BDBM54518 2-[(4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]-N-phenyl-acetamide::2-[(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-phenyl-ethanamide::2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-phenylacetamide::2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]-N-phenylacetamide::MLS001034138::SMR000668951::cid_2223437

SMILES: O=C(CSc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)Nc1ccccc1

InChI Key: InChIKey=IDDYCVXVNVIKCZ-UHFFFAOYSA-N

Data: 4 IC50  1 EC50

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 5 hits for monomerid = 54518   

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 2 (Homo sapiens (Human))	BDBM54518 (2-[(4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl...) Show SMILES O=C(CSc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)Nc1ccccc1 Show InChI InChI=1S/C20H15N3O2S2/c24-16(21-14-9-5-2-6-10-14)12-27-20-22-18(25)17-15(11-26-19(17)23-20)13-7-3-1-4-8-13/h1-11H,12H2,(H,21,24)(H,22,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.93E+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/Q23R0R8T
					More data for this Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1 (Homo sapiens (Human))	BDBM54518 (2-[(4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl...) Show SMILES O=C(CSc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)Nc1ccccc1 Show InChI InChI=1S/C20H15N3O2S2/c24-16(21-14-9-5-2-6-10-14)12-27-20-22-18(25)17-15(11-26-19(17)23-20)13-7-3-1-4-8-13/h1-11H,12H2,(H,21,24)(H,22,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	5.71E+3	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/Q2CN72C0
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM54518 (2-[(4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl...) Show SMILES O=C(CSc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)Nc1ccccc1 Show InChI InChI=1S/C20H15N3O2S2/c24-16(21-14-9-5-2-6-10-14)12-27-20-22-18(25)17-15(11-26-19(17)23-20)13-7-3-1-4-8-13/h1-11H,12H2,(H,21,24)(H,22,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.96E+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
nucleotide-binding oligomerization domain containing 1 (Homo sapiens (Human))	BDBM54518 (2-[(4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl...) Show SMILES O=C(CSc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)Nc1ccccc1 Show InChI InChI=1S/C20H15N3O2S2/c24-16(21-14-9-5-2-6-10-14)12-27-20-22-18(25)17-15(11-26-19(17)23-20)13-7-3-1-4-8-13/h1-11H,12H2,(H,21,24)(H,22,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.83E+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
Tumor necrosis factor (Homo sapiens (Human))	BDBM54518 (2-[(4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl...) Show SMILES O=C(CSc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)Nc1ccccc1 Show InChI InChI=1S/C20H15N3O2S2/c24-16(21-14-9-5-2-6-10-14)12-27-20-22-18(25)17-15(11-26-19(17)23-20)13-7-3-1-4-8-13/h1-11H,12H2,(H,21,24)(H,22,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.78E+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/Q25M6443
					More data for this Ligand-Target Pair