BDBM50393498 CHEMBL2159930

SMILES: Cc1ccc(NC(=O)CSc2nc3c(C)c(C)ccc3cc2C#N)cc1C

InChI Key: InChIKey=GDIWCMFHHHSOBA-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 = 50393498   

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 12 (PTP-PEST) (Homo sapiens (Human))	BDBM50393498 (CHEMBL2159930) Show SMILES Cc1ccc(NC(=O)CSc2nc3c(C)c(C)ccc3cc2C#N)cc1C Show InChI InChI=1S/C22H21N3OS/c1-13-6-8-19(9-15(13)3)24-20(26)12-27-22-18(11-23)10-17-7-5-14(2)16(4)21(17)25-22/h5-10H,12H2,1-4H3,(H,24,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.75E+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))	BDBM50393498 (CHEMBL2159930) Show SMILES Cc1ccc(NC(=O)CSc2nc3c(C)c(C)ccc3cc2C#N)cc1C Show InChI InChI=1S/C22H21N3OS/c1-13-6-8-19(9-15(13)3)24-20(26)12-27-22-18(11-23)10-17-7-5-14(2)16(4)21(17)25-22/h5-10H,12H2,1-4H3,(H,24,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.66E+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))	BDBM50393498 (CHEMBL2159930) Show SMILES Cc1ccc(NC(=O)CSc2nc3c(C)c(C)ccc3cc2C#N)cc1C Show InChI InChI=1S/C22H21N3OS/c1-13-6-8-19(9-15(13)3)24-20(26)12-27-22-18(11-23)10-17-7-5-14(2)16(4)21(17)25-22/h5-10H,12H2,1-4H3,(H,24,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.33E+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
Hematopoietic protein-tyrosine phosphatase (HEPTP) (Homo sapiens (Human))	BDBM50393498 (CHEMBL2159930) Show SMILES Cc1ccc(NC(=O)CSc2nc3c(C)c(C)ccc3cc2C#N)cc1C Show InChI InChI=1S/C22H21N3OS/c1-13-6-8-19(9-15(13)3)24-20(26)12-27-22-18(11-23)10-17-7-5-14(2)16(4)21(17)25-22/h5-10H,12H2,1-4H3,(H,24,26)	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	2.00E+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