BDBM47311 2-[(4-chlorobenzyl)sulfanyl]-6-oxo-4-(2-thienyl)-1,6-dihydro-5-pyrimidinecarbonitrile::2-[(4-chlorobenzyl)thio]-4-keto-6-(2-thienyl)-1H-pyrimidine-5-carbonitrile::2-[(4-chlorophenyl)methylsulfanyl]-4-oxidanylidene-6-thiophen-2-yl-1H-pyrimidine-5-carbonitrile::2-[(4-chlorophenyl)methylsulfanyl]-4-oxo-6-thiophen-2-yl-1H-pyrimidine-5-carbonitrile::2-[(4-chlorophenyl)methylthio]-4-oxo-6-thiophen-2-yl-1H-pyrimidine-5-carbonitrile::MLS000705749::SMR000231786::cid_1234393

SMILES: Clc1ccc(CSc2nc(-c3cccs3)c(C#N)c(=O)[nH]2)cc1

InChI Key: InChIKey=JQXFFLCVJXGBDY-UHFFFAOYSA-N

Data: 5 IC50  2 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 7 hits for monomerid = 47311   

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 2 (Homo sapiens (Human))	BDBM47311 (2-[(4-chlorobenzyl)sulfanyl]-6-oxo-4-(2-thienyl)-1...) Show SMILES Clc1ccc(CSc2nc(-c3cccs3)c(C#N)c(=O)[nH]2)cc1 Show InChI InChI=1S/C16H10ClN3OS2/c17-11-5-3-10(4-6-11)9-23-16-19-14(13-2-1-7-22-13)12(8-18)15(21)20-16/h1-7H,9H2,(H,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.99E+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
SUMO-conjugating enzyme UBC9 (Homo sapiens (Human))	BDBM47311 (2-[(4-chlorobenzyl)sulfanyl]-6-oxo-4-(2-thienyl)-1...) Show SMILES Clc1ccc(CSc2nc(-c3cccs3)c(C#N)c(=O)[nH]2)cc1 Show InChI InChI=1S/C16H10ClN3OS2/c17-11-5-3-10(4-6-11)9-23-16-19-14(13-2-1-7-22-13)12(8-18)15(21)20-16/h1-7H,9H2,(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	9.93E+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/Q2V986G8
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM47311 (2-[(4-chlorobenzyl)sulfanyl]-6-oxo-4-(2-thienyl)-1...) Show SMILES Clc1ccc(CSc2nc(-c3cccs3)c(C#N)c(=O)[nH]2)cc1 Show InChI InChI=1S/C16H10ClN3OS2/c17-11-5-3-10(4-6-11)9-23-16-19-14(13-2-1-7-22-13)12(8-18)15(21)20-16/h1-7H,9H2,(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	4.58E+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
Major prion protein (Homo sapiens (Human))	BDBM47311 (2-[(4-chlorobenzyl)sulfanyl]-6-oxo-4-(2-thienyl)-1...) Show SMILES Clc1ccc(CSc2nc(-c3cccs3)c(C#N)c(=O)[nH]2)cc1 Show InChI InChI=1S/C16H10ClN3OS2/c17-11-5-3-10(4-6-11)9-23-16-19-14(13-2-1-7-22-13)12(8-18)15(21)20-16/h1-7H,9H2,(H,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2014) BindingDB Entry DOI: 10.7270/Q2HM573M
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM47311 (2-[(4-chlorobenzyl)sulfanyl]-6-oxo-4-(2-thienyl)-1...) Show SMILES Clc1ccc(CSc2nc(-c3cccs3)c(C#N)c(=O)[nH]2)cc1 Show InChI InChI=1S/C16H10ClN3OS2/c17-11-5-3-10(4-6-11)9-23-16-19-14(13-2-1-7-22-13)12(8-18)15(21)20-16/h1-7H,9H2,(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.15E+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/Q25M6443
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM47311 (2-[(4-chlorobenzyl)sulfanyl]-6-oxo-4-(2-thienyl)-1...) Show SMILES Clc1ccc(CSc2nc(-c3cccs3)c(C#N)c(=O)[nH]2)cc1 Show InChI InChI=1S/C16H10ClN3OS2/c17-11-5-3-10(4-6-11)9-23-16-19-14(13-2-1-7-22-13)12(8-18)15(21)20-16/h1-7H,9H2,(H,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2TX3CTT
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1 (Homo sapiens (Human))	BDBM47311 (2-[(4-chlorobenzyl)sulfanyl]-6-oxo-4-(2-thienyl)-1...) Show SMILES Clc1ccc(CSc2nc(-c3cccs3)c(C#N)c(=O)[nH]2)cc1 Show InChI InChI=1S/C16H10ClN3OS2/c17-11-5-3-10(4-6-11)9-23-16-19-14(13-2-1-7-22-13)12(8-18)15(21)20-16/h1-7H,9H2,(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.80E+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/Q2BP0175
					More data for this Ligand-Target Pair