Compile Data Set for Download or QSAR

Found 21 hits with Last Name = 'onaran' and Initial = 'mb'   

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))	BDBM50102186 ((Difluoro-phenyl-methyl)-phosphonic acid | CHEMBL5...) Show SMILES OP(O)(=O)C(F)(F)c1ccccc1 Show InChI InChI=1S/C7H7F2O3P/c8-7(9,13(10,11)12)6-4-2-1-3-5-6/h1-5H,(H2,10,11,12)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Brown University Curated by ChEMBL					Assay Description Inhibitory activity against Yersinia Protein-tyrosine phosphatase 1B				Bioorg Med Chem Lett 11: 1935-8 (2001) BindingDB Entry DOI: 10.7270/Q23B5ZDV
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50102187 (CHEMBL299446 | Furan-2-yl-oxo-acetic acid) Show SMILES OC(=O)C(=O)c1ccco1 Show InChI InChI=1S/C6H4O4/c7-5(6(8)9)4-2-1-3-10-4/h1-3H,(H,8,9)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	PubMed	7.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Brown University Curated by ChEMBL					Assay Description Inhibitory activity against Yersinia Protein-tyrosine phosphatase 1B				Bioorg Med Chem Lett 11: 1935-8 (2001) BindingDB Entry DOI: 10.7270/Q23B5ZDV
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50075312 ((Difluoro-naphthalen-2-yl-methyl)-phosphonic acid ...) Show SMILES OP(O)(=O)C(F)(F)c1ccc2ccccc2c1 Show InChI InChI=1S/C11H9F2O3P/c12-11(13,17(14,15)16)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H2,14,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.79E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Brown University Curated by ChEMBL					Assay Description Inhibitory activity against Yersinia Protein-tyrosine phosphatase 1B				Bioorg Med Chem Lett 11: 1935-8 (2001) BindingDB Entry DOI: 10.7270/Q23B5ZDV
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50102180 (CHEMBL57978 | Furan-2-yl-hydroxy-acetic acid | cid...) Show SMILES OC(C(O)=O)c1ccco1 Show InChI InChI=1S/C6H6O4/c7-5(6(8)9)4-2-1-3-10-4/h1-3,5,7H,(H,8,9)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents	PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Brown University Curated by ChEMBL					Assay Description Inhibitory activity against Yersinia Protein-tyrosine phosphatase 1B				Bioorg Med Chem Lett 11: 1935-8 (2001) BindingDB Entry DOI: 10.7270/Q23B5ZDV
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50102177 ((4-Methoxy-phenyl)-oxo-acetic acid | CHEMBL56976) Show SMILES COc1ccc(cc1)C(=O)C(O)=O Show InChI InChI=1S/C9H8O4/c1-13-7-4-2-6(3-5-7)8(10)9(11)12/h2-5H,1H3,(H,11,12)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Brown University Curated by ChEMBL					Assay Description Inhibitory activity against Yersinia Protein-tyrosine phosphatase 1B				Bioorg Med Chem Lett 11: 1935-8 (2001) BindingDB Entry DOI: 10.7270/Q23B5ZDV
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50102173 (CHEMBL61148 | Naphthalen-2-yl-oxo-acetic acid) Show SMILES OC(=O)C(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C12H8O3/c13-11(12(14)15)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.90E+5	n/a	n/a	n/a	n/a	n/a	n/a
Brown University Curated by ChEMBL					Assay Description Inhibitory activity against Yersinia Protein-tyrosine phosphatase 1B				Bioorg Med Chem Lett 11: 1935-8 (2001) BindingDB Entry DOI: 10.7270/Q23B5ZDV
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50102175 (2-Fluoro-2-(naphthalen-2-yloxy)-malonic acid | CHE...) Show SMILES OC(=O)C(F)(Oc1ccc2ccccc2c1)C(O)=O Show InChI InChI=1S/C13H9FO5/c14-13(11(15)16,12(17)18)19-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,15,16)(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
Brown University Curated by ChEMBL					Assay Description Inhibitory activity against Yersinia Protein-tyrosine phosphatase 1B				Bioorg Med Chem Lett 11: 1935-8 (2001) BindingDB Entry DOI: 10.7270/Q23B5ZDV
