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 = 'BDBM50487803'   

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))	BDBM50487803 (CHEMBL2262830) Show SMILES COc1cc(CC(NC(=O)C[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)C(O)=O)cc(OC)c1 |r,t:20| Show InChI InChI=1S/C42H63NO6/c1-37(2)16-18-42(25-35(45)43-31(36(46)47)22-26-20-27(48-8)23-28(21-26)49-9)19-17-40(6)29(30(42)24-37)10-11-33-39(5)14-13-34(44)38(3,4)32(39)12-15-41(33,40)7/h10,20-21,23,30-34,44H,11-19,22,24-25H2,1-9H3,(H,43,45)(H,46,47)/t30-,31?,32-,33+,34-,39-,40+,41+,42+/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	630	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))	BDBM50487803 (CHEMBL2262830) Show SMILES COc1cc(CC(NC(=O)C[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)C(O)=O)cc(OC)c1 |r,t:20| Show InChI InChI=1S/C42H63NO6/c1-37(2)16-18-42(25-35(45)43-31(36(46)47)22-26-20-27(48-8)23-28(21-26)49-9)19-17-40(6)29(30(42)24-37)10-11-33-39(5)14-13-34(44)38(3,4)32(39)12-15-41(33,40)7/h10,20-21,23,30-34,44H,11-19,22,24-25H2,1-9H3,(H,43,45)(H,46,47)/t30-,31?,32-,33+,34-,39-,40+,41+,42+/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	630	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