Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein phosphatase non-receptor type 22' and Ligand = 'BDBM50393461'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Tyrosine-protein phosphatase non-receptor type 22 (Homo sapiens (Human))	BDBM50393461 (CHEMBL2159938) Show SMILES CC(C)c1ccc(CN(Cc2ccccc2)C(c2nnnn2C2CCCC2)c2cc3cc(C)ccc3[nH]c2=O)cc1 Show InChI InChI=1S/C34H38N6O/c1-23(2)27-16-14-26(15-17-27)22-39(21-25-9-5-4-6-10-25)32(33-36-37-38-40(33)29-11-7-8-12-29)30-20-28-19-24(3)13-18-31(28)35-34(30)41/h4-6,9-10,13-20,23,29,32H,7-8,11-12,21-22H2,1-3H3,(H,35,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.16E+3	n/a	n/a	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 increasing levels of ARLIED-NEpYTAREG 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))	BDBM50393461 (CHEMBL2159938) Show SMILES CC(C)c1ccc(CN(Cc2ccccc2)C(c2nnnn2C2CCCC2)c2cc3cc(C)ccc3[nH]c2=O)cc1 Show InChI InChI=1S/C34H38N6O/c1-23(2)27-16-14-26(15-17-27)22-39(21-25-9-5-4-6-10-25)32(33-36-37-38-40(33)29-11-7-8-12-29)30-20-28-19-24(3)13-18-31(28)35-34(30)41/h4-6,9-10,13-20,23,29,32H,7-8,11-12,21-22H2,1-3H3,(H,35,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.07E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Noncompetitive inhibition of LYP expressed in Escherichia coli BL21 using increasing levels of ARLIED-NEpYTAREG 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))	BDBM50393461 (CHEMBL2159938) Show SMILES CC(C)c1ccc(CN(Cc2ccccc2)C(c2nnnn2C2CCCC2)c2cc3cc(C)ccc3[nH]c2=O)cc1 Show InChI InChI=1S/C34H38N6O/c1-23(2)27-16-14-26(15-17-27)22-39(21-25-9-5-4-6-10-25)32(33-36-37-38-40(33)29-11-7-8-12-29)30-20-28-19-24(3)13-18-31(28)35-34(30)41/h4-6,9-10,13-20,23,29,32H,7-8,11-12,21-22H2,1-3H3,(H,35,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.28E+3	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