Compile Data Set for Download or QSAR

Found 141 hits with Last Name = 'maurya' 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
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50150105 (CHEMBL124069 | [2-(6-Fluoro-chroman-8-yloxy)-ethyl...) Show SMILES Fc1cc2CCCOc2c(OCCNCCCc2c[nH]c3ccc(F)cc23)c1 Show InChI InChI=1S/C22H24F2N2O2/c23-17-5-6-20-19(12-17)16(14-26-20)3-1-7-25-8-10-27-21-13-18(24)11-15-4-2-9-28-22(15)21/h5-6,11-14,25-26H,1-4,7-10H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ISF College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of 5HT transporter (unknown origin)				Eur J Med Chem 180: 562-612 (2019) Article DOI: 10.1016/j.ejmech.2019.07.019 BindingDB Entry DOI: 10.7270/Q2K93BWX
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50150093 (CHEMBL340873 | [2-(6-Fluoro-chroman-8-yloxy)-ethyl...) Show SMILES Fc1ccc2[nH]cc(CCNCCOc3cc(F)cc4CCCOc34)c2c1 Show InChI InChI=1S/C21H22F2N2O2/c22-16-3-4-19-18(11-16)15(13-25-19)5-6-24-7-9-26-20-12-17(23)10-14-2-1-8-27-21(14)20/h3-4,10-13,24-25H,1-2,5-9H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ISF College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of 5HT transporter (unknown origin)				Eur J Med Chem 180: 562-612 (2019) Article DOI: 10.1016/j.ejmech.2019.07.019 BindingDB Entry DOI: 10.7270/Q2K93BWX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50150105 (CHEMBL124069 | [2-(6-Fluoro-chroman-8-yloxy)-ethyl...) Show SMILES Fc1cc2CCCOc2c(OCCNCCCc2c[nH]c3ccc(F)cc23)c1 Show InChI InChI=1S/C22H24F2N2O2/c23-17-5-6-20-19(12-17)16(14-26-20)3-1-7-25-8-10-27-21-13-18(24)11-15-4-2-9-28-22(15)21/h5-6,11-14,25-26H,1-4,7-10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ISF College of Pharmacy Curated by ChEMBL					Assay Description Agonist activity at 5HT1A receptor (unknown origin)				Eur J Med Chem 180: 562-612 (2019) Article DOI: 10.1016/j.ejmech.2019.07.019 BindingDB Entry DOI: 10.7270/Q2K93BWX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50150093 (CHEMBL340873 | [2-(6-Fluoro-chroman-8-yloxy)-ethyl...) Show SMILES Fc1ccc2[nH]cc(CCNCCOc3cc(F)cc4CCCOc34)c2c1 Show InChI InChI=1S/C21H22F2N2O2/c22-16-3-4-19-18(11-16)15(13-25-19)5-6-24-7-9-26-20-12-17(23)10-14-2-1-8-27-21(14)20/h3-4,10-13,24-25H,1-2,5-9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ISF College of Pharmacy Curated by ChEMBL					Assay Description Agonist activity at 5HT1A receptor (unknown origin)				Eur J Med Chem 180: 562-612 (2019) Article DOI: 10.1016/j.ejmech.2019.07.019 BindingDB Entry DOI: 10.7270/Q2K93BWX
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM93118 (PTP1B Inhibitor, 19) Show SMILES CC(=O)Oc1ccc(C2=NOC(C2)c2ccccc2)c(OC(C)=O)c1 |t:8| Show InChI InChI=1S/C19H17NO5/c1-12(21)23-15-8-9-16(19(10-15)24-13(2)22)17-11-18(25-20-17)14-6-4-3-5-7-14/h3-10,18H,11H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		2.50E+4	n/a	6.27E+4	n/a	n/a	n/a	n/a	7.0	n/a
Central Drug Research Institute,					Assay Description The effect of the test compounds on PTP1B was studied by preincubating the test compound with enzyme in the reaction system for 10 min and determinin...				Medicinal Chemistry Research 17: 123-136 (2008) BindingDB Entry DOI: 10.7270/Q2JQ0ZMG
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50266158 (CHEMBL510225 | Dimethyl-[2-(4-naphtho[1,2-d]oxazol...) Show SMILES CN(C)CCOc1ccc(cc1)-c1nc2c(ccc3ccccc23)o1 Show InChI InChI=1S/C21H20N2O2/c1-23(2)13-14-24-17-10-7-16(8-11-17)21-22-20-18-6-4-3-5-15(18)9-12-19(20)25-21/h3-12H,13-14H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.51E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of of PTP1B (unknown origin) assessed as residual enzyme activity				Eur J Med Chem 44: 109-16 (2008) Article DOI: 10.1016/j.ejmech.2008.03.009 BindingDB Entry DOI: 10.7270/Q2FN1602
