophenyl)piperazin-1-yl]sul...) Show SMILES CC1Cc2cc(ccc2N1C(C)=O)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C21H24N4O5S/c1-15-13-17-14-20(7-8-21(17)24(15)16(2)26)31(29,30)23-11-9-22(10-12-23)18-3-5-19(6-4-18)25(27)28/h3-8,14-15H,9-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of NOD-2 mediated NFkappaB activation in HEK293T cells assessed as inhibition of MDP-induced luciferase activity after 14 hrs by reporter ...				ACS Med Chem Lett 2: 780-785 (2011) Article DOI: 10.1021/ml200158b BindingDB Entry DOI: 10.7270/Q2H9966Z
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM62245 (1-[2-methyl-5-[4-(4-nitrophenyl)piperazin-1-yl]sul...) Show SMILES CC1Cc2cc(ccc2N1C(C)=O)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C21H24N4O5S/c1-15-13-17-14-20(7-8-21(17)24(15)16(2)26)31(29,30)23-11-9-22(10-12-23)18-3-5-19(6-4-18)25(27)28/h3-8,14-15H,9-13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2PR7TDC
					More data for this Ligand-Target Pair