BDBM50393440 CHEMBL2159498

SMILES: CC(=O)c1cc(c(Sc2ccc(F)cc2F)s1)[N+]([O-])=O

InChI Key: InChIKey=RMAMGGNACJHXHO-UHFFFAOYSA-N

Data: 2 IC50  3 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 = 50393440   

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
Ubiquitin carboxyl-terminal hydrolase 7 (Homo sapiens (Human))	BDBM50393440 (CHEMBL2159498) Show SMILES CC(=O)c1cc(c(Sc2ccc(F)cc2F)s1)[N+]([O-])=O Show InChI InChI=1S/C12H7F2NO3S2/c1-6(16)11-5-9(15(17)18)12(20-11)19-10-3-2-7(13)4-8(10)14/h2-5H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant USP7 expressed in Sf9 cells by Ub-CHOP reporter assay				ACS Med Chem Lett 3: 789-792 (2012) Article DOI: 10.1021/ml200276j BindingDB Entry DOI: 10.7270/Q2154J51
					More data for this Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 47 (Homo sapiens (Human))	BDBM50393440 (CHEMBL2159498) Show SMILES CC(=O)c1cc(c(Sc2ccc(F)cc2F)s1)[N+]([O-])=O Show InChI InChI=1S/C12H7F2NO3S2/c1-6(16)11-5-9(15(17)18)12(20-11)19-10-3-2-7(13)4-8(10)14/h2-5H,1H3	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	8.70E+3	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of USP47 by Ub-CHOP reporter assay				ACS Med Chem Lett 3: 789-792 (2012) Article DOI: 10.1021/ml200276j BindingDB Entry DOI: 10.7270/Q2154J51
					More data for this Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7 (Homo sapiens (Human))	BDBM50393440 (CHEMBL2159498) Show SMILES CC(=O)c1cc(c(Sc2ccc(F)cc2F)s1)[N+]([O-])=O Show InChI InChI=1S/C12H7F2NO3S2/c1-6(16)11-5-9(15(17)18)12(20-11)19-10-3-2-7(13)4-8(10)14/h2-5H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Progenra, Inc. Curated by ChEMBL					Assay Description Inhibition of full-length recombinant USP7 (unknown origin) expressed in Sf9 cells using Ub-EKL as substrate preincubated for 30 mins followed by sub...				J Med Chem 61: 422-443 (2018) Article DOI: 10.1021/acs.jmedchem.7b00498 BindingDB Entry DOI: 10.7270/Q2CR5WVG
					More data for this Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7 (Homo sapiens (Human))	BDBM50393440 (CHEMBL2159498) Show SMILES CC(=O)c1cc(c(Sc2ccc(F)cc2F)s1)[N+]([O-])=O Show InChI InChI=1S/C12H7F2NO3S2/c1-6(16)11-5-9(15(17)18)12(20-11)19-10-3-2-7(13)4-8(10)14/h2-5H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.93E+4	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of USP7 (unknown origin) using Ub-Rho as substrate preincubated for 30 mins followed by substrate addition and subsequent incubation in da...				Bioorg Med Chem Lett 27: 845-849 (2017) BindingDB Entry DOI: 10.7270/Q20Z75HQ
					More data for this Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7 (Homo sapiens (Human))	BDBM50393440 (CHEMBL2159498) Show SMILES CC(=O)c1cc(c(Sc2ccc(F)cc2F)s1)[N+]([O-])=O Show InChI InChI=1S/C12H7F2NO3S2/c1-6(16)11-5-9(15(17)18)12(20-11)19-10-3-2-7(13)4-8(10)14/h2-5H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of USP7 (unknown origin) by Ub-CHOP reporter assay				J Med Chem 58: 1581-95 (2015) Article DOI: 10.1021/jm501061a BindingDB Entry DOI: 10.7270/Q29025GH
					More data for this Ligand-Target Pair