BDBM50393500 CHEMBL2159726

SMILES: Cc1ccc2cc(C#N)c(SCC(=O)NC3CCCCC3)nc2c1C

InChI Key: InChIKey=AKSPTEJLHZONPO-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50393500   

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
Hematopoietic protein-tyrosine phosphatase (HEPTP) (Homo sapiens (Human))	BDBM50393500 (CHEMBL2159726) Show SMILES Cc1ccc2cc(C#N)c(SCC(=O)NC3CCCCC3)nc2c1C Show InChI InChI=1S/C20H23N3OS/c1-13-8-9-15-10-16(11-21)20(23-19(15)14(13)2)25-12-18(24)22-17-6-4-3-5-7-17/h8-10,17H,3-7,12H2,1-2H3,(H,22,24)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL 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
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 (PTP-PEST) (Homo sapiens (Human))	BDBM50393500 (CHEMBL2159726) Show SMILES Cc1ccc2cc(C#N)c(SCC(=O)NC3CCCCC3)nc2c1C Show InChI InChI=1S/C20H23N3OS/c1-13-8-9-15-10-16(11-21)20(23-19(15)14(13)2)25-12-18(24)22-17-6-4-3-5-7-17/h8-10,17H,3-7,12H2,1-2H3,(H,22,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+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
Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP (Homo sapiens (Human))	BDBM50393500 (CHEMBL2159726) Show SMILES Cc1ccc2cc(C#N)c(SCC(=O)NC3CCCCC3)nc2c1C Show InChI InChI=1S/C20H23N3OS/c1-13-8-9-15-10-16(11-21)20(23-19(15)14(13)2)25-12-18(24)22-17-6-4-3-5-7-17/h8-10,17H,3-7,12H2,1-2H3,(H,22,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.98E+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
Low molecular weight phosphotyrosine protein phosphatase (Homo sapiens (Human))	BDBM50393500 (CHEMBL2159726) Show SMILES Cc1ccc2cc(C#N)c(SCC(=O)NC3CCCCC3)nc2c1C Show InChI InChI=1S/C20H23N3OS/c1-13-8-9-15-10-16(11-21)20(23-19(15)14(13)2)25-12-18(24)22-17-6-4-3-5-7-17/h8-10,17H,3-7,12H2,1-2H3,(H,22,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.53E+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