Compile Data Set for Download or QSAR

Found 264 hits with Last Name = 'sawicki' and Initial = 'dr'   

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
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16485 (2-{6-methoxy-3-[(4,5,7-trifluoro-1,3-benzothiazol-...) Show SMILES COc1ccc2c(Cc3nc4c(F)c(F)cc(F)c4s3)cn(CC(O)=O)c2c1 Show InChI InChI=1S/C19H13F3N2O3S/c1-27-10-2-3-11-9(7-24(8-16(25)26)14(11)5-10)4-15-23-18-17(22)12(20)6-13(21)19(18)28-15/h2-3,5-7H,4,8H2,1H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
The Institute for Diabetes Discovery					Assay Description The activity of the test enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappear...				J Med Chem 48: 3141-52 (2005) Article DOI: 10.1021/jm0492094 BindingDB Entry DOI: 10.7270/Q2J38QSN
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16469 (2-{3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methy...) Show SMILES OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccccc12 Show InChI InChI=1S/C18H11F3N2O2S/c19-11-6-12(20)18-17(16(11)21)22-14(26-18)5-9-7-23(8-15(24)25)13-4-2-1-3-10(9)13/h1-4,6-7H,5,8H2,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	6.6	37
The Institute for Diabetes Discovery					Assay Description The activity of the test enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappear...				J Med Chem 48: 3141-52 (2005) Article DOI: 10.1021/jm0492094 BindingDB Entry DOI: 10.7270/Q2J38QSN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16491 (2-{7-methyl-3-[(4,5,7-trifluoro-1,3-benzothiazol-2...) Show SMILES Cc1cccc2c(Cc3nc4c(F)c(F)cc(F)c4s3)cn(CC(O)=O)c12 Show InChI InChI=1S/C19H13F3N2O2S/c1-9-3-2-4-11-10(7-24(18(9)11)8-15(25)26)5-14-23-17-16(22)12(20)6-13(21)19(17)27-14/h2-4,6-7H,5,8H2,1H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
The Institute for Diabetes Discovery					Assay Description The activity of the test enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappear...				J Med Chem 48: 3141-52 (2005) Article DOI: 10.1021/jm0492094 BindingDB Entry DOI: 10.7270/Q2J38QSN
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16488 (2-{7-fluoro-3-[(4,5,7-trifluoro-1,3-benzothiazol-2...) Show SMILES OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cccc(F)c12 Show InChI InChI=1S/C18H10F4N2O2S/c19-10-3-1-2-9-8(6-24(17(9)10)7-14(25)26)4-13-23-16-15(22)11(20)5-12(21)18(16)27-13/h1-3,5-6H,4,7H2,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
The Institute for Diabetes Discovery					Assay Description The activity of the test enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappear...				J Med Chem 48: 3141-52 (2005) Article DOI: 10.1021/jm0492094 BindingDB Entry DOI: 10.7270/Q2J38QSN
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16482 (2-{6-fluoro-3-[(4,5,7-trifluoro-1,3-benzothiazol-2...) Show SMILES OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccc(F)cc12 Show InChI InChI=1S/C18H10F4N2O2S/c19-9-1-2-10-8(6-24(7-15(25)26)13(10)4-9)3-14-23-17-16(22)11(20)5-12(21)18(17)27-14/h1-2,4-6H,3,7H2,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
The Institute for Diabetes Discovery					Assay Description The activity of the test enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappear...				J Med Chem 48: 3141-52 (2005) Article DOI: 10.1021/jm0492094 BindingDB Entry DOI: 10.7270/Q2J38QSN
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16481 (2-[5-(morpholin-4-yl)-3-[(4,5,7-trifluoro-1,3-benz...) Show SMILES OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cc(ccc12)N1CCOCC1 Show InChI InChI=1S/C22H18F3N3O3S/c23-15-9-16(24)22-21(20(15)25)26-18(32-22)7-12-10-28(11-19(29)30)17-2-1-13(8-14(12)17)27-3-5-31-6-4-27/h1-2,8-10H,3-7,11H2,(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
The Institute for Diabetes Discovery					Assay Description The activity of the test enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappear...				J Med Chem 48: 3141-52 (2005) Article DOI: 10.1021/jm0492094 BindingDB Entry DOI: 10.7270/Q2J38QSN
