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SMILES: COc1ccc2cc(C#N)c(SCC(=O)Nc3cccc(C)c3C)nc2c1

InChI Key: InChIKey=NVUUGYOKMMIQSO-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50393493   

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
Low molecular weight phosphotyrosine protein phosphatase (Homo sapiens (Human))	BDBM50393493 (CHEMBL2159934) Show SMILES COc1ccc2cc(C#N)c(SCC(=O)Nc3cccc(C)c3C)nc2c1 Show InChI InChI=1S/C21H19N3O2S/c1-13-5-4-6-18(14(13)2)23-20(25)12-27-21-16(11-22)9-15-7-8-17(26-3)10-19(15)24-21/h4-10H,12H2,1-3H3,(H,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibition of LMPTP-A expressed in Escherichia coli BL21 using pNPP substrate				J Med Chem 54: 1640-54 (2011) Article DOI: 10.1021/jm101202j BindingDB Entry DOI: 10.7270/Q2RN38Z0
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22 (Homo sapiens (Human))	BDBM50393493 (CHEMBL2159934) Show SMILES COc1ccc2cc(C#N)c(SCC(=O)Nc3cccc(C)c3C)nc2c1 Show InChI InChI=1S/C21H19N3O2S/c1-13-5-4-6-18(14(13)2)23-20(25)12-27-21-16(11-22)9-15-7-8-17(26-3)10-19(15)24-21/h4-10H,12H2,1-3H3,(H,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibition of LYP expressed in Escherichia coli BL21 using pNPP substrate				J Med Chem 54: 1640-54 (2011) Article DOI: 10.1021/jm101202j BindingDB Entry DOI: 10.7270/Q2RN38Z0
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 7 (Homo sapiens (Human))	BDBM50393493 (CHEMBL2159934) Show SMILES COc1ccc2cc(C#N)c(SCC(=O)Nc3cccc(C)c3C)nc2c1 Show InChI InChI=1S/C21H19N3O2S/c1-13-5-4-6-18(14(13)2)23-20(25)12-27-21-16(11-22)9-15-7-8-17(26-3)10-19(15)24-21/h4-10H,12H2,1-3H3,(H,23,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibition of HePTP expressed in Escherichia coli BL21 using pNPP substrate				J Med Chem 54: 1640-54 (2011) Article DOI: 10.1021/jm101202j BindingDB Entry DOI: 10.7270/Q2RN38Z0
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 12 (Homo sapiens (Human))	BDBM50393493 (CHEMBL2159934) Show SMILES COc1ccc2cc(C#N)c(SCC(=O)Nc3cccc(C)c3C)nc2c1 Show InChI InChI=1S/C21H19N3O2S/c1-13-5-4-6-18(14(13)2)23-20(25)12-27-21-16(11-22)9-15-7-8-17(26-3)10-19(15)24-21/h4-10H,12H2,1-3H3,(H,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibition of PTP-PEST expressed in Escherichia coli BL21 using pNPP substrate				J Med Chem 54: 1640-54 (2011) Article DOI: 10.1021/jm101202j BindingDB Entry DOI: 10.7270/Q2RN38Z0
					More data for this Ligand-Target Pair