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50102183 ((1H-Indol-3-yl)-oxo-acetic acid | CHEMBL57285 | in...) Show SMILES OC(=O)C(=O)c1c[nH]c2ccccc12 Show InChI InChI=1S/C10H7NO3/c12-9(10(13)14)7-5-11-8-4-2-1-3-6(7)8/h1-5,11H,(H,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.90E+5	n/a	n/a	n/a	n/a	n/a	n/a
Brown University Curated by ChEMBL					Assay Description Inhibitory activity against Yersinia Protein-tyrosine phosphatase 1B				Bioorg Med Chem Lett 11: 1935-8 (2001) BindingDB Entry DOI: 10.7270/Q23B5ZDV
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50102185 (CHEMBL59596 | Difluoro-naphthalen-2-yl-acetic acid) Show SMILES OC(=O)C(F)(F)c1ccc2ccccc2c1 Show InChI InChI=1S/C12H8F2O2/c13-12(14,11(15)16)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.40E+5	n/a	n/a	n/a	n/a	n/a	n/a
Brown University Curated by ChEMBL					Assay Description Inhibitory activity against Yersinia Protein-tyrosine phosphatase 1B				Bioorg Med Chem Lett 11: 1935-8 (2001) BindingDB Entry DOI: 10.7270/Q23B5ZDV
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50102189 (CHEMBL59106 | Oxo-pentafluorophenyl-acetic acid) Show SMILES OC(=O)C(=O)c1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C8HF5O3/c9-2-1(7(14)8(15)16)3(10)5(12)6(13)4(2)11/h(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	PubMed	n/a	n/a	7.90E+5	n/a	n/a	n/a	n/a	n/a	n/a
Brown University Curated by ChEMBL					Assay Description Inhibitory activity against Yersinia Protein-tyrosine phosphatase 1B				Bioorg Med Chem Lett 11: 1935-8 (2001) BindingDB Entry DOI: 10.7270/Q23B5ZDV
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50102179 (CHEMBL294445 | Oxo-thiophen-2-yl-acetic acid) Show SMILES OC(=O)C(=O)c1cccs1 Show InChI InChI=1S/C6H4O3S/c7-5(6(8)9)4-2-1-3-10-4/h1-3H,(H,8,9)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	PubMed	n/a	n/a	9.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Brown University Curated by ChEMBL					Assay Description Inhibitory activity against Yersinia Protein-tyrosine phosphatase 1B				Bioorg Med Chem Lett 11: 1935-8 (2001) BindingDB Entry DOI: 10.7270/Q23B5ZDV
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50102181 (2-Oxalyl-benzoic acid | CHEMBL300586) Show SMILES OC(=O)C(=O)c1ccccc1C(O)=O Show InChI InChI=1S/C9H6O5/c10-7(9(13)14)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,11,12)(H,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.50E+6	n/a	n/a	n/a	n/a	n/a	n/a
Brown University Curated by ChEMBL					Assay Description Inhibitory activity against Yersinia Protein-tyrosine phosphatase 1B				Bioorg Med Chem Lett 11: 1935-8 (2001) BindingDB Entry DOI: 10.7270/Q23B5ZDV
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50102188 ((3,4-Dimethoxy-phenyl)-oxo-acetic acid | CHEMBL301...) Show SMILES COc1ccc(cc1OC)C(=O)C(O)=O Show InChI InChI=1S/C10H10O5/c1-14-7-4-3-6(5-8(7)15-2)9(11)10(12)13/h3-5H,1-2H3,(H,12,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	1.70E+6	n/a	n/a	n/a	n/a	n/a	n/a
Brown University Curated by ChEMBL					Assay Description Inhibitory activity against Yersinia Protein-tyrosine phosphatase 1B				Bioorg Med Chem Lett 11: 1935-8 (2001) BindingDB Entry DOI: 10.7270/Q23B5ZDV
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50102184 (4-Oxalyl-benzoic acid methyl ester | CHEMBL58860) Show SMILES COC(=O)c1ccc(cc1)C(=O)C(O)=O Show InChI InChI=1S/C10H8O5/c1-15-10(14)7-4-2-6(3-5-7)8(11)9(12)13/h2-5H,1H3,(H,12,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	2.30E+6	n/a	n/a	n/a	n/a	n/a	n/a
Brown University Curated by ChEMBL					Assay Description Inhibitory activity against Yersinia Protein-tyrosine phosphatase 1B				Bioorg Med Chem Lett 11: 1935-8 (2001) BindingDB Entry DOI: 10.7270/Q23B5ZDV
