Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein phosphatase non-receptor type 1' and Ligand = 'BDBM50487802'   

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 1 (Homo sapiens (Human))	BDBM50487802 (CHEMBL2263110) Show SMILES CSCCC(NC(=O)C[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(O)=O |r,t:18| Show InChI InChI=1S/C36H59NO4S/c1-31(2)16-18-36(22-29(39)37-25(30(40)41)13-20-42-8)19-17-34(6)23(24(36)21-31)9-10-27-33(5)14-12-28(38)32(3,4)26(33)11-15-35(27,34)7/h9,24-28,38H,10-22H2,1-8H3,(H,37,39)(H,40,41)/t24-,25?,26-,27+,28-,33-,34+,35+,36+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PTP1B (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-010-9529-5 BindingDB Entry DOI: 10.7270/Q2F76GFZ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50487802 (CHEMBL2263110) Show SMILES CSCCC(NC(=O)C[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(O)=O |r,t:18| Show InChI InChI=1S/C36H59NO4S/c1-31(2)16-18-36(22-29(39)37-25(30(40)41)13-20-42-8)19-17-34(6)23(24(36)21-31)9-10-27-33(5)14-12-28(38)32(3,4)26(33)11-15-35(27,34)7/h9,24-28,38H,10-22H2,1-8H3,(H,37,39)(H,40,41)/t24-,25?,26-,27+,28-,33-,34+,35+,36+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PTP1B (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-010-9529-5 BindingDB Entry DOI: 10.7270/Q2F76GFZ
					More data for this Ligand-Target Pair