null

SMILES: CSc1ccc(NC(=O)c2ccc(CN3CCc4ccccc34)cc2)cc1

InChI Key: InChIKey=YAQIKKBIALNQMC-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 62262   

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))	BDBM62262 (4-(2,3-dihydroindol-1-ylmethyl)-N-(4-methylsulfany...) Show SMILES CSc1ccc(NC(=O)c2ccc(CN3CCc4ccccc34)cc2)cc1 Show InChI InChI=1S/C23H22N2OS/c1-27-21-12-10-20(11-13-21)24-23(26)19-8-6-17(7-9-19)16-25-15-14-18-4-2-3-5-22(18)25/h2-13H,14-16H2,1H3,(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.00E+4	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 2 (Homo sapiens (Human))	BDBM62262 (4-(2,3-dihydroindol-1-ylmethyl)-N-(4-methylsulfany...) Show SMILES CSc1ccc(NC(=O)c2ccc(CN3CCc4ccccc34)cc2)cc1 Show InChI InChI=1S/C23H22N2OS/c1-27-21-12-10-20(11-13-21)24-23(26)19-8-6-17(7-9-19)16-25-15-14-18-4-2-3-5-22(18)25/h2-13H,14-16H2,1H3,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	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
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM62262 (4-(2,3-dihydroindol-1-ylmethyl)-N-(4-methylsulfany...) Show SMILES CSc1ccc(NC(=O)c2ccc(CN3CCc4ccccc34)cc2)cc1 Show InChI InChI=1S/C23H22N2OS/c1-27-21-12-10-20(11-13-21)24-23(26)19-8-6-17(7-9-19)16-25-15-14-18-4-2-3-5-22(18)25/h2-13H,14-16H2,1H3,(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	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
Tumor necrosis factor (Homo sapiens (Human))	BDBM62262 (4-(2,3-dihydroindol-1-ylmethyl)-N-(4-methylsulfany...) Show SMILES CSc1ccc(NC(=O)c2ccc(CN3CCc4ccccc34)cc2)cc1 Show InChI InChI=1S/C23H22N2OS/c1-27-21-12-10-20(11-13-21)24-23(26)19-8-6-17(7-9-19)16-25-15-14-18-4-2-3-5-22(18)25/h2-13H,14-16H2,1H3,(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>2.00E+4	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