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50266161 (2-[4-(2-Piperidine-1-yl-ethoxy)-phenyl]-naphtho[1,...) Show SMILES C(CN1CCCCC1)Oc1ccc(cc1)-c1nc2c(ccc3ccccc23)o1 Show InChI InChI=1S/C24H24N2O2/c1-4-14-26(15-5-1)16-17-27-20-11-8-19(9-12-20)24-25-23-21-7-3-2-6-18(21)10-13-22(23)28-24/h2-3,6-13H,1,4-5,14-17H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.71E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of of PTP1B (unknown origin) assessed as residual enzyme activity in presence of Triton X-100				Eur J Med Chem 44: 109-16 (2008) Article DOI: 10.1016/j.ejmech.2008.03.009 BindingDB Entry DOI: 10.7270/Q2FN1602
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50182133 (3-(4-methoxybenzofuran-5-yl)-5-(4-methoxyphenyl)-4...) Show SMILES COc1ccc(cc1)C1CC(=NO1)c1ccc2occc2c1OC |c:11| Show InChI InChI=1S/C19H17NO4/c1-21-13-5-3-12(4-6-13)18-11-16(20-24-18)14-7-8-17-15(9-10-23-17)19(14)22-2/h3-10,18H,11H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.75E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of PTP1B				Bioorg Med Chem Lett 16: 2139-43 (2006) Article DOI: 10.1016/j.bmcl.2006.01.062 BindingDB Entry DOI: 10.7270/Q29K49ST
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50266161 (2-[4-(2-Piperidine-1-yl-ethoxy)-phenyl]-naphtho[1,...) Show SMILES C(CN1CCCCC1)Oc1ccc(cc1)-c1nc2c(ccc3ccccc23)o1 Show InChI InChI=1S/C24H24N2O2/c1-4-14-26(15-5-1)16-17-27-20-11-8-19(9-12-20)24-25-23-21-7-3-2-6-18(21)10-13-22(23)28-24/h2-3,6-13H,1,4-5,14-17H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.75E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of of PTP1B (unknown origin) assessed as residual enzyme activity				Eur J Med Chem 44: 109-16 (2008) Article DOI: 10.1016/j.ejmech.2008.03.009 BindingDB Entry DOI: 10.7270/Q2FN1602
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50266158 (CHEMBL510225 | Dimethyl-[2-(4-naphtho[1,2-d]oxazol...) Show SMILES CN(C)CCOc1ccc(cc1)-c1nc2c(ccc3ccccc23)o1 Show InChI InChI=1S/C21H20N2O2/c1-23(2)13-14-24-17-10-7-16(8-11-17)21-22-20-18-6-4-3-5-15(18)9-12-19(20)25-21/h3-12H,13-14H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.87E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of of PTP1B (unknown origin) assessed as residual enzyme activity in presence of Triton X-100				Eur J Med Chem 44: 109-16 (2008) Article DOI: 10.1016/j.ejmech.2008.03.009 BindingDB Entry DOI: 10.7270/Q2FN1602
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM93109 (PTP1B Inhibitor, 5) Show SMILES COc1c(ccc2OC(C)(C)C=Cc12)C1=NOC(C1)c1ccccc1 |c:11,t:16| Show InChI InChI=1S/C21H21NO3/c1-21(2)12-11-16-18(24-21)10-9-15(20(16)23-3)17-13-19(25-22-17)14-7-5-4-6-8-14/h4-12,19H,13H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		3.00E+4	n/a	7.00E+4	n/a	n/a	n/a	n/a	7.0	n/a
Central Drug Research Institute,					Assay Description The effect of the test compounds on PTP1B was studied by preincubating the test compound with enzyme in the reaction system for 10 min and determinin...				Medicinal Chemistry Research 17: 123-136 (2008) BindingDB Entry DOI: 10.7270/Q2JQ0ZMG
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50182134 (3-(4,7-dimethoxybenzofuran-5-yl)-5-phenyl-4,5-dihy...) Show SMILES COc1cc(C2=NOC(C2)c2ccccc2)c(OC)c2ccoc12 |t:5| Show InChI InChI=1S/C19H17NO4/c1-21-17-10-14(18(22-2)13-8-9-23-19(13)17)15-11-16(24-20-15)12-6-4-3-5-7-12/h3-10,16H,11H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of PTP1B				Bioorg Med Chem Lett 16: 2139-43 (2006) Article DOI: 10.1016/j.bmcl.2006.01.062 BindingDB Entry DOI: 10.7270/Q29K49ST
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50182131 (3-(4,7-dimethoxybenzofuran-5-yl)-5-(4-methoxypheny...) Show SMILES COc1ccc(cc1)C1CC(=NO1)c1cc(OC)c2occc2c1OC |c:11| Show InChI InChI=1S/C20H19NO5/c1-22-13-6-4-12(5-7-13)17-11-16(21-26-17)15-10-18(23-2)20-14(8-9-25-20)19(15)24-3/h4-10,17H,11H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of PTP1B				Bioorg Med Chem Lett 16: 2139-43 (2006) Article DOI: 10.1016/j.bmcl.2006.01.062 BindingDB Entry DOI: 10.7270/Q29K49ST
