BDBM31764 MLS-0005454.0001::N-(5-amyl-1,3,4-thiadiazol-2-yl)-2-(2-thienyl)acetamide::N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-yl-ethanamide::N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide::cid_2207086

SMILES: CCCCCc1nnc(NC(=O)Cc2cccs2)s1

InChI Key: InChIKey=XEVBHUZWDDQBDC-UHFFFAOYSA-N

Data: 9 IC50

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 9 hits for monomerid = 31764   

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
MKP-3 (Rattus norvegicus)	BDBM31764 (MLS-0005454.0001 | N-(5-amyl-1,3,4-thiadiazol-2-yl...) Show SMILES CCCCCc1nnc(NC(=O)Cc2cccs2)s1 Show InChI InChI=1S/C13H17N3OS2/c1-2-3-4-7-12-15-16-13(19-12)14-11(17)9-10-6-5-8-18-10/h5-6,8H,2-4,7,9H2,1H3,(H,14,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	1.72E+4	n/a	n/a	n/a	n/a	7.0	23
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Burnham Institute for Medical Research (BIMR, La Jolla, CA) Network: NIH...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2N87841
					More data for this Ligand-Target Pair
MKP-3 (Rattus norvegicus)	BDBM31764 (MLS-0005454.0001 | N-(5-amyl-1,3,4-thiadiazol-2-yl...) Show SMILES CCCCCc1nnc(NC(=O)Cc2cccs2)s1 Show InChI InChI=1S/C13H17N3OS2/c1-2-3-4-7-12-15-16-13(19-12)14-11(17)9-10-6-5-8-18-10/h5-6,8H,2-4,7,9H2,1H3,(H,14,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	2.14E+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, CA...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q25H7DPX
					More data for this Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver (Homo sapiens (Human))	BDBM31764 (MLS-0005454.0001 | N-(5-amyl-1,3,4-thiadiazol-2-yl...) Show SMILES CCCCCc1nnc(NC(=O)Cc2cccs2)s1 Show InChI InChI=1S/C13H17N3OS2/c1-2-3-4-7-12-15-16-13(19-12)14-11(17)9-10-6-5-8-18-10/h5-6,8H,2-4,7,9H2,1H3,(H,14,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	9.86E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-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 (2008) BindingDB Entry DOI: 10.7270/Q289148T
					More data for this Ligand-Target Pair
nuclear receptor subfamily 4, group A, member 1 (Homo sapiens (Human))	BDBM31764 (MLS-0005454.0001 | N-(5-amyl-1,3,4-thiadiazol-2-yl...) Show SMILES CCCCCc1nnc(NC(=O)Cc2cccs2)s1 Show InChI InChI=1S/C13H17N3OS2/c1-2-3-4-7-12-15-16-13(19-12)14-11(17)9-10-6-5-8-18-10/h5-6,8H,2-4,7,9H2,1H3,(H,14,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q29C6VTK
					More data for this Ligand-Target Pair
carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 isoform 1 (Homo sapiens (Human))	BDBM31764 (MLS-0005454.0001 | N-(5-amyl-1,3,4-thiadiazol-2-yl...) Show SMILES CCCCCc1nnc(NC(=O)Cc2cccs2)s1 Show InChI InChI=1S/C13H17N3OS2/c1-2-3-4-7-12-15-16-13(19-12)14-11(17)9-10-6-5-8-18-10/h5-6,8H,2-4,7,9H2,1H3,(H,14,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	3.73E+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 (2011) BindingDB Entry DOI: 10.7270/Q2V986KM
					More data for this Ligand-Target Pair
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM31764 (MLS-0005454.0001 | N-(5-amyl-1,3,4-thiadiazol-2-yl...) Show SMILES CCCCCc1nnc(NC(=O)Cc2cccs2)s1 Show InChI InChI=1S/C13H17N3OS2/c1-2-3-4-7-12-15-16-13(19-12)14-11(17)9-10-6-5-8-18-10/h5-6,8H,2-4,7,9H2,1H3,(H,14,16,17)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	5.00E+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: John A. Katzenellenbogen, ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2CF9NHH
					More data for this Ligand-Target Pair
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM31764 (MLS-0005454.0001 | N-(5-amyl-1,3,4-thiadiazol-2-yl...) Show SMILES CCCCCc1nnc(NC(=O)Cc2cccs2)s1 Show InChI InChI=1S/C13H17N3OS2/c1-2-3-4-7-12-15-16-13(19-12)14-11(17)9-10-6-5-8-18-10/h5-6,8H,2-4,7,9H2,1H3,(H,14,16,17)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	1.56E+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: John A. Katzenellenbogen, ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2WD3Z0J
					More data for this Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP) (Homo sapiens (Human))	BDBM31764 (MLS-0005454.0001 | N-(5-amyl-1,3,4-thiadiazol-2-yl...) Show SMILES CCCCCc1nnc(NC(=O)Cc2cccs2)s1 Show InChI InChI=1S/C13H17N3OS2/c1-2-3-4-7-12-15-16-13(19-12)14-11(17)9-10-6-5-8-18-10/h5-6,8H,2-4,7,9H2,1H3,(H,14,16,17)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	490	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 (2008) BindingDB Entry DOI: 10.7270/Q2RJ4GWX
					More data for this Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP) (Homo sapiens (Human))	BDBM31764 (MLS-0005454.0001 | N-(5-amyl-1,3,4-thiadiazol-2-yl...) Show SMILES CCCCCc1nnc(NC(=O)Cc2cccs2)s1 Show InChI InChI=1S/C13H17N3OS2/c1-2-3-4-7-12-15-16-13(19-12)14-11(17)9-10-6-5-8-18-10/h5-6,8H,2-4,7,9H2,1H3,(H,14,16,17)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	3.50E+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 (2009) BindingDB Entry DOI: 10.7270/Q2474894
					More data for this Ligand-Target Pair