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16496 (2-{3-[(4-bromo-2-fluorophenyl)methyl]-7-chloro-2,4...) Show SMILES OC(=O)Cn1c2cc(Cl)ccc2c(=O)n(Cc2ccc(Br)cc2F)c1=O Show InChI InChI=1S/C17H11BrClFN2O4/c18-10-2-1-9(13(20)5-10)7-22-16(25)12-4-3-11(19)6-14(12)21(17(22)26)8-15(23)24/h1-6H,7-8H2,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
The Institute for Diabetes Discovery					Assay Description The activity of the test enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappear...				J Med Chem 48: 3141-52 (2005) Article DOI: 10.1021/jm0492094 BindingDB Entry DOI: 10.7270/Q2J38QSN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16483 (2-{6-chloro-3-[(4,5,7-trifluoro-1,3-benzothiazol-2...) Show SMILES OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccc(Cl)cc12 Show InChI InChI=1S/C18H10ClF3N2O2S/c19-9-1-2-10-8(6-24(7-15(25)26)13(10)4-9)3-14-23-17-16(22)11(20)5-12(21)18(17)27-14/h1-2,4-6H,3,7H2,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
The Institute for Diabetes Discovery					Assay Description The activity of the test enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappear...				J Med Chem 48: 3141-52 (2005) Article DOI: 10.1021/jm0492094 BindingDB Entry DOI: 10.7270/Q2J38QSN
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16476 (2-{5-methyl-3-[(4,5,7-trifluoro-1,3-benzothiazol-2...) Show SMILES Cc1ccc2n(CC(O)=O)cc(Cc3nc4c(F)c(F)cc(F)c4s3)c2c1 Show InChI InChI=1S/C19H13F3N2O2S/c1-9-2-3-14-11(4-9)10(7-24(14)8-16(25)26)5-15-23-18-17(22)12(20)6-13(21)19(18)27-15/h2-4,6-7H,5,8H2,1H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	6.6	37
The Institute for Diabetes Discovery					Assay Description The activity of the test enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappear...				J Med Chem 48: 3141-52 (2005) Article DOI: 10.1021/jm0492094 BindingDB Entry DOI: 10.7270/Q2J38QSN
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16477 (2-{5-methoxy-3-[(4,5,7-trifluoro-1,3-benzothiazol-...) Show SMILES COc1ccc2n(CC(O)=O)cc(Cc3nc4c(F)c(F)cc(F)c4s3)c2c1 Show InChI InChI=1S/C19H13F3N2O3S/c1-27-10-2-3-14-11(5-10)9(7-24(14)8-16(25)26)4-15-23-18-17(22)12(20)6-13(21)19(18)28-15/h2-3,5-7H,4,8H2,1H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	6.6	37
The Institute for Diabetes Discovery					Assay Description The activity of the test enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappear...				J Med Chem 48: 3141-52 (2005) Article DOI: 10.1021/jm0492094 BindingDB Entry DOI: 10.7270/Q2J38QSN
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16493 (2-{3-[2-(4,5,7-trifluoro-1,3-benzothiazol-2-yl)eth...) Show SMILES OC(=O)Cn1cc(CCc2nc3c(F)c(F)cc(F)c3s2)c2ccccc12 Show InChI InChI=1S/C19H13F3N2O2S/c20-12-7-13(21)19-18(17(12)22)23-15(27-19)6-5-10-8-24(9-16(25)26)14-4-2-1-3-11(10)14/h1-4,7-8H,5-6,9H2,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
The Institute for Diabetes Discovery					Assay Description The activity of the test enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappear...				J Med Chem 48: 3141-52 (2005) Article DOI: 10.1021/jm0492094 BindingDB Entry DOI: 10.7270/Q2J38QSN
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16470 (2-{2-methyl-3-[(4,5,7-trifluoro-1,3-benzothiazol-2...) Show SMILES Cc1c(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccccc2n1CC(O)=O Show InChI InChI=1S/C19H13F3N2O2S/c1-9-11(10-4-2-3-5-14(10)24(9)8-16(25)26)6-15-23-18-17(22)12(20)7-13(21)19(18)27-15/h2-5,7H,6,8H2,1H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	6.6	37
The Institute for Diabetes Discovery					Assay Description The activity of the test enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappear...				J Med Chem 48: 3141-52 (2005) Article DOI: 10.1021/jm0492094 BindingDB Entry DOI: 10.7270/Q2J38QSN