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50102176 ((4-Nitro-phenyl)-oxo-acetic acid | CHEMBL60864) Show SMILES OC(=O)C(=O)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C8H5NO5/c10-7(8(11)12)5-1-3-6(4-2-5)9(13)14/h1-4H,(H,11,12)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	PubMed	n/a	n/a	2.70E+6	n/a	n/a	n/a	n/a	n/a	n/a
Brown University Curated by ChEMBL					Assay Description Inhibitory activity against Yersinia Protein-tyrosine phosphatase 1B				Bioorg Med Chem Lett 11: 1935-8 (2001) BindingDB Entry DOI: 10.7270/Q23B5ZDV
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50102174 (2-oxo-2-phenylacetic acid | 2-phenylethanoic acid ...) Show SMILES OC(=O)C(=O)c1ccccc1 Show InChI InChI=1S/C8H6O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5H,(H,10,11)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	2.70E+6	n/a	n/a	n/a	n/a	n/a	n/a
Brown University Curated by ChEMBL					Assay Description Inhibitory activity against Yersinia Protein-tyrosine phosphatase 1B				Bioorg Med Chem Lett 11: 1935-8 (2001) BindingDB Entry DOI: 10.7270/Q23B5ZDV
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50102178 (CHEMBL435179 | Hydroxy-naphthalen-2-yl-acetic acid) Show SMILES OC(C(O)=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C12H10O3/c13-11(12(14)15)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11,13H,(H,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.30E+6	n/a	n/a	n/a	n/a	n/a	n/a
Brown University Curated by ChEMBL					Assay Description Inhibitory activity against Yersinia Protein-tyrosine phosphatase 1B				Bioorg Med Chem Lett 11: 1935-8 (2001) BindingDB Entry DOI: 10.7270/Q23B5ZDV
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM16431 (2-(naphthalen-2-yl)acetic acid | 2-Napthylacetic a...) Show SMILES OC(=O)Cc1ccc2ccccc2c1 Show InChI InChI=1S/C12H10O2/c13-12(14)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2,(H,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	3.50E+6	n/a	n/a	n/a	n/a	n/a	n/a
Brown University Curated by ChEMBL					Assay Description Inhibitory activity against Yersinia Protein-tyrosine phosphatase 1B				Bioorg Med Chem Lett 11: 1935-8 (2001) BindingDB Entry DOI: 10.7270/Q23B5ZDV
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM16420 ((2S)-2-hydroxy-2-phenylacetic acid | CHEMBL58910 |...) Show SMILES O[C@H](C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/t7-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	4.90E+6	n/a	n/a	n/a	n/a	n/a	n/a
Brown University Curated by ChEMBL					Assay Description Inhibitory activity against Yersinia Protein-tyrosine phosphatase 1B				Bioorg Med Chem Lett 11: 1935-8 (2001) BindingDB Entry DOI: 10.7270/Q23B5ZDV
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM16421 ((2R)-2-hydroxy-2-phenylacetic acid | CHEMBL292411 ...) Show SMILES O[C@@H](C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/t7-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	5.50E+6	n/a	n/a	n/a	n/a	n/a	n/a
Brown University Curated by ChEMBL					Assay Description Inhibitory activity against Yersinia Protein-tyrosine phosphatase 1B				Bioorg Med Chem Lett 11: 1935-8 (2001) BindingDB Entry DOI: 10.7270/Q23B5ZDV
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50102182 (CHEMBL58565 | Hydroxy-(4-methoxy-phenyl)-acetic ac...) Show SMILES COc1ccc(cc1)C(O)C(O)=O Show InChI InChI=1S/C9H10O4/c1-13-7-4-2-6(3-5-7)8(10)9(11)12/h2-5,8,10H,1H3,(H,11,12)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents	PubMed	n/a	n/a	5.70E+6	n/a	n/a	n/a	n/a	n/a	n/a
Brown University Curated by ChEMBL					Assay Description Inhibitory activity against Yersinia Protein-tyrosine phosphatase 1B				Bioorg Med Chem Lett 11: 1935-8 (2001) BindingDB Entry DOI: 10.7270/Q23B5ZDV
					More data for this Ligand-Target Pair