BDBM88731 3-[[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-5-nitro-benzoic acid methyl ester::3-nitro-5-[oxo-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)amino]methyl]benzoic acid methyl ester::MLS000579956::SMR000199197::cid_2162931::methyl 3-({[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]amino}carbonyl)-5-nitrobenzoate::methyl 3-nitro-5-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoate

SMILES: CCC(CC)c1nnc(NC(=O)c2cc(cc(c2)[N+]([O-])=O)C(=O)OC)s1

InChI Key: InChIKey=VBGVKRUKRLRNQA-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 88731   

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
tyrosine-protein phosphatase non-receptor type 5 isoform a (Homo sapiens (Human))	BDBM88731 (3-[[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]carbam...) Show SMILES CCC(CC)c1nnc(NC(=O)c2cc(cc(c2)[N+]([O-])=O)C(=O)OC)s1 Show InChI InChI=1S/C16H18N4O5S/c1-4-9(5-2)14-18-19-16(26-14)17-13(21)10-6-11(15(22)25-3)8-12(7-10)20(23)24/h6-9H,4-5H2,1-3H3,(H,17,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	8.62E+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 (2012) BindingDB Entry DOI: 10.7270/Q2DV1HGT
					More data for this Ligand-Target Pair
Dual specificity protein phosphatase (VHR) (Homo sapiens (Human))	BDBM88731 (3-[[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]carbam...) Show SMILES CCC(CC)c1nnc(NC(=O)c2cc(cc(c2)[N+]([O-])=O)C(=O)OC)s1 Show InChI InChI=1S/C16H18N4O5S/c1-4-9(5-2)14-18-19-16(26-14)17-13(21)10-6-11(15(22)25-3)8-12(7-10)20(23)24/h6-9H,4-5H2,1-3H3,(H,17,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	567	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 (2012) BindingDB Entry DOI: 10.7270/Q2959G44
					More data for this Ligand-Target Pair
Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP (Homo sapiens (Human))	BDBM88731 (3-[[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]carbam...) Show SMILES CCC(CC)c1nnc(NC(=O)c2cc(cc(c2)[N+]([O-])=O)C(=O)OC)s1 Show InChI InChI=1S/C16H18N4O5S/c1-4-9(5-2)14-18-19-16(26-14)17-13(21)10-6-11(15(22)25-3)8-12(7-10)20(23)24/h6-9H,4-5H2,1-3H3,(H,17,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	7.56E+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 (2012) BindingDB Entry DOI: 10.7270/Q2FQ9V6B
					More data for this Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 5 isoform a (Homo sapiens (Human))	BDBM88731 (3-[[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]carbam...) Show SMILES CCC(CC)c1nnc(NC(=O)c2cc(cc(c2)[N+]([O-])=O)C(=O)OC)s1 Show InChI InChI=1S/C16H18N4O5S/c1-4-9(5-2)14-18-19-16(26-14)17-13(21)10-6-11(15(22)25-3)8-12(7-10)20(23)24/h6-9H,4-5H2,1-3H3,(H,17,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.18E+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 (2012) BindingDB Entry DOI: 10.7270/Q2KH0KWR
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM88731 (3-[[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]carbam...) Show SMILES CCC(CC)c1nnc(NC(=O)c2cc(cc(c2)[N+]([O-])=O)C(=O)OC)s1 Show InChI InChI=1S/C16H18N4O5S/c1-4-9(5-2)14-18-19-16(26-14)17-13(21)10-6-11(15(22)25-3)8-12(7-10)20(23)24/h6-9H,4-5H2,1-3H3,(H,17,19,21)	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	2.28E+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 (2012) BindingDB Entry DOI: 10.7270/Q2T43RPN
					More data for this Ligand-Target Pair