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 = 'BDBM50487825'   

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))	BDBM50487825 (CHEMBL2263109) Show SMILES CC1(C)CC[C@]2(CC(=O)NC(CC3=CCc4ccccc34)C(O)=O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1 |r,c:30,t:12| Show InChI InChI=1S/C43H61NO4/c1-38(2)20-22-43(26-36(46)44-32(37(47)48)24-28-13-12-27-10-8-9-11-29(27)28)23-21-41(6)30(31(43)25-38)14-15-34-40(5)18-17-35(45)39(3,4)33(40)16-19-42(34,41)7/h8-11,13-14,31-35,45H,12,15-26H2,1-7H3,(H,44,46)(H,47,48)/t31-,32?,33-,34+,35-,40-,41+,42+,43+/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	590	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))	BDBM50487825 (CHEMBL2263109) Show SMILES CC1(C)CC[C@]2(CC(=O)NC(CC3=CCc4ccccc34)C(O)=O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1 |r,c:30,t:12| Show InChI InChI=1S/C43H61NO4/c1-38(2)20-22-43(26-36(46)44-32(37(47)48)24-28-13-12-27-10-8-9-11-29(27)28)23-21-41(6)30(31(43)25-38)14-15-34-40(5)18-17-35(45)39(3,4)33(40)16-19-42(34,41)7/h8-11,13-14,31-35,45H,12,15-26H2,1-7H3,(H,44,46)(H,47,48)/t31-,32?,33-,34+,35-,40-,41+,42+,43+/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	590	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