Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 361.4 BDBM46774Purchase

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

Found 5 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
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM46774 (4-tert-butyl-N-[(2-thenoylamino)thiocarbamoyl]benz...) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)NC(=S)NNC(=O)c1cccs1 Show InChI InChI=1S/C17H19N3O2S2/c1-17(2,3)12-8-6-11(7-9-12)14(21)18-16(23)20-19-15(22)13-5-4-10-24-13/h4-10H,1-3H3,(H,19,22)(H2,18,20,21,23)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2PC30VZ
					More data for this Ligand-Target Pair
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM46774 (4-tert-butyl-N-[(2-thenoylamino)thiocarbamoyl]benz...) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)NC(=S)NNC(=O)c1cccs1 Show InChI InChI=1S/C17H19N3O2S2/c1-17(2,3)12-8-6-11(7-9-12)14(21)18-16(23)20-19-15(22)13-5-4-10-24-13/h4-10H,1-3H3,(H,19,22)(H2,18,20,21,23)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q28C9TQN
					More data for this Ligand-Target Pair
X-box-binding protein 1 (Homo sapiens (Human))	BDBM46774 (4-tert-butyl-N-[(2-thenoylamino)thiocarbamoyl]benz...) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)NC(=S)NNC(=O)c1cccs1 Show InChI InChI=1S/C17H19N3O2S2/c1-17(2,3)12-8-6-11(7-9-12)14(21)18-16(23)20-19-15(22)13-5-4-10-24-13/h4-10H,1-3H3,(H,19,22)(H2,18,20,21,23)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2NK3CGB
					More data for this Ligand-Target Pair
Mucolipin-3 (Homo sapiens (Human))	BDBM46774 (4-tert-butyl-N-[(2-thenoylamino)thiocarbamoyl]benz...) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)NC(=S)NNC(=O)c1cccs1 Show InChI InChI=1S/C17H19N3O2S2/c1-17(2,3)12-8-6-11(7-9-12)14(21)18-16(23)20-19-15(22)13-5-4-10-24-13/h4-10H,1-3H3,(H,19,22)(H2,18,20,21,23)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	292	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) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q22Z13Z2
					More data for this Ligand-Target Pair
Ion channel NompC (Danio rerio)	BDBM46774 (4-tert-butyl-N-[(2-thenoylamino)thiocarbamoyl]benz...) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)NC(=S)NNC(=O)c1cccs1 Show InChI InChI=1S/C17H19N3O2S2/c1-17(2,3)12-8-6-11(7-9-12)14(21)18-16(23)20-19-15(22)13-5-4-10-24-13/h4-10H,1-3H3,(H,19,22)(H2,18,20,21,23)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	168	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) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q28S4NBW
					More data for this Ligand-Target Pair