Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for entry = 50011925   

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))	BDBM50112100 (CHEMBL51202 | [4-[2-(2-tert-Butoxycarbonylamino-3-...) Show SMILES CCCCCNC(=O)[C@H](Cc1ccc(OCC(O)=O)c(c1)-c1nnn[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C31H41N7O7/c1-5-6-10-15-32-28(41)23(18-21-13-14-25(44-19-26(39)40)22(16-21)27-35-37-38-36-27)33-29(42)24(17-20-11-8-7-9-12-20)34-30(43)45-31(2,3)4/h7-9,11-14,16,23-24H,5-6,10,15,17-19H2,1-4H3,(H,32,41)(H,33,42)(H,34,43)(H,39,40)(H,35,36,37,38)/t23-,24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Inhibitory constant of the compound against Protein-tyrosine phosphatase 1B				J Med Chem 45: 1785-98 (2002) BindingDB Entry DOI: 10.7270/Q27D2TFF
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50112101 (5-[2-(2-tert-Butoxycarbonylamino-3-phenyl-propiony...) Show SMILES CCCCCNC(=O)[C@H](Cc1ccc(OCC(O)=O)c(c1)C(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C31H41N3O9/c1-5-6-10-15-32-27(37)23(18-21-13-14-25(42-19-26(35)36)22(16-21)29(39)40)33-28(38)24(17-20-11-8-7-9-12-20)34-30(41)43-31(2,3)4/h7-9,11-14,16,23-24H,5-6,10,15,17-19H2,1-4H3,(H,32,37)(H,33,38)(H,34,41)(H,35,36)(H,39,40)/t23-,24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	MMDB PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Inhibitory constant of the compound against Protein-tyrosine phosphatase 1B				J Med Chem 45: 1785-98 (2002) BindingDB Entry DOI: 10.7270/Q27D2TFF
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50112099 (2-Carboxymethoxy-5-[2-(3-carboxy-propionylamino)-2...) Show SMILES CCCCCNC(=O)C(Cc1ccc(OCC(O)=O)c(c1)C(O)=O)NC(=O)CCC(O)=O Show InChI InChI=1S/C21H28N2O9/c1-2-3-4-9-22-20(29)15(23-17(24)7-8-18(25)26)11-13-5-6-16(32-12-19(27)28)14(10-13)21(30)31/h5-6,10,15H,2-4,7-9,11-12H2,1H3,(H,22,29)(H,23,24)(H,25,26)(H,27,28)(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Percent inhibition of compound against Protein-tyrosine phosphatase 1B at a 65 microM concentration				J Med Chem 45: 1785-98 (2002) BindingDB Entry DOI: 10.7270/Q27D2TFF
					More data for this Ligand-Target Pair				3D Structure (docked)