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM93111 (PTP1B Inhibitor, 7) Show SMILES COc1c(ccc2OC(C)(C)C=Cc12)C1=NOC(C1)c1ccccn1 |c:11,t:16| Show InChI InChI=1S/C20H20N2O3/c1-20(2)10-9-14-17(24-20)8-7-13(19(14)23-3)16-12-18(25-22-16)15-6-4-5-11-21-15/h4-11,18H,12H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		3.40E+4	n/a	8.70E+4	n/a	n/a	n/a	n/a	7.0	n/a
Central Drug Research Institute,					Assay Description The effect of the test compounds on PTP1B was studied by preincubating the test compound with enzyme in the reaction system for 10 min and determinin...				Medicinal Chemistry Research 17: 123-136 (2008) BindingDB Entry DOI: 10.7270/Q2JQ0ZMG
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50266231 (CHEMBL510460 | Dimethyl-[3-(4-naphtho[1,2-d]oxazol...) Show SMILES CN(C)CCCOc1ccc(cc1)-c1nc2c(ccc3ccccc23)o1 Show InChI InChI=1S/C22H22N2O2/c1-24(2)14-5-15-25-18-11-8-17(9-12-18)22-23-21-19-7-4-3-6-16(19)10-13-20(21)26-22/h3-4,6-13H,5,14-15H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.41E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of of PTP1B (unknown origin) assessed as residual enzyme activity				Eur J Med Chem 44: 109-16 (2008) Article DOI: 10.1016/j.ejmech.2008.03.009 BindingDB Entry DOI: 10.7270/Q2FN1602
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50266160 (2-[4-(2-Pyrrolidin-1-yl-ethoxy)-phenyl]-naphtho[1,...) Show SMILES C(CN1CCCC1)Oc1ccc(cc1)-c1nc2c(ccc3ccccc23)o1 Show InChI InChI=1S/C23H22N2O2/c1-2-6-20-17(5-1)9-12-21-22(20)24-23(27-21)18-7-10-19(11-8-18)26-16-15-25-13-3-4-14-25/h1-2,5-12H,3-4,13-16H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.42E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of of PTP1B (unknown origin) assessed as residual enzyme activity				Eur J Med Chem 44: 109-16 (2008) Article DOI: 10.1016/j.ejmech.2008.03.009 BindingDB Entry DOI: 10.7270/Q2FN1602
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50266159 (CHEMBL506882 | Diethyl-[2-(4-naphtho[1,2-d]oxazol-...) Show SMILES CCN(CC)CCOc1ccc(cc1)-c1nc2c(ccc3ccccc23)o1 Show InChI InChI=1S/C23H24N2O2/c1-3-25(4-2)15-16-26-19-12-9-18(10-13-19)23-24-22-20-8-6-5-7-17(20)11-14-21(22)27-23/h5-14H,3-4,15-16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of of PTP1B (unknown origin) assessed as residual enzyme activity				Eur J Med Chem 44: 109-16 (2008) Article DOI: 10.1016/j.ejmech.2008.03.009 BindingDB Entry DOI: 10.7270/Q2FN1602
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50266231 (CHEMBL510460 | Dimethyl-[3-(4-naphtho[1,2-d]oxazol...) Show SMILES CN(C)CCCOc1ccc(cc1)-c1nc2c(ccc3ccccc23)o1 Show InChI InChI=1S/C22H22N2O2/c1-24(2)14-5-15-25-18-11-8-17(9-12-18)22-23-21-19-7-4-3-6-16(19)10-13-20(21)26-22/h3-4,6-13H,5,14-15H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.63E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of of PTP1B (unknown origin) assessed as residual enzyme activity in presence of Triton X-100				Eur J Med Chem 44: 109-16 (2008) Article DOI: 10.1016/j.ejmech.2008.03.009 BindingDB Entry DOI: 10.7270/Q2FN1602
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50266160 (2-[4-(2-Pyrrolidin-1-yl-ethoxy)-phenyl]-naphtho[1,...) Show SMILES C(CN1CCCC1)Oc1ccc(cc1)-c1nc2c(ccc3ccccc23)o1 Show InChI InChI=1S/C23H22N2O2/c1-2-6-20-17(5-1)9-12-21-22(20)24-23(27-21)18-7-10-19(11-8-18)26-16-15-25-13-3-4-14-25/h1-2,5-12H,3-4,13-16H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of of PTP1B (unknown origin) assessed as residual enzyme activity in presence of Triton X-100				Eur J Med Chem 44: 109-16 (2008) Article DOI: 10.1016/j.ejmech.2008.03.009 BindingDB Entry DOI: 10.7270/Q2FN1602
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50266232 (CHEMBL458009 | Diethyl-[3-(4-naphtho[1,2-d]oxazol-...) Show SMILES CCN(CC)CCCOc1ccc(cc1)-c1nc2c(ccc3ccccc23)o1 Show InChI InChI=1S/C24H26N2O2/c1-3-26(4-2)16-7-17-27-20-13-10-19(11-14-20)24-25-23-21-9-6-5-8-18(21)12-15-22(23)28-24/h5-6,8-15H,3-4,7,16-17H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.05E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of of PTP1B (unknown origin) assessed as residual enzyme activity				Eur J Med Chem 44: 109-16 (2008) Article DOI: 10.1016/j.ejmech.2008.03.009 BindingDB Entry DOI: 10.7270/Q2FN1602
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50266162 (Butyl-methyl-[2-(4-naphtho[1,2-d]oxazol-2-yl-pheno...) Show SMILES CCCCN(C)CCOc1ccc(cc1)-c1nc2c(ccc3ccccc23)o1 Show InChI InChI=1S/C24H26N2O2/c1-3-4-15-26(2)16-17-27-20-12-9-19(10-13-20)24-25-23-21-8-6-5-7-18(21)11-14-22(23)28-24/h5-14H,3-4,15-17H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of of PTP1B (unknown origin) assessed as residual enzyme activity in presence of Triton X-100				Eur J Med Chem 44: 109-16 (2008) Article DOI: 10.1016/j.ejmech.2008.03.009 BindingDB Entry DOI: 10.7270/Q2FN1602
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50266232 (CHEMBL458009 | Diethyl-[3-(4-naphtho[1,2-d]oxazol-...) Show SMILES CCN(CC)CCCOc1ccc(cc1)-c1nc2c(ccc3ccccc23)o1 Show InChI InChI=1S/C24H26N2O2/c1-3-26(4-2)16-7-17-27-20-13-10-19(11-14-20)24-25-23-21-9-6-5-8-18(21)12-15-22(23)28-24/h5-6,8-15H,3-4,7,16-17H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of of PTP1B (unknown origin) assessed as residual enzyme activity in presence of Triton X-100				Eur J Med Chem 44: 109-16 (2008) Article DOI: 10.1016/j.ejmech.2008.03.009 BindingDB Entry DOI: 10.7270/Q2FN1602
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50266162 (Butyl-methyl-[2-(4-naphtho[1,2-d]oxazol-2-yl-pheno...) Show SMILES CCCCN(C)CCOc1ccc(cc1)-c1nc2c(ccc3ccccc23)o1 Show InChI InChI=1S/C24H26N2O2/c1-3-4-15-26(2)16-17-27-20-12-9-19(10-13-20)24-25-23-21-8-6-5-7-18(21)11-14-22(23)28-24/h5-14H,3-4,15-17H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.44E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of of PTP1B (unknown origin) assessed as residual enzyme activity				Eur J Med Chem 44: 109-16 (2008) Article DOI: 10.1016/j.ejmech.2008.03.009 BindingDB Entry DOI: 10.7270/Q2FN1602
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50182135 (3-(4-methoxybenzofuran-5-yl)-5-phenyl-4,5-dihydroi...) Show SMILES COc1c(ccc2occc12)C1=NOC(C1)c1ccccc1 |t:13| Show InChI InChI=1S/C18H15NO3/c1-20-18-13(7-8-16-14(18)9-10-21-16)15-11-17(22-19-15)12-5-3-2-4-6-12/h2-10,17H,11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of PTP1B				Bioorg Med Chem Lett 16: 2139-43 (2006) Article DOI: 10.1016/j.bmcl.2006.01.062 BindingDB Entry DOI: 10.7270/Q29K49ST
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM93113 (PTP1B Inhibitor, 11) Show SMILES COc1ccc(cc1)C1CC(=NO1)c1ccc(C=O)cc1OC |c:11| Show InChI InChI=1S/C18H17NO4/c1-21-14-6-4-13(5-7-14)17-10-16(19-23-17)15-8-3-12(11-20)9-18(15)22-2/h3-9,11,17H,10H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		4.80E+4	n/a	6.70E+4	n/a	n/a	n/a	n/a	7.0	n/a
Central Drug Research Institute,					Assay Description The effect of the test compounds on PTP1B was studied by preincubating the test compound with enzyme in the reaction system for 10 min and determinin...				Medicinal Chemistry Research 17: 123-136 (2008) BindingDB Entry DOI: 10.7270/Q2JQ0ZMG
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM93112 (PTP1B Inhibitor, 10) Show SMILES COc1cc(C=O)ccc1C1=NOC(C1)c1ccccc1 |t:11| Show InChI InChI=1S/C17H15NO3/c1-20-17-9-12(11-19)7-8-14(17)15-10-16(21-18-15)13-5-3-2-4-6-13/h2-9,11,16H,10H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		4.80E+4	n/a	6.90E+4	n/a	n/a	n/a	n/a	7.0	n/a
Central Drug Research Institute,					Assay Description The effect of the test compounds on PTP1B was studied by preincubating the test compound with enzyme in the reaction system for 10 min and determinin...				Medicinal Chemistry Research 17: 123-136 (2008) BindingDB Entry DOI: 10.7270/Q2JQ0ZMG
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50487368 (CHEMBL2259740) Show SMILES COc1ccc(C2=NOC(C2)c2ccccc2)c(OC)c1 |t:6| Show InChI InChI=1S/C17H17NO3/c1-19-13-8-9-14(17(10-13)20-2)15-11-16(21-18-15)12-6-4-3-5-7-12/h3-10,16H,11H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		4.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute,					Assay Description The effect of the test compounds on PTP1B was studied by preincubating the test compound with enzyme in the reaction system for 10 min and determinin...				Medicinal Chemistry Research 17: 123-136 (2008) BindingDB Entry DOI: 10.7270/Q2JQ0ZMG
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50487364 (CHEMBL2259741) Show SMILES COc1ccc(cc1)C1CC(=NO1)c1ccc(OC)cc1OC |c:11| Show InChI InChI=1S/C18H19NO4/c1-20-13-6-4-12(5-7-13)17-11-16(19-23-17)15-9-8-14(21-2)10-18(15)22-3/h4-10,17H,11H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		4.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute,					Assay Description The effect of the test compounds on PTP1B was studied by preincubating the test compound with enzyme in the reaction system for 10 min and determinin...				Medicinal Chemistry Research 17: 123-136 (2008) BindingDB Entry DOI: 10.7270/Q2JQ0ZMG
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM93110 (PTP1B Inhibitor, 6) Show SMILES COc1ccc(cc1)C1CC(=NO1)c1ccc2OC(C)(C)C=Cc2c1OC |c:11,23| Show InChI InChI=1S/C22H23NO4/c1-22(2)12-11-17-19(26-22)10-9-16(21(17)25-4)18-13-20(27-23-18)14-5-7-15(24-3)8-6-14/h5-12,20H,13H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		5.60E+4	n/a	9.10E+4	n/a	n/a	n/a	n/a	7.0	n/a
Central Drug Research Institute,					Assay Description The effect of the test compounds on PTP1B was studied by preincubating the test compound with enzyme in the reaction system for 10 min and determinin...				Medicinal Chemistry Research 17: 123-136 (2008) BindingDB Entry DOI: 10.7270/Q2JQ0ZMG
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM93116 (PTP1B Inhibitor, 14) Show SMILES COc1cc(C=O)ccc1C1=NOC(C1)n1ccnc1 |t:11| Show InChI InChI=1S/C14H13N3O3/c1-19-13-6-10(8-18)2-3-11(13)12-7-14(20-16-12)17-5-4-15-9-17/h2-6,8-9,14H,7H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		6.30E+4	n/a	8.80E+4	n/a	n/a	n/a	n/a	7.0	n/a
Central Drug Research Institute,					Assay Description The effect of the test compounds on PTP1B was studied by preincubating the test compound with enzyme in the reaction system for 10 min and determinin...				Medicinal Chemistry Research 17: 123-136 (2008) BindingDB Entry DOI: 10.7270/Q2JQ0ZMG
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50487366 (CHEMBL2259730) Show SMILES COc1ccc(C2=NOC(C2)n2ccnc2)c(OC)c1 |t:6| Show InChI InChI=1S/C14H15N3O3/c1-18-10-3-4-11(13(7-10)19-2)12-8-14(20-16-12)17-6-5-15-9-17/h3-7,9,14H,8H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		6.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute,					Assay Description The effect of the test compounds on PTP1B was studied by preincubating the test compound with enzyme in the reaction system for 10 min and determinin...				Medicinal Chemistry Research 17: 123-136 (2008) BindingDB Entry DOI: 10.7270/Q2JQ0ZMG
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50182132 (CHEMBL205730 | methyl 3-(4-methoxybenzofuran-5-yl)...) Show SMILES COC(=O)C1C(ON=C1c1ccc2occc2c1OC)c1ccccc1 |c:7| Show InChI InChI=1S/C20H17NO5/c1-23-19-13-10-11-25-15(13)9-8-14(19)17-16(20(22)24-2)18(26-21-17)12-6-4-3-5-7-12/h3-11,16,18H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.25E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of PTP1B				Bioorg Med Chem Lett 16: 2139-43 (2006) Article DOI: 10.1016/j.bmcl.2006.01.062 BindingDB Entry DOI: 10.7270/Q29K49ST
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM93117 (PTP1B Inhibitor, 15) Show SMILES COC(=O)C1C(ON=C1c1ccc(C=O)cc1OC)c1ccccc1 |c:7| Show InChI InChI=1S/C19H17NO5/c1-23-15-10-12(11-21)8-9-14(15)17-16(19(22)24-2)18(25-20-17)13-6-4-3-5-7-13/h3-11,16,18H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		1.35E+5	n/a	1.65E+5	n/a	n/a	n/a	n/a	7.0	n/a
Central Drug Research Institute,					Assay Description The effect of the test compounds on PTP1B was studied by preincubating the test compound with enzyme in the reaction system for 10 min and determinin...				Medicinal Chemistry Research 17: 123-136 (2008) BindingDB Entry DOI: 10.7270/Q2JQ0ZMG
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50487365 (CHEMBL2259731) Show SMILES COC(=O)C1C(ON=C1c1ccc(OC)cc1OC)c1ccccc1 |c:7| Show InChI InChI=1S/C19H19NO5/c1-22-13-9-10-14(15(11-13)23-2)17-16(19(21)24-3)18(25-20-17)12-7-5-4-6-8-12/h4-11,16,18H,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		1.35E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute,					Assay Description The effect of the test compounds on PTP1B was studied by preincubating the test compound with enzyme in the reaction system for 10 min and determinin...				Medicinal Chemistry Research 17: 123-136 (2008) BindingDB Entry DOI: 10.7270/Q2JQ0ZMG
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM93115 (PTP1B Inhibitor, 13) Show SMILES COc1cc(C=O)ccc1C1=NOC(C1)c1ccncc1 |t:11| Show InChI InChI=1S/C16H14N2O3/c1-20-16-8-11(10-19)2-3-13(16)14-9-15(21-18-14)12-4-6-17-7-5-12/h2-8,10,15H,9H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		1.50E+5	n/a	2.75E+5	n/a	n/a	n/a	n/a	7.0	n/a
Central Drug Research Institute,					Assay Description The effect of the test compounds on PTP1B was studied by preincubating the test compound with enzyme in the reaction system for 10 min and determinin...				Medicinal Chemistry Research 17: 123-136 (2008) BindingDB Entry DOI: 10.7270/Q2JQ0ZMG
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50487367 (CHEMBL2259743) Show SMILES COc1ccc(C2=NOC(C2)c2ccncc2)c(OC)c1 |t:6| Show InChI InChI=1S/C16H16N2O3/c1-19-12-3-4-13(16(9-12)20-2)14-10-15(21-18-14)11-5-7-17-8-6-11/h3-9,15H,10H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute,					Assay Description The effect of the test compounds on PTP1B was studied by preincubating the test compound with enzyme in the reaction system for 10 min and determinin...				Medicinal Chemistry Research 17: 123-136 (2008) BindingDB Entry DOI: 10.7270/Q2JQ0ZMG
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM93114 (PTP1B Inhibitor, 12) Show SMILES COc1cc(C=O)ccc1C1=NOC(C1)c1ccccn1 |t:11| Show InChI InChI=1S/C16H14N2O3/c1-20-15-8-11(10-19)5-6-12(15)14-9-16(21-18-14)13-4-2-3-7-17-13/h2-8,10,16H,9H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		1.70E+5	n/a	4.85E+5	n/a	n/a	n/a	n/a	7.0	n/a
Central Drug Research Institute,					Assay Description The effect of the test compounds on PTP1B was studied by preincubating the test compound with enzyme in the reaction system for 10 min and determinin...				Medicinal Chemistry Research 17: 123-136 (2008) BindingDB Entry DOI: 10.7270/Q2JQ0ZMG
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50487369 (CHEMBL2259742) Show SMILES COc1ccc(C2=NOC(C2)c2ccccn2)c(OC)c1 |t:6| Show InChI InChI=1S/C16H16N2O3/c1-19-11-6-7-12(15(9-11)20-2)14-10-16(21-18-14)13-5-3-4-8-17-13/h3-9,16H,10H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		1.70E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute,					Assay Description The effect of the test compounds on PTP1B was studied by preincubating the test compound with enzyme in the reaction system for 10 min and determinin...				Medicinal Chemistry Research 17: 123-136 (2008) BindingDB Entry DOI: 10.7270/Q2JQ0ZMG
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50266159 (CHEMBL506882 | Diethyl-[2-(4-naphtho[1,2-d]oxazol-...) Show SMILES CCN(CC)CCOc1ccc(cc1)-c1nc2c(ccc3ccccc23)o1 Show InChI InChI=1S/C23H24N2O2/c1-3-25(4-2)15-16-26-19-12-9-18(10-13-19)23-24-22-20-8-6-5-7-17(20)11-14-21(22)27-23/h5-14H,3-4,15-16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.55E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of of PTP1B (unknown origin) assessed as residual enzyme activity in presence of Triton X-100				Eur J Med Chem 44: 109-16 (2008) Article DOI: 10.1016/j.ejmech.2008.03.009 BindingDB Entry DOI: 10.7270/Q2FN1602
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50346150 (5-(2-(2-(1H-pyrrol-1-yl)ethoxy)-4-methoxyphenyl)-3...) Show SMILES COc1ccc(-c2cc(no2)-c2ccccc2)c(OCCN2CCCC2)c1 Show InChI InChI=1S/C22H24N2O3/c1-25-18-9-10-19(21(15-18)26-14-13-24-11-5-6-12-24)22-16-20(23-27-22)17-7-3-2-4-8-17/h2-4,7-10,15-16H,5-6,11-14H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of protein tyrosine phosphatase-1B at 10 uM incubated for 10 mins using pNPP substrate in absence of Triton X-100 by modified Goldstein me...				Bioorg Med Chem 17: 5285-92 (2009) Article DOI: 10.1016/j.bmc.2009.05.033 BindingDB Entry DOI: 10.7270/Q2J966QV
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50346150 (5-(2-(2-(1H-pyrrol-1-yl)ethoxy)-4-methoxyphenyl)-3...) Show SMILES COc1ccc(-c2cc(no2)-c2ccccc2)c(OCCN2CCCC2)c1 Show InChI InChI=1S/C22H24N2O3/c1-25-18-9-10-19(21(15-18)26-14-13-24-11-5-6-12-24)22-16-20(23-27-22)17-7-3-2-4-8-17/h2-4,7-10,15-16H,5-6,11-14H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of protein tyrosine phosphatase-1B at 10 uM incubated for 10 mins using pNPP substrate in presence of 0.01% Triton X-100 by modified Golds...				Bioorg Med Chem 17: 5285-92 (2009) Article DOI: 10.1016/j.bmc.2009.05.033 BindingDB Entry DOI: 10.7270/Q2J966QV
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50266161 (2-[4-(2-Piperidine-1-yl-ethoxy)-phenyl]-naphtho[1,...) Show SMILES C(CN1CCCCC1)Oc1ccc(cc1)-c1nc2c(ccc3ccccc23)o1 Show InChI InChI=1S/C24H24N2O2/c1-4-14-26(15-5-1)16-17-27-20-11-8-19(9-12-20)24-25-23-21-7-3-2-6-18(21)10-13-22(23)28-24/h2-3,6-13H,1,4-5,14-17H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of of PTP1B (unknown origin) assessed as residual enzyme activity in presence of Triton X-100				Eur J Med Chem 44: 109-16 (2008) Article DOI: 10.1016/j.ejmech.2008.03.009 BindingDB Entry DOI: 10.7270/Q2FN1602
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50266161 (2-[4-(2-Piperidine-1-yl-ethoxy)-phenyl]-naphtho[1,...) Show SMILES C(CN1CCCCC1)Oc1ccc(cc1)-c1nc2c(ccc3ccccc23)o1 Show InChI InChI=1S/C24H24N2O2/c1-4-14-26(15-5-1)16-17-27-20-11-8-19(9-12-20)24-25-23-21-7-3-2-6-18(21)10-13-22(23)28-24/h2-3,6-13H,1,4-5,14-17H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of of PTP1B (unknown origin) assessed as residual enzyme activity				Eur J Med Chem 44: 109-16 (2008) Article DOI: 10.1016/j.ejmech.2008.03.009 BindingDB Entry DOI: 10.7270/Q2FN1602
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50516934 (CHEMBL4468611) Show SMILES CCCCC(O)(c1c(NC(=O)OCC)[nH]c2ccc(Br)cc12)C(F)(F)F Show InChI InChI=1S/C17H20BrF3N2O3/c1-3-5-8-16(25,17(19,20)21)13-11-9-10(18)6-7-12(11)22-14(13)23-15(24)26-4-2/h6-7,9,22,25H,3-5,8H2,1-2H3,(H,23,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.93E+3	n/a	n/a	n/a	n/a	n/a	n/a
ISF College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of HIV1 3B Y181C mutant infected in human MT2 cells assessed as reduction in virus-induced cytopathogenicity after 3 days by BrightGlo luc...				Eur J Med Chem 180: 562-612 (2019) Article DOI: 10.1016/j.ejmech.2019.07.019 BindingDB Entry DOI: 10.7270/Q2K93BWX