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16464 (2-{3-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]-1H-i...) Show SMILES OC(=O)Cn1cc(Cc2nc3cc(F)ccc3s2)c2ccccc12 Show InChI InChI=1S/C18H13FN2O2S/c19-12-5-6-16-14(8-12)20-17(24-16)7-11-9-21(10-18(22)23)15-4-2-1-3-13(11)15/h1-6,8-9H,7,10H2,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	6.6	37
The Institute for Diabetes Discovery					Assay Description The activity of the test enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappear...				J Med Chem 48: 3141-52 (2005) Article DOI: 10.1021/jm0492094 BindingDB Entry DOI: 10.7270/Q2J38QSN
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16489 (2-{7-chloro-3-[(4,5,7-trifluoro-1,3-benzothiazol-2...) Show SMILES OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cccc(Cl)c12 Show InChI InChI=1S/C18H10ClF3N2O2S/c19-10-3-1-2-9-8(6-24(17(9)10)7-14(25)26)4-13-23-16-15(22)11(20)5-12(21)18(16)27-13/h1-3,5-6H,4,7H2,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
The Institute for Diabetes Discovery					Assay Description The activity of the test enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappear...				J Med Chem 48: 3141-52 (2005) Article DOI: 10.1021/jm0492094 BindingDB Entry DOI: 10.7270/Q2J38QSN
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16452 ((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...) Show SMILES OC(=O)Cc1nn(Cc2nc3cc(ccc3s2)C(F)(F)F)c(=O)c2ccccc12 Show InChI InChI=1S/C19H12F3N3O3S/c20-19(21,22)10-5-6-15-14(7-10)23-16(29-15)9-25-18(28)12-4-2-1-3-11(12)13(24-25)8-17(26)27/h1-7H,8-9H2,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
The Institute for Diabetes Discovery					Assay Description The activity of the test enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappear...				J Med Chem 48: 3141-52 (2005) Article DOI: 10.1021/jm0492094 BindingDB Entry DOI: 10.7270/Q2J38QSN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16473 (2-{5-chloro-3-[(4,5,7-trifluoro-1,3-benzothiazol-2...) Show SMILES OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cc(Cl)ccc12 Show InChI InChI=1S/C18H10ClF3N2O2S/c19-9-1-2-13-10(4-9)8(6-24(13)7-15(25)26)3-14-23-17-16(22)11(20)5-12(21)18(17)27-14/h1-2,4-6H,3,7H2,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	6.6	37
The Institute for Diabetes Discovery					Assay Description The activity of the test enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappear...				J Med Chem 48: 3141-52 (2005) Article DOI: 10.1021/jm0492094 BindingDB Entry DOI: 10.7270/Q2J38QSN
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16484 (2-{6-methyl-3-[(4,5,7-trifluoro-1,3-benzothiazol-2...) Show SMILES Cc1ccc2c(Cc3nc4c(F)c(F)cc(F)c4s3)cn(CC(O)=O)c2c1 Show InChI InChI=1S/C19H13F3N2O2S/c1-9-2-3-11-10(7-24(8-16(25)26)14(11)4-9)5-15-23-18-17(22)12(20)6-13(21)19(18)27-15/h2-4,6-7H,5,8H2,1H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
The Institute for Diabetes Discovery					Assay Description The activity of the test enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappear...				J Med Chem 48: 3141-52 (2005) Article DOI: 10.1021/jm0492094 BindingDB Entry DOI: 10.7270/Q2J38QSN
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16474 (2-{5-fluoro-3-[(4,5,7-trifluoro-1,3-benzothiazol-2...) Show SMILES OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cc(F)ccc12 Show InChI InChI=1S/C18H10F4N2O2S/c19-9-1-2-13-10(4-9)8(6-24(13)7-15(25)26)3-14-23-17-16(22)11(20)5-12(21)18(17)27-14/h1-2,4-6H,3,7H2,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	6.6	37
The Institute for Diabetes Discovery					Assay Description The activity of the test enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappear...				J Med Chem 48: 3141-52 (2005) Article DOI: 10.1021/jm0492094 BindingDB Entry DOI: 10.7270/Q2J38QSN
