Compile Data Set for Download or QSAR

Found 4 hits with Last Name = 'villalobos-molina' and Initial = 'r'   

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))	BDBM50241428 (CHEMBL401612 | N-(6-Methyl-1,3-benzothiazol-2-yl)-...) Show SMILES Cc1ccc2nc(NS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)sc2c1 Show InChI InChI=1S/C14H11N3O4S2/c1-9-2-7-12-13(8-9)22-14(15-12)16-23(20,21)11-5-3-10(4-6-11)17(18)19/h2-8H,1H3,(H,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Autónoma del Estado de Morelos Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B expressed in Escherichia coli TB1 by double reciprocal plot analysis				Bioorg Med Chem 17: 3332-41 (2009) Article DOI: 10.1016/j.bmc.2009.03.042 BindingDB Entry DOI: 10.7270/Q2JQ10X9
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50241429 (CHEMBL401525 | N-(6-Ethoxy-1,3-benzothiazol-2-yl)-...) Show SMILES CCOc1ccc2nc(NS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)sc2c1 Show InChI InChI=1S/C15H13N3O5S2/c1-2-23-11-5-8-13-14(9-11)24-15(16-13)17-25(21,22)12-6-3-10(4-7-12)18(19)20/h3-9H,2H2,1H3,(H,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	2.04E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Autónoma del Estado de Morelos Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B expressed in Escherichia coli TB1 by double reciprocal plot analysis				Bioorg Med Chem 17: 3332-41 (2009) Article DOI: 10.1016/j.bmc.2009.03.042 BindingDB Entry DOI: 10.7270/Q2JQ10X9
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50241428 (CHEMBL401612 | N-(6-Methyl-1,3-benzothiazol-2-yl)-...) Show SMILES Cc1ccc2nc(NS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)sc2c1 Show InChI InChI=1S/C14H11N3O4S2/c1-9-2-7-12-13(8-9)22-14(15-12)16-23(20,21)11-5-3-10(4-6-11)17(18)19/h2-8H,1H3,(H,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.95E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Autónoma del Estado de Morelos Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B expressed in Escherichia coli TB1 assessed as residual activity				Bioorg Med Chem 17: 3332-41 (2009) Article DOI: 10.1016/j.bmc.2009.03.042 BindingDB Entry DOI: 10.7270/Q2JQ10X9
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50241429 (CHEMBL401525 | N-(6-Ethoxy-1,3-benzothiazol-2-yl)-...) Show SMILES CCOc1ccc2nc(NS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)sc2c1 Show InChI InChI=1S/C15H13N3O5S2/c1-2-23-11-5-8-13-14(9-11)24-15(16-13)17-25(21,22)12-6-3-10(4-7-12)18(19)20/h3-9H,2H2,1H3,(H,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Autónoma del Estado de Morelos Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B expressed in Escherichia coli TB1 assessed as residual activity				Bioorg Med Chem 17: 3332-41 (2009) Article DOI: 10.1016/j.bmc.2009.03.042 BindingDB Entry DOI: 10.7270/Q2JQ10X9
					More data for this Ligand-Target Pair