Compile Data Set for Download or QSAR

Found 344 hits with Last Name = 'zeng' and Initial = 'lf'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50379185 (CHEMBL1232859) Show SMILES N[C@@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)C(O)=O |r| Show InChI InChI=1S/C10H12F2NO5P/c11-10(12,19(16,17)18)7-3-1-6(2-4-7)5-8(13)9(14)15/h1-4,8H,5,13H2,(H,14,15)(H2,16,17,18)/t8-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University Curated by ChEMBL					Assay Description Inhibition of PTP1B expressed in Escherichia coli BL21 (DE3) cells using p-nitrophenyl phosphate as substrate after 2 to 3 mins by spectrophotometric...				Bioorg Med Chem 20: 1940-6 (2012) Article DOI: 10.1016/j.bmc.2011.11.004 BindingDB Entry DOI: 10.7270/Q23J3DZQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50112356 (CHEMBL3609373) Show SMILES OS(=O)(=O)C(C(=O)Nc1ccc(NC(=O)C(=O)Nc2ccc(I)cc2)cc1)c1ccccc1 Show InChI InChI=1S/C22H18IN3O6S/c23-15-6-8-16(9-7-15)25-21(28)22(29)26-18-12-10-17(11-13-18)24-20(27)19(33(30,31)32)14-4-2-1-3-5-14/h1-13,19H,(H,24,27)(H,25,28)(H,26,29)(H,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Competitive inhibition of phosphatase activity of SHP2 (unknown origin) using pNPP as a substrate Lineweaver-Burk plot analysis				ACS Med Chem Lett 6: 782-6 (2015) Article DOI: 10.1021/acsmedchemlett.5b00118 BindingDB Entry DOI: 10.7270/Q2251M0S
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50420258 (CEFSULODIN) Show SMILES NC(=O)c1cc[n+](CC2=C(N3[C@H](SC2)[C@H](NC(=O)C(c2ccccc2)S(O)(=O)=O)C3=O)C(O)=O)cc1 |t:8| Show InChI InChI=1S/C22H20N4O8S2/c23-18(27)13-6-8-25(9-7-13)10-14-11-35-21-15(20(29)26(21)16(14)22(30)31)24-19(28)17(36(32,33)34)12-4-2-1-3-5-12/h1-9,15,17,21H,10-11H2,(H4-,23,24,27,28,30,31,32,33,34)/p+1/t15-,17?,21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Competitive inhibition of phosphatase activity of SHP2 (unknown origin) using pNPP as a substrate Lineweaver-Burk plot analysis				ACS Med Chem Lett 6: 782-6 (2015) Article DOI: 10.1021/acsmedchemlett.5b00118 BindingDB Entry DOI: 10.7270/Q2251M0S
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50379182 (CHEMBL289069) Show SMILES OC(=O)c1cc(NCn2c3ccccc3[nH]c2=S)ccc1O Show InChI InChI=1S/C15H13N3O3S/c19-13-6-5-9(7-10(13)14(20)21)16-8-18-12-4-2-1-3-11(12)17-15(18)22/h1-7,16,19H,8H2,(H,17,22)(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	6.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University Curated by ChEMBL					Assay Description Inhibition of PTP1B expressed in Escherichia coli BL21 (DE3) cells using p-nitrophenyl phosphate as substrate after 2 to 3 mins by spectrophotometric...				Bioorg Med Chem 20: 1940-6 (2012) Article DOI: 10.1016/j.bmc.2011.11.004 BindingDB Entry DOI: 10.7270/Q23J3DZQ
					More data for this Ligand-Target Pair
Protein-tyrosine-phosphatase (Yersinia pestis)	BDBM26193 (2-Hydroxybenzoate, I | 2-hydroxybenzoic acid | CHE...) Show SMILES OC(=O)c1ccccc1O Show InChI InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University Curated by ChEMBL					Assay Description Inhibition of Yersinia pseudotuberculosis YopH				Bioorg Med Chem 20: 1940-6 (2012) Article DOI: 10.1016/j.bmc.2011.11.004 BindingDB Entry DOI: 10.7270/Q23J3DZQ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM26193 (2-Hydroxybenzoate, I | 2-hydroxybenzoic acid | CHE...) Show SMILES OC(=O)c1ccccc1O Show InChI InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.94E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University Curated by ChEMBL					Assay Description Inhibition of PTP1B expressed in Escherichia coli BL21 (DE3) cells using p-nitrophenyl phosphate as substrate after 2 to 3 mins by spectrophotometric...				Bioorg Med Chem 20: 1940-6 (2012) Article DOI: 10.1016/j.bmc.2011.11.004 BindingDB Entry DOI: 10.7270/Q23J3DZQ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50485904 (CHEMBL2180591) Show SMILES C[C@H](CO)Nc1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12 |r| Show InChI InChI=1S/C19H19FN4O3/c1-11(10-25)23-18-14-3-2-8-21-15(14)17(26)16(24-18)19(27)22-9-12-4-6-13(20)7-5-12/h2-8,11,25-26H,9-10H2,1H3,(H,22,27)(H,23,24)/t11-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity using [32P]-labeled linear oligonucleotide substrate				J Med Chem 55: 9492-509 (2012) Article DOI: 10.1021/jm300667v BindingDB Entry DOI: 10.7270/Q2KS6VF8