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50079859 ((R)-2-[2,6-Dibromo-4-(6-bromo-benzo[b]naphtho[2,3-...) Show SMILES OC(=O)[C@@H](CCN1C(=O)c2ccccc2C1=O)Oc1c(Br)cc(cc1Br)-c1c2c3ccccc3sc2c(Br)c2ccccc12 Show InChI InChI=1S/C34H20Br3NO5S/c35-23-15-17(27-18-7-1-2-8-19(18)29(37)31-28(27)22-11-5-6-12-26(22)44-31)16-24(36)30(23)43-25(34(41)42)13-14-38-32(39)20-9-3-4-10-21(20)33(38)40/h1-12,15-16,25H,13-14H2,(H,41,42)/t25-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description The compound was tested in vitro for the inhibitory activity against Protein-tyrosine phosphatase 1B (human PTPases.)				J Med Chem 42: 3199-202 (1999) Article DOI: 10.1021/jm990260v BindingDB Entry DOI: 10.7270/Q2DF6QCQ
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16472 (2-{4-chloro-3-[(4,5,7-trifluoro-1,3-benzothiazol-2...) Show SMILES OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2c(Cl)cccc12 Show InChI InChI=1S/C18H10ClF3N2O2S/c19-9-2-1-3-12-15(9)8(6-24(12)7-14(25)26)4-13-23-17-16(22)10(20)5-11(21)18(17)27-13/h1-3,5-6H,4,7H2,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	6.6	37
The Institute for Diabetes Discovery					Assay Description The activity of the test enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappear...				J Med Chem 48: 3141-52 (2005) Article DOI: 10.1021/jm0492094 BindingDB Entry DOI: 10.7270/Q2J38QSN
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16478 (2-[5-(benzyloxy)-3-[(4,5,7-trifluoro-1,3-benzothia...) Show SMILES OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cc(OCc3ccccc3)ccc12 Show InChI InChI=1S/C25H17F3N2O3S/c26-18-10-19(27)25-24(23(18)28)29-21(34-25)8-15-11-30(12-22(31)32)20-7-6-16(9-17(15)20)33-13-14-4-2-1-3-5-14/h1-7,9-11H,8,12-13H2,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
The Institute for Diabetes Discovery					Assay Description The activity of the test enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappear...				J Med Chem 48: 3141-52 (2005) Article DOI: 10.1021/jm0492094 BindingDB Entry DOI: 10.7270/Q2J38QSN
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16475 (2-{5-bromo-3-[(4,5,7-trifluoro-1,3-benzothiazol-2-...) Show SMILES OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cc(Br)ccc12 Show InChI InChI=1S/C18H10BrF3N2O2S/c19-9-1-2-13-10(4-9)8(6-24(13)7-15(25)26)3-14-23-17-16(22)11(20)5-12(21)18(17)27-14/h1-2,4-6H,3,7H2,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	6.6	37
The Institute for Diabetes Discovery					Assay Description The activity of the test enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappear...				J Med Chem 48: 3141-52 (2005) Article DOI: 10.1021/jm0492094 BindingDB Entry DOI: 10.7270/Q2J38QSN
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16314 (2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...) Show SMILES COc1ccc2c(cccc2c1C(F)(F)F)C(=S)N(C)CC(O)=O Show InChI InChI=1S/C16H14F3NO3S/c1-20(8-13(21)22)15(24)11-5-3-4-10-9(11)6-7-12(23-2)14(10)16(17,18)19/h3-7H,8H2,1-2H3,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
The Institute for Diabetes Discovery					Assay Description The activity of the test enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappear...				J Med Chem 48: 3141-52 (2005) Article DOI: 10.1021/jm0492094 BindingDB Entry DOI: 10.7270/Q2J38QSN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16490 (2-{7-bromo-3-[(4,5,7-trifluoro-1,3-benzothiazol-2-...) Show SMILES OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cccc(Br)c12 Show InChI InChI=1S/C18H10BrF3N2O2S/c19-10-3-1-2-9-8(6-24(17(9)10)7-14(25)26)4-13-23-16-15(22)11(20)5-12(21)18(16)27-13/h1-3,5-6H,4,7H2,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
The Institute for Diabetes Discovery					Assay Description The activity of the test enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappear...				J Med Chem 48: 3141-52 (2005) Article DOI: 10.1021/jm0492094 BindingDB Entry DOI: 10.7270/Q2J38QSN
