Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 298.3 BDBM76314Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
NACHT, LRR and PYD domains-containing protein 1 (Homo sapiens (Human))	BDBM76314 (2-(4-isopropoxyanilino)-N-(p-tolyl)acetamide | MLS...) Show SMILES CC(C)Oc1ccc(NCC(=O)Nc2ccc(C)cc2)cc1 Show InChI InChI=1S/C18H22N2O2/c1-13(2)22-17-10-8-15(9-11-17)19-12-18(21)20-16-6-4-14(3)5-7-16/h4-11,13,19H,12H2,1-3H3,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.26E+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/Q22Z140X
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM76314 (2-(4-isopropoxyanilino)-N-(p-tolyl)acetamide | MLS...) Show SMILES CC(C)Oc1ccc(NCC(=O)Nc2ccc(C)cc2)cc1 Show InChI InChI=1S/C18H22N2O2/c1-13(2)22-17-10-8-15(9-11-17)19-12-18(21)20-16-6-4-14(3)5-7-16/h4-11,13,19H,12H2,1-3H3,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.26E+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/Q2TD9VTQ
					More data for this Ligand-Target Pair