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50346151 (4-(2-(5-methoxy-2-(3-phenylisoxazol-5-yl)phenoxy)e...) Show SMILES COc1ccc(-c2cc(no2)-c2ccccc2)c(OCCN2CCOCC2)c1 Show InChI InChI=1S/C22H24N2O4/c1-25-18-7-8-19(21(15-18)27-14-11-24-9-12-26-13-10-24)22-16-20(23-28-22)17-5-3-2-4-6-17/h2-8,15-16H,9-14H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of protein tyrosine phosphatase-1B at 10 uM incubated for 10 mins using pNPP substrate in absence of Triton X-100 by modified Goldstein me...				Bioorg Med Chem 17: 5285-92 (2009) Article DOI: 10.1016/j.bmc.2009.05.033 BindingDB Entry DOI: 10.7270/Q2J966QV
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50266162 (Butyl-methyl-[2-(4-naphtho[1,2-d]oxazol-2-yl-pheno...) Show SMILES CCCCN(C)CCOc1ccc(cc1)-c1nc2c(ccc3ccccc23)o1 Show InChI InChI=1S/C24H26N2O2/c1-3-4-15-26(2)16-17-27-20-12-9-19(10-13-20)24-25-23-21-8-6-5-7-18(21)11-14-22(23)28-24/h5-14H,3-4,15-17H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of of PTP1B (unknown origin) assessed as residual enzyme activity				Eur J Med Chem 44: 109-16 (2008) Article DOI: 10.1016/j.ejmech.2008.03.009 BindingDB Entry DOI: 10.7270/Q2FN1602
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50266162 (Butyl-methyl-[2-(4-naphtho[1,2-d]oxazol-2-yl-pheno...) Show SMILES CCCCN(C)CCOc1ccc(cc1)-c1nc2c(ccc3ccccc23)o1 Show InChI InChI=1S/C24H26N2O2/c1-3-4-15-26(2)16-17-27-20-12-9-19(10-13-20)24-25-23-21-8-6-5-7-18(21)11-14-22(23)28-24/h5-14H,3-4,15-17H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of of PTP1B (unknown origin) assessed as residual enzyme activity in presence of Triton X-100				Eur J Med Chem 44: 109-16 (2008) Article DOI: 10.1016/j.ejmech.2008.03.009 BindingDB Entry DOI: 10.7270/Q2FN1602
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50346151 (4-(2-(5-methoxy-2-(3-phenylisoxazol-5-yl)phenoxy)e...) Show SMILES COc1ccc(-c2cc(no2)-c2ccccc2)c(OCCN2CCOCC2)c1 Show InChI InChI=1S/C22H24N2O4/c1-25-18-7-8-19(21(15-18)27-14-11-24-9-12-26-13-10-24)22-16-20(23-28-22)17-5-3-2-4-6-17/h2-8,15-16H,9-14H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.61E+3	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of protein tyrosine phosphatase-1B at 10 uM incubated for 10 mins using pNPP substrate in presence of 0.01% Triton X-100 by modified Golds...				Bioorg Med Chem 17: 5285-92 (2009) Article DOI: 10.1016/j.bmc.2009.05.033 BindingDB Entry DOI: 10.7270/Q2J966QV
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50346148 (CHEMBL1783773 | N,N-diethyl-2-(5-methoxy-2-(3-phen...) Show SMILES CCN(CC)CCOc1cc(OC)ccc1-c1cc(no1)-c1ccccc1 Show InChI InChI=1S/C22H26N2O3/c1-4-24(5-2)13-14-26-21-15-18(25-3)11-12-19(21)22-16-20(23-27-22)17-9-7-6-8-10-17/h6-12,15-16H,4-5,13-14H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of protein tyrosine phosphatase-1B at 10 uM incubated for 10 mins using pNPP substrate in presence of 0.01% Triton X-100 by modified Golds...				Bioorg Med Chem 17: 5285-92 (2009) Article DOI: 10.1016/j.bmc.2009.05.033 BindingDB Entry DOI: 10.7270/Q2J966QV
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50320877 (4-(4-Fluorophenyl)-7,7-dimethyl-2-phenyl-4,6,7,8-t...) Show SMILES CC1(C)CC(=O)C2C(C=C(N=C2C1)c1ccccc1)c1ccc(F)cc1 |c:8,10| Show InChI InChI=1S/C23H22FNO/c1-23(2)13-20-22(21(26)14-23)18(15-8-10-17(24)11-9-15)12-19(25-20)16-6-4-3-5-7-16/h3-12,18,22H,13-14H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of PTP1B assessed as p-nitrophenolate ion production pretreated for 10 mins measured after 30 mins				Bioorg Med Chem 18: 4138-48 (2010) Article DOI: 10.1016/j.bmc.2009.11.061 BindingDB Entry DOI: 10.7270/Q2DJ5FSF
					More data for this Ligand-Target Pair

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