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16487 (2-[6-(morpholin-4-yl)-3-[(4,5,7-trifluoro-1,3-benz...) Show SMILES OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccc(cc12)N1CCOCC1 Show InChI InChI=1S/C22H18F3N3O3S/c23-15-9-16(24)22-21(20(15)25)26-18(32-22)7-12-10-28(11-19(29)30)17-8-13(1-2-14(12)17)27-3-5-31-6-4-27/h1-2,8-10H,3-7,11H2,(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
The Institute for Diabetes Discovery					Assay Description The activity of the test enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappear...				J Med Chem 48: 3141-52 (2005) Article DOI: 10.1021/jm0492094 BindingDB Entry DOI: 10.7270/Q2J38QSN
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16494 (3-{3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methy...) Show SMILES OC(=O)CCn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccccc12 Show InChI InChI=1S/C19H13F3N2O2S/c20-12-8-13(21)19-18(17(12)22)23-15(27-19)7-10-9-24(6-5-16(25)26)14-4-2-1-3-11(10)14/h1-4,8-9H,5-7H2,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
The Institute for Diabetes Discovery					Assay Description The activity of the test enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappear...				J Med Chem 48: 3141-52 (2005) Article DOI: 10.1021/jm0492094 BindingDB Entry DOI: 10.7270/Q2J38QSN
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50086986 (2-[4'-(2-Benzyl-benzofuran-3-yl)-3,5-dibromo-biphe...) Show SMILES CCCCCCC(Oc1c(Br)cc(cc1Br)-c1ccc(cc1)-c1c(Cc2ccccc2)oc2ccccc12)C(O)=O Show InChI InChI=1S/C35H32Br2O4/c1-2-3-4-8-15-31(35(38)39)41-34-28(36)21-26(22-29(34)37)24-16-18-25(19-17-24)33-27-13-9-10-14-30(27)40-32(33)20-23-11-6-5-7-12-23/h5-7,9-14,16-19,21-22,31H,2-4,8,15,20H2,1H3,(H,38,39)	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	23	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)				J Med Chem 43: 1293-310 (2001) BindingDB Entry DOI: 10.7270/Q2W958FT
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50086896 (4-[4''-(2-Benzyl-benzo[b]thiophen-3-yl)-3-bromo-bi...) Show SMILES OC(=O)c1ccc(cc1O)S(=O)(=O)Oc1ccc(cc1Br)-c1ccc(cc1)-c1c(Cc2ccccc2)sc2ccccc12 Show InChI InChI=1S/C34H23BrO6S2/c35-28-19-24(14-17-30(28)41-43(39,40)25-15-16-26(34(37)38)29(36)20-25)22-10-12-23(13-11-22)33-27-8-4-5-9-31(27)42-32(33)18-21-6-2-1-3-7-21/h1-17,19-20,36H,18H2,(H,37,38)	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	24	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)				J Med Chem 43: 1293-310 (2001) BindingDB Entry DOI: 10.7270/Q2W958FT
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50086972 (2-{4-[4-(2-benzyl-1-benzothiophen-3-yl)phenyl]-2,6...) Show SMILES COc1cccc(c1)-c1cc(cc(-c2cccc(OC)c2)c1OCC(O)=O)-c1ccc(cc1)-c1c(Cc2ccccc2)sc2ccccc12 Show InChI InChI=1S/C43H34O5S/c1-46-34-14-8-12-31(23-34)37-25-33(26-38(43(37)48-27-41(44)45)32-13-9-15-35(24-32)47-2)29-18-20-30(21-19-29)42-36-16-6-7-17-39(36)49-40(42)22-28-10-4-3-5-11-28/h3-21,23-26H,22,27H2,1-2H3,(H,44,45)	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	25	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)				J Med Chem 43: 1293-310 (2001) BindingDB Entry DOI: 10.7270/Q2W958FT
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16486 (2-{6-phenyl-3-[(4,5,7-trifluoro-1,3-benzothiazol-2...) Show SMILES OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccc(cc12)-c1ccccc1 Show InChI InChI=1S/C24H15F3N2O2S/c25-17-10-18(26)24-23(22(17)27)28-20(32-24)9-15-11-29(12-21(30)31)19-8-14(6-7-16(15)19)13-4-2-1-3-5-13/h1-8,10-11H,9,12H2,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
The Institute for Diabetes Discovery					Assay Description The activity of the test enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappear...				J Med Chem 48: 3141-52 (2005) Article DOI: 10.1021/jm0492094 BindingDB Entry DOI: 10.7270/Q2J38QSN