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50485906 (CHEMBL2180587) Show SMILES Oc1c(nc(NCCCCCCNC=O)c2cccnc12)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C23H26FN5O3/c24-17-9-7-16(8-10-17)14-28-23(32)20-21(31)19-18(6-5-13-26-19)22(29-20)27-12-4-2-1-3-11-25-15-30/h5-10,13,15,31H,1-4,11-12,14H2,(H,25,30)(H,27,29)(H,28,32)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity using [32P]-labeled linear oligonucleotide substrate				J Med Chem 55: 9492-509 (2012) Article DOI: 10.1021/jm300667v BindingDB Entry DOI: 10.7270/Q2KS6VF8
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50054344 (CHEMBL3319356 | US9522881, 11a-1 L97M74 | US984453...) Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(cc2)-c2ccsc2)c1 Show InChI InChI=1S/C28H20IN3O5S/c1-32-22-13-23(33)21(28(36)37)12-20(22)24(29)25(32)16-3-2-4-19(11-16)31-27(35)26(34)30-18-7-5-15(6-8-18)17-9-10-38-14-17/h2-14,33H,1H3,(H,30,34)(H,31,35)(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	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of SHP2 (unknown origin) using p-nitrophenyl phosphate substrate by microplate spectrophotometry				J Med Chem 57: 6594-609 (2014) Article DOI: 10.1021/jm5006176 BindingDB Entry DOI: 10.7270/Q24X59FM
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50054257 (CHEMBL3319376 | US9522881, 11a-21 L97L08 | US98445...) Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(cc2)-c2ccc(cc2)C#N)c1 Show InChI InChI=1S/C31H21IN4O5/c1-36-25-15-26(37)24(31(40)41)14-23(25)27(32)28(36)20-3-2-4-22(13-20)35-30(39)29(38)34-21-11-9-19(10-12-21)18-7-5-17(16-33)6-8-18/h2-15,37H,1H3,(H,34,38)(H,35,39)(H,40,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of SHP2 (unknown origin) using p-nitrophenyl phosphate substrate by microplate spectrophotometry				J Med Chem 57: 6594-609 (2014) Article DOI: 10.1021/jm5006176 BindingDB Entry DOI: 10.7270/Q24X59FM
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50485914 (CHEMBL2180590) Show SMILES C[C@@H](CO)Nc1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12 |r| Show InChI InChI=1S/C19H19FN4O3/c1-11(10-25)23-18-14-3-2-8-21-15(14)17(26)16(24-18)19(27)22-9-12-4-6-13(20)7-5-12/h2-8,11,25-26H,9-10H2,1H3,(H,22,27)(H,23,24)/t11-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity using [32P]-labeled linear oligonucleotide substrate				J Med Chem 55: 9492-509 (2012) Article DOI: 10.1021/jm300667v BindingDB Entry DOI: 10.7270/Q2KS6VF8
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50485905 (CHEMBL2180589) Show SMILES OCCNc1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12 Show InChI InChI=1S/C18H17FN4O3/c19-12-5-3-11(4-6-12)10-22-18(26)15-16(25)14-13(2-1-7-20-14)17(23-15)21-8-9-24/h1-7,24-25H,8-10H2,(H,21,23)(H,22,26)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity using [32P]-labeled linear oligonucleotide substrate				J Med Chem 55: 9492-509 (2012) Article DOI: 10.1021/jm300667v BindingDB Entry DOI: 10.7270/Q2KS6VF8
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50021581 (CHEMBL414850 | L-870810) Show SMILES O\C(=N/Cc1ccc(F)cc1)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1O Show InChI InChI=1S/C20H19FN4O4S/c21-14-7-5-13(6-8-14)12-23-20(27)17-18(26)16-15(4-3-9-22-16)19(24-17)25-10-1-2-11-30(25,28)29/h3-9,26H,1-2,10-12H2,(H,23,27)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity using [32P]-labeled linear oligonucleotide substrate				J Med Chem 55: 9492-509 (2012) Article DOI: 10.1021/jm300667v BindingDB Entry DOI: 10.7270/Q2KS6VF8
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50054258 (CHEMBL3319377 | US9522881, 11a-22 L97L07 | US98445...) Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(cc2)-c2cccc(c2)C#N)c1 Show InChI InChI=1S/C31H21IN4O5/c1-36-25-15-26(37)24(31(40)41)14-23(25)27(32)28(36)20-6-3-7-22(13-20)35-30(39)29(38)34-21-10-8-18(9-11-21)19-5-2-4-17(12-19)16-33/h2-15,37H,1H3,(H,34,38)(H,35,39)(H,40,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of SHP2 (unknown origin) using p-nitrophenyl phosphate substrate by microplate spectrophotometry				J Med Chem 57: 6594-609 (2014) Article DOI: 10.1021/jm5006176 BindingDB Entry DOI: 10.7270/Q24X59FM
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50054259 (CHEMBL3319378 | US9522881, 11a-23 L97L03) