Compile Data Set for Download or QSAR

Found 3957 hits with Last Name = 'srivastava' and Initial = 'a'   

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
Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50035670 (CHEMBL3338456) Show SMILES NNC(=O)CC(=O)Nc1ccc(F)c(Cl)c1 Show InChI InChI=1S/C9H9ClFN3O2/c10-6-3-5(1-2-7(6)11)13-8(15)4-9(16)14-12/h1-3H,4,12H2,(H,13,15)(H,14,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.53E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis PknB				Bioorg Med Chem Lett 24: 5181-4 (2014) Article DOI: 10.1016/j.bmcl.2014.09.080 BindingDB Entry DOI: 10.7270/Q29G5PDS
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50261135 (CHEMBL525938 | LMNNAEHINQFYMFI) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(C)C)[C@@H](C)CC)C(O)=O |r| Show InChI InChI=1S/C86H125N21O23S2/c1-10-45(5)70(106-84(127)61(38-51-42-92-43-93-51)102-75(118)55(27-29-69(113)114)95-72(115)47(7)94-78(121)62(39-66(89)110)104-82(125)63(40-67(90)111)103-76(119)56(30-32-131-8)96-73(116)53(87)34-44(3)4)85(128)105-64(41-68(91)112)81(124)97-54(26-28-65(88)109)74(117)99-58(35-48-18-14-12-15-19-48)80(123)101-59(37-50-22-24-52(108)25-23-50)79(122)98-57(31-33-132-9)77(120)100-60(36-49-20-16-13-17-21-49)83(126)107-71(86(129)130)46(6)11-2/h12-25,42-47,53-64,70-71,108H,10-11,26-41,87H2,1-9H3,(H2,88,109)(H2,89,110)(H2,90,111)(H2,91,112)(H,92,93)(H,94,121)(H,95,115)(H,96,116)(H,97,124)(H,98,122)(H,99,117)(H,100,120)(H,101,123)(H,102,118)(H,103,119)(H,104,125)(H,105,128)(H,106,127)(H,107,126)(H,113,114)(H,129,130)/t45-,46-,47-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,70-,71-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
International Center for Genetic Engineering and Biotechnology Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant falcipain-2				J Med Chem 51: 3116-23 (2008) Article DOI: 10.1021/jm070735f BindingDB Entry DOI: 10.7270/Q20G3JZR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50035656 (CHEMBL1986389) Show SMILES NNC(=O)CC(=O)Nc1ccc(cc1)C(O)=O Show InChI InChI=1S/C10H11N3O4/c11-13-9(15)5-8(14)12-7-3-1-6(2-4-7)10(16)17/h1-4H,5,11H2,(H,12,14)(H,13,15)(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.86E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis PknB				Bioorg Med Chem Lett 24: 5181-4 (2014) Article DOI: 10.1016/j.bmcl.2014.09.080 BindingDB Entry DOI: 10.7270/Q29G5PDS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50035662 (CHEMBL3338464) Show SMILES COc1ccc(NC(=O)CC(=O)NN)c(OC)c1 Show InChI InChI=1S/C11H15N3O4/c1-17-7-3-4-8(9(5-7)18-2)13-10(15)6-11(16)14-12/h3-5H,6,12H2,1-2H3,(H,13,15)(H,14,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis PknB				Bioorg Med Chem Lett 24: 5181-4 (2014) Article DOI: 10.1016/j.bmcl.2014.09.080 BindingDB Entry DOI: 10.7270/Q29G5PDS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50035666 (CHEMBL3338460) Show SMILES NNC(=O)CC(=O)Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O Show InChI InChI=1S/C9H9N5O6/c10-12-9(16)4-8(15)11-6-2-1-5(13(17)18)3-7(6)14(19)20/h1-3H,4,10H2,(H,11,15)(H,12,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.38E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis PknB				Bioorg Med Chem Lett 24: 5181-4 (2014) Article DOI: 10.1016/j.bmcl.2014.09.080 BindingDB Entry DOI: 