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50086947 (2-[4'-(2-Benzyl-benzo[b]thiophen-3-yl)-3,5-dibromo...) Show SMILES OC(=O)C(Cc1ccccc1)Oc1c(Br)cc(cc1Br)-c1ccc(cc1)-c1c(Cc2ccccc2)sc2ccccc12 Show InChI InChI=1S/C36H26Br2O3S/c37-29-21-27(22-30(38)35(29)41-31(36(39)40)19-23-9-3-1-4-10-23)25-15-17-26(18-16-25)34-28-13-7-8-14-32(28)42-33(34)20-24-11-5-2-6-12-24/h1-18,21-22,31H,19-20H2,(H,39,40)	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	25	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)				J Med Chem 43: 1293-310 (2001) BindingDB Entry DOI: 10.7270/Q2W958FT
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50086950 (2-[4-[4-(2-benzylbenzo[b]thiophen-3-yl)phenyl]-2,6...) Show SMILES COc1ccc(cc1)-c1cc(cc(-c2ccc(OC)cc2)c1OCC(O)=O)-c1ccc(cc1)-c1c(Cc2ccccc2)sc2ccccc12 Show InChI InChI=1S/C43H34O5S/c1-46-34-20-16-30(17-21-34)37-25-33(26-38(43(37)48-27-41(44)45)31-18-22-35(47-2)23-19-31)29-12-14-32(15-13-29)42-36-10-6-7-11-39(36)49-40(42)24-28-8-4-3-5-9-28/h3-23,25-26H,24,27H2,1-2H3,(H,44,45)	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	25	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)				J Med Chem 43: 1293-310 (2001) BindingDB Entry DOI: 10.7270/Q2W958FT
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50086911 (5-[4''-(2-Benzyl-benzofuran-3-yl)-biphenyl-4-yloxy...) Show SMILES OC(=O)c1cc(ccc1O)S(=O)(=O)Oc1ccc(cc1)-c1ccc(cc1)-c1c(Cc2ccccc2)oc2ccccc12 Show InChI InChI=1S/C34H24O7S/c35-30-19-18-27(21-29(30)34(36)37)42(38,39)41-26-16-14-24(15-17-26)23-10-12-25(13-11-23)33-28-8-4-5-9-31(28)40-32(33)20-22-6-2-1-3-7-22/h1-19,21,35H,20H2,(H,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)				J Med Chem 43: 1293-310 (2001) BindingDB Entry DOI: 10.7270/Q2W958FT
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50086970 (4-[4'-(2-Benzyl-benzo[b]thiophen-3-yl)-biphenyl-4-...) Show SMILES OC(=O)c1ccc(cc1O)S(=O)(=O)Oc1ccc(cc1)-c1ccc(cc1)-c1c(Cc2ccccc2)sc2ccccc12 Show InChI InChI=1S/C34H24O6S2/c35-30-21-27(18-19-28(30)34(36)37)42(38,39)40-26-16-14-24(15-17-26)23-10-12-25(13-11-23)33-29-8-4-5-9-31(29)41-32(33)20-22-6-2-1-3-7-22/h1-19,21,35H,20H2,(H,36,37)	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	28	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)				J Med Chem 43: 1293-310 (2001) BindingDB Entry DOI: 10.7270/Q2W958FT
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50086923 (4-[4''-(2-Benzyl-benzofuran-3-yl)-3-cyclopentyl-bi...) Show SMILES OC(=O)c1ccc(cc1O)S(=O)(=O)Oc1ccc(cc1C1CCCC1)-c1ccc(cc1)-c1c(Cc2ccccc2)oc2ccccc12 Show InChI InChI=1S/C39H32O7S/c40-34-24-30(19-20-31(34)39(41)42)47(43,44)46-36-21-18-29(23-33(36)27-10-4-5-11-27)26-14-16-28(17-15-26)38-32-12-6-7-13-35(32)45-37(38)22-25-8-2-1-3-9-25/h1-3,6-9,12-21,23-24,27,40H,4-5,10-11,22H2,(H,41,42)	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	28	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)				J Med Chem 43: 1293-310 (2001) BindingDB Entry DOI: 10.7270/Q2W958FT
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50086975 (Benzothiophene derivative | CHEMBL25628 | [4-(2-Be...) Show SMILES COc1cccc(c1)-c1cc(cc(Br)c1OCC(O)=O)-c1ccc(cc1)-c1c(Cc2ccccc2)sc2ccccc12 Show InChI InChI=1S/C36H27BrO4S/c1-40-28-11-7-10-26(19-28)30-20-27(21-31(37)36(30)41-22-34(38)39)24-14-16-25(17-15-24)35-29-12-5-6-13-32(29)42-33(35)18-23-8-3-2-4-9-23/h2-17,19-21H,18,22H2,1H3,(H,38,39)	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	28	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)				J Med Chem 43: 1293-310 (2001) BindingDB Entry DOI: 10.7270/Q2W958FT
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50086981 (4-[4''-(2-Benzyl-benzofuran-3-yl)-3-nitro-biphenyl...) Show SMILES OC(=O)c1ccc(cc1O)S(=O)(=O)Oc1ccc(cc1[N+]([O-])=O)-c1ccc(cc1)-c1c(Cc2ccccc2)oc2ccccc12 Show InChI InChI=1S/C34H23NO9S/c36-29-20-25(15-16-26(29)34(37)38)45(41,42)44-31-17-14-24(19-28(31)35(39)40)22-10-12-23(13-11-22)33-27-8-4-5-9-30(27)43-32(33)18-21-6-2-1-3-7-21/h1-17,19-20,36H,18H2,(H,37,38)	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	29	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)				J Med Chem 43: 1293-310 (2001) BindingDB Entry DOI: 10.7270/Q2W958FT
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50086954 (CHEMBL278092 | [4-(2-Benzyl-benzo[b]thiophen-3-yl)...) Show SMILES COc1ccc(cc1)-c1cc(cc(Br)c1OCC(O)=O)-c1ccc(cc1)-c1c(Cc2ccccc2)sc2ccccc12 Show InChI InChI=1S/C36H27BrO4S/c1-40-28-17-15-25(16-18-28)30-20-27(21-31(37)36(30)41-22-34(38)39)24-11-13-26(14-12-24)35-29-9-5-6-10-32(29)42-33(35)19-23-7-3-2-4-8-23/h2-18,20-21H,19,22H2,1H3,(H,38,39)	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	29	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)				J Med Chem 43: 1293-310 (2001) BindingDB Entry DOI: 10.7270/Q2W958FT
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50086955 (4-[4''-(2-Benzyl-benzo[b]thiophen-3-yl)-3,5-dibrom...) Show SMILES OC(=O)c1ccc(cc1O)S(=O)(=O)Oc1c(Br)cc(cc1Br)-c1ccc(cc1)-c1c(Cc2ccccc2)sc2ccccc12 Show InChI InChI=1S/C34H22Br2O6S2/c35-27-17-23(18-28(36)33(27)42-44(40,41)24-14-15-25(34(38)39)29(37)19-24)21-10-12-22(13-11-21)32-26-8-4-5-9-30(26)43-31(32)16-20-6-2-1-3-7-20/h1-15,17-19,37H,16H2,(H,38,39)	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	30	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)				J Med Chem 43: 1293-310 (2001) BindingDB Entry DOI: 10.7270/Q2W958FT
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16479 (2-{5-phenoxy-3-[(4,5,7-trifluoro-1,3-benzothiazol-...) Show SMILES OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cc(Oc3ccccc3)ccc12 Show InChI InChI=1S/C24H15F3N2O3S/c25-17-10-18(26)24-23(22(17)27)28-20(33-24)8-13-11-29(12-21(30)31)19-7-6-15(9-16(13)19)32-14-4-2-1-3-5-14/h1-7,9-11H,8,12H2,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
The Institute for Diabetes Discovery					Assay Description The activity of the test enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappear...				J Med Chem 48: 3141-52 (2005) Article DOI: 10.1021/jm0492094 BindingDB Entry DOI: 10.7270/Q2J38QSN
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50086951 (4-[4'-(2-Benzyl-4,5-dimethyl-thiophen-3-yl)-biphen...) Show SMILES Cc1sc(Cc2ccccc2)c(c1C)-c1ccc(cc1)-c1ccc(OS(=O)(=O)c2ccc(C(O)=O)c(O)c2)cc1 Show InChI InChI=1S/C32H26O6S2/c1-20-21(2)39-30(18-22-6-4-3-5-7-22)31(20)25-10-8-23(9-11-25)24-12-14-26(15-13-24)38-40(36,37)27-16-17-28(32(34)35)29(33)19-27/h3-17,19,33H,18H2,1-2H3,(H,34,35)	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	32	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)				J Med Chem 43: 1293-310 (2001) BindingDB Entry DOI: 10.7270/Q2W958FT
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16463 (2-{3-[(4-fluoro-1,3-benzothiazol-2-yl)methyl]-1H-i...) Show SMILES OC(=O)Cn1cc(Cc2nc3c(F)cccc3s2)c2ccccc12 Show InChI InChI=1S/C18H13FN2O2S/c19-13-5-3-7-15-18(13)20-16(24-15)8-11-9-21(10-17(22)23)14-6-2-1-4-12(11)14/h1-7,9H,8,10H2,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	6.6	37
The Institute for Diabetes Discovery					Assay Description The activity of the test enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappear...				J Med Chem 48: 3141-52 (2005) Article DOI: 10.1021/jm0492094 BindingDB Entry DOI: 10.7270/Q2J38QSN
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50086902 (4-[4''-(2-Benzyl-benzofuran-3-yl)-3,5-dimethyl-bip...) Show SMILES Cc1cc(cc(C)c1OS(=O)(=O)c1ccc(C(O)=O)c(O)c1)-c1ccc(cc1)-c1c(Cc2ccccc2)oc2ccccc12 Show InChI InChI=1S/C36H28O7S/c1-22-18-27(19-23(2)35(22)43-44(40,41)28-16-17-29(36(38)39)31(37)21-28)25-12-14-26(15-13-25)34-30-10-6-7-11-32(30)42-33(34)20-24-8-4-3-5-9-24/h3-19,21,37H,20H2,1-2H3,(H,38,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)				J Med Chem 43: 1293-310 (2001) BindingDB Entry DOI: 10.7270/Q2W958FT
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50086892 (2-[4'-(2-Benzyl-benzofuran-3-yl)-3,5-dibromo-biphe...) Show SMILES OC(=O)C(Cc1ccccc1)Oc1c(Br)cc(cc1Br)-c1ccc(cc1)-c1c(Cc2ccccc2)oc2ccccc12 Show InChI InChI=1S/C36H26Br2O4/c37-29-21-27(22-30(38)35(29)42-33(36(39)40)20-24-11-5-2-6-12-24)25-15-17-26(18-16-25)34-28-13-7-8-14-31(28)41-32(34)19-23-9-3-1-4-10-23/h1-18,21-22,33H,19-20H2,(H,39,40)	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	38	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)				J Med Chem 43: 1293-310 (2001) BindingDB Entry DOI: 10.7270/Q2W958FT
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50086963 (4-[4'-(2-Benzyl-benzofuran-3-yl)-biphenyl-4-yloxys...) Show SMILES OC(=O)c1ccc(cc1O)S(=O)(=O)Oc1ccc(cc1)-c1ccc(cc1)-c1c(Cc2ccccc2)oc2ccccc12 Show InChI InChI=1S/C34H24O7S/c35-30-21-27(18-19-28(30)34(36)37)42(38,39)41-26-16-14-24(15-17-26)23-10-12-25(13-11-23)33-29-8-4-5-9-31(29)40-32(33)20-22-6-2-1-3-7-22/h1-19,21,35H,20H2,(H,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)				J Med Chem 43: 1293-310 (2001) BindingDB Entry DOI: 10.7270/Q2W958FT
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50086973 (4-[4'-(2-Benzoyl-benzofuran-3-yl)-3-cyclopentyl-bi...) Show SMILES OC(=O)c1ccc(cc1O)S(=O)(=O)Oc1ccc(cc1C1CCCC1)-c1ccc(cc1)-c1c(oc2ccccc12)C(=O)c1ccccc1 Show InChI InChI=1S/C39H30O8S/c40-33-23-29(19-20-30(33)39(42)43)48(44,45)47-35-21-18-28(22-32(35)25-8-4-5-9-25)24-14-16-26(17-15-24)36-31-12-6-7-13-34(31)46-38(36)37(41)27-10-2-1-3-11-27/h1-3,6-7,10-23,25,40H,4-5,8-9H2,(H,42,43)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)				J Med Chem 43: 1293-310 (2001) BindingDB Entry DOI: 10.7270/Q2W958FT
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50086988 (2-[4-(2-Benzyl-benzofuran-3-yl)-4''-methoxy-[1,1';...) Show SMILES COc1ccc(cc1)-c1cc(ccc1OC(Cc1ccccc1)C(O)=O)-c1ccc(cc1)-c1c(Cc2ccccc2)oc2ccccc12 Show InChI InChI=1S/C43H34O5/c1-46-35-23-20-32(21-24-35)37-28-34(22-25-39(37)48-41(43(44)45)27-30-12-6-3-7-13-30)31-16-18-33(19-17-31)42-36-14-8-9-15-38(36)47-40(42)26-29-10-4-2-5-11-29/h2-25,28,41H,26-27H2,1H3,(H,44,45)	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	43	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)				J Med Chem 43: 1293-310 (2001) BindingDB Entry DOI: 10.7270/Q2W958FT
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50086952 (2-[4'-(2-Benzyl-benzo[b]thiophen-3-yl)-3,5-dibromo...) Show SMILES OC(=O)C(CCN1C(=O)c2ccccc2C1=O)Oc1c(Br)cc(cc1Br)-c1ccc(cc1)-c1c(Cc2ccccc2)sc2ccccc12 Show InChI InChI=1S/C39H27Br2NO5S/c40-30-21-26(22-31(41)36(30)47-32(39(45)46)18-19-42-37(43)27-10-4-5-11-28(27)38(42)44)24-14-16-25(17-15-24)35-29-12-6-7-13-33(29)48-34(35)20-23-8-2-1-3-9-23/h1-17,21-22,32H,18-20H2,(H,45,46)	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	44	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)				J Med Chem 43: 1293-310 (2001) BindingDB Entry DOI: 10.7270/Q2W958FT
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50086969 (CHEMBL24607 | [4-(2-Benzyl-benzo[b]thiophen-3-yl)-...) Show SMILES COc1ccc(c(OC)c1)-c1cc(cc(Br)c1OCC(O)=O)-c1ccc(cc1)-c1c(Cc2ccccc2)sc2ccccc12 Show InChI InChI=1S/C37H29BrO5S/c1-41-27-16-17-28(32(21-27)42-2)30-19-26(20-31(38)37(30)43-22-35(39)40)24-12-14-25(15-13-24)36-29-10-6-7-11-33(29)44-34(36)18-23-8-4-3-5-9-23/h3-17,19-21H,18,22H2,1-2H3,(H,39,40)	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	47	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)				J Med Chem 43: 1293-310 (2001) BindingDB Entry DOI: 10.7270/Q2W958FT
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50086903 (2-[4-(2-Benzyl-benzo[b]thiophen-3-yl)-4''-chloro-[...) Show SMILES OC(=O)C(Cc1ccccc1)Oc1ccc(cc1-c1ccc(Cl)cc1)-c1ccc(cc1)-c1c(Cc2ccccc2)sc2ccccc12 Show InChI InChI=1S/C42H31ClO3S/c43-34-22-19-31(20-23-34)36-27-33(21-24-37(36)46-38(42(44)45)25-28-9-3-1-4-10-28)30-15-17-32(18-16-30)41-35-13-7-8-14-39(35)47-40(41)26-29-11-5-2-6-12-29/h1-24,27,38H,25-26H2,(H,44,45)	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	52	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)				J Med Chem 43: 1293-310 (2001) BindingDB Entry DOI: 10.7270/Q2W958FT
					More data for this Ligand-Target Pair

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