10.7270/Q29G5PDS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50035663 (CHEMBL3338463) Show SMILES COc1ccc(OC)c(NC(=O)CC(=O)NN)c1 Show InChI InChI=1S/C11H15N3O4/c1-17-7-3-4-9(18-2)8(5-7)13-10(15)6-11(16)14-12/h3-5H,6,12H2,1-2H3,(H,13,15)(H,14,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis PknB				Bioorg Med Chem Lett 24: 5181-4 (2014) Article DOI: 10.1016/j.bmcl.2014.09.080 BindingDB Entry DOI: 10.7270/Q29G5PDS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50035657 (CHEMBL3338469) Show SMILES NNC(=O)CC(=O)Nc1ccccc1C(O)=O Show InChI InChI=1S/C10H11N3O4/c11-13-9(15)5-8(14)12-7-4-2-1-3-6(7)10(16)17/h1-4H,5,11H2,(H,12,14)(H,13,15)(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.32E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis PknB				Bioorg Med Chem Lett 24: 5181-4 (2014) Article DOI: 10.1016/j.bmcl.2014.09.080 BindingDB Entry DOI: 10.7270/Q29G5PDS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50035658 (CHEMBL3338468) Show SMILES NNC(=O)CC(=O)Nc1ccc(cc1)S(O)(=O)=O Show InChI InChI=1S/C9H11N3O5S/c10-12-9(14)5-8(13)11-6-1-3-7(4-2-6)18(15,16)17/h1-4H,5,10H2,(H,11,13)(H,12,14)(H,15,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	7.59E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis PknB				Bioorg Med Chem Lett 24: 5181-4 (2014) Article DOI: 10.1016/j.bmcl.2014.09.080 BindingDB Entry DOI: 10.7270/Q29G5PDS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50035665 (CHEMBL3338461) Show SMILES NNC(=O)CC(=O)Nc1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C9H9Cl2N3O2/c10-5-1-6(11)3-7(2-5)13-8(15)4-9(16)14-12/h1-3H,4,12H2,(H,13,15)(H,14,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.68E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis PknB				Bioorg Med Chem Lett 24: 5181-4 (2014) Article DOI: 10.1016/j.bmcl.2014.09.080 BindingDB Entry DOI: 10.7270/Q29G5PDS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50035659 (CHEMBL3338467) Show SMILES CCCc1ccc(NC(=O)CC(=O)NN)cc1 Show InChI InChI=1S/C12H17N3O2/c1-2-3-9-4-6-10(7-5-9)14-11(16)8-12(17)15-13/h4-7H,2-3,8,13H2,1H3,(H,14,16)(H,15,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9.04E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis PknB				Bioorg Med Chem Lett 24: 5181-4 (2014) Article DOI: 10.1016/j.bmcl.2014.09.080 BindingDB Entry DOI: 10.7270/Q29G5PDS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50035664 (CHEMBL3338462) Show SMILES NNC(=O)CC(=O)Nc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C9H9Cl2N3O2/c10-6-2-1-5(3-7(6)11)13-8(15)4-9(16)14-12/h1-3H,4,12H2,(H,13,15)(H,14,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9.21E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis PknB				Bioorg Med Chem Lett 24: 5181-4 (2014) Article DOI: 10.1016/j.bmcl.2014.09.080 BindingDB Entry DOI: 10.7270/Q29G5PDS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50035667 (CHEMBL3338459) Show SMILES NNC(=O)CC(=O)Nc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C9H10N4O4/c10-12-9(15)5-8(14)11-6-1-3-7(4-2-6)13(16)17/h1-4H,5,10H2,(H,11,14)(H,12,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	1.08E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis PknB				Bioorg Med Chem Lett 24: 5181-4 (2014) Article DOI: 10.1016/j.bmcl.2014.09.080 BindingDB Entry DOI: 10.7270/Q29G5PDS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50035668 (CHEMBL3338458) Show SMILES NNC(=O)CC(=O)Nc1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C9H10N4O4/c10-12-9(15)5-8(14)11-6-2-1-3-7(4-6)13(16)17/h1-4H,5,10H2,(H,11,14)(H,12,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis PknB				Bioorg Med Chem Lett 24: 5181-4 (2014) Article DOI: 10.1016/j.bmcl.2014.09.080 BindingDB Entry DOI: 10.7270/Q29G5PDS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50035661 (CHEMBL3338465) Show SMILES CCN(CC)c1ccc(NC(=O)CC(=O)NN)cc1 Show InChI InChI=1S/C13H20N4O2/c1-3-17(4-2)11-7-5-10(6-8-11)15-12(18)9-13(19)16-14/h5-8H,3-4,9,14H2,1-2H3,(H,15,18)(H,16,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.31E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis PknB				Bioorg Med Chem Lett 24: 5181-4 (2014) Article DOI: 10.1016/j.bmcl.2014.09.080 BindingDB Entry DOI: 10.7270/Q29G5PDS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50035655 (CHEMBL3338470) Show SMILES NNC(=O)CC(=O)NCc1ccco1 Show InChI InChI=1S/C8H11N3O3/c9-11-8(13)4-7(12)10-5-6-2-1-3-14-6/h1-3H,4-5,9H2,(H,10,12)(H,11,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.85E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis PknB				Bioorg Med Chem Lett 24: 5181-4 (2014) Article DOI: 10.1016/j.bmcl.2014.09.080 BindingDB Entry DOI: 10.7270/Q29G5PDS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50035669 (CHEMBL3338457) Show SMILES NNC(=O)CC(=O)Nc1ccccc1[N+]([O-])=O Show InChI InChI=1S/C9H10N4O4/c10-12-9(15)5-8(14)11-6-3-1-2-4-7(6)13(16)17/h1-4H,5,10H2,(H,11,14)(H,12,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.29E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis PknB				Bioorg Med Chem Lett 24: 5181-4 (2014) Article DOI: 10.1016/j.bmcl.2014.09.080 BindingDB Entry DOI: 10.7270/Q29G5PDS
					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
Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50035660 (CHEMBL3338466) Show SMILES CCCCc1ccc(NC(=O)CC(=O)NN)cc1 Show InChI InChI=1S/C13H19N3O2/c1-2-3-4-10-5-7-11(8-6-10)15-12(17)9-13(18)16-14/h5-8H,2-4,9,14H2,1H3,(H,15,17)(H,16,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.65E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis PknB				Bioorg Med Chem Lett 24: 5181-4 (2014) Article DOI: 10.1016/j.bmcl.2014.09.080 BindingDB Entry DOI: 10.7270/Q29G5PDS
					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))	BDBM50198352 (1-(5-acetyl-6,6'-dihydroxy-2',3'-dihydro-[2,3']-bi...) Show SMILES CC(=O)c1ccc2oc(cc2c1O)-c1coc2ccc(C(C)=O)c(O)c12 Show InChI InChI=1S/C20H14O6/c1-9(21)11-3-5-15-13(19(11)23)7-17(26-15)14-8-25-16-6-4-12(10(2)22)20(24)18(14)16/h3-8,23-24H,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 in presence of 0.01% Triton X-100				Bioorg Med Chem 15: 727-34 (2006) Article DOI: 10.1016/j.bmc.2006.10.053 BindingDB Entry DOI: 10.7270/Q2CR5T1W
					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))	BDBM50198349 (7-(4-methoxy-phenyl)-furo[3,2-g]chromen-5-one | CH...) Show SMILES COc1ccc(cc1)-c1cc(=O)c2cc3ccoc3cc2o1 Show InChI InChI=1S/C18H12O4/c1-20-13-4-2-11(3-5-13)17-9-15(19)14-8-12-6-7-21-16(12)10-18(14)22-17/h2-10H,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	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 15: 727-34 (2006) Article DOI: 10.1016/j.bmc.2006.10.053 BindingDB Entry DOI: 10.7270/Q2CR5T1W
					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))	BDBM50198352 (1-(5-acetyl-6,6'-dihydroxy-2',3'-dihydro-[2,3']-bi...) Show SMILES CC(=O)c1ccc2oc(cc2c1O)-c1coc2ccc(C(C)=O)c(O)c12 Show InChI InChI=1S/C20H14O6/c1-9(21)11-3-5-15-13(19(11)23)7-17(26-15)14-8-25-16-6-4-12(10(2)22)20(24)18(14)16/h3-8,23-24H,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 PTP1B				Bioorg Med Chem 15: 727-34 (2006) Article DOI: 10.1016/j.bmc.2006.10.053 BindingDB Entry DOI: 10.7270/Q2CR5T1W
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50198349 (7-(4-methoxy-phenyl)-furo[3,2-g]chromen-5-one | CH...) Show SMILES COc1ccc(cc1)-c1cc(=O)c2cc3ccoc3cc2o1 Show InChI InChI=1S/C18H12O4/c1-20-13-4-2-11(3-5-13)17-9-15(19)14-8-12-6-7-21-16(12)10-18(14)22-17/h2-10H,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	3.60E+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 in presence of 0.01% Triton X-100				Bioorg Med Chem 15: 727-34 (2006) Article DOI: 10.1016/j.bmc.2006.10.053 BindingDB Entry DOI: 10.7270/Q2CR5T1W
					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))	BDBM50198350 (1-(5-acetyl-4,4'-dihydroxy-2',3'-dihydro-[2,3']bib...) Show SMILES CC(=O)c1cc2cc(oc2cc1O)-c1coc2cc(O)c(cc12)C(C)=O Show InChI InChI=1S/C20H14O6/c1-9(21)12-3-11-4-20(26-18(11)6-16(12)23)15-8-25-19-7-17(24)13(10(2)22)5-14(15)19/h3-8,23-24H,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	3.70E+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 PTP1B				Bioorg Med Chem 15: 727-34 (2006) Article DOI: 10.1016/j.bmc.2006.10.053 BindingDB Entry DOI: 10.7270/Q2CR5T1W
					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))	BDBM50198348 (7-phenyl-furo[3,2-g]chromen-5-one | CHEMBL388814) Show SMILES O=c1cc(oc2cc3occc3cc12)-c1ccccc1 Show InChI InChI=1S/C17H10O3/c18-14-9-16(11-4-2-1-3-5-11)20-17-10-15-12(6-7-19-15)8-13(14)17/h1-10H	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 in presence of 0.01% Triton X-100				Bioorg Med Chem 15: 727-34 (2006) Article DOI: 10.1016/j.bmc.2006.10.053 BindingDB Entry DOI: 10.7270/Q2CR5T1W
					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))	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))	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))	BDBM50198351 (1-(7'-acetyl-6,6'-dihydroxy-2',3'-dihydro-[2,3']bi...) Show SMILES CC(=O)c1c(O)ccc2cc(oc12)-c1coc2c(C(C)=O)c(O)ccc12 Show InChI InChI=1S/C20H14O6/c1-9(21)17-14(23)5-3-11-7-16(26-19(11)17)13-8-25-20-12(13)4-6-15(24)18(20)10(2)22/h3-8,23-24H,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	5.40E+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 in presence of 0.01% Triton X-100				Bioorg Med Chem 15: 727-34 (2006) Article DOI: 10.1016/j.bmc.2006.10.053 BindingDB Entry DOI: 10.7270/Q2CR5T1W
					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))	BDBM50198348 (7-phenyl-furo[3,2-g]chromen-5-one | CHEMBL388814) Show SMILES O=c1cc(oc2cc3occc3cc12)-c1ccccc1 Show InChI InChI=1S/C17H10O3/c18-14-9-16(11-4-2-1-3-5-11)20-17-10-15-12(6-7-19-15)8-13(14)17/h1-10H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.70E+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 PTP1B				Bioorg Med Chem 15: 727-34 (2006) Article DOI: 10.1016/j.bmc.2006.10.053 BindingDB Entry DOI: 10.7270/Q2CR5T1W
					More data for this Ligand-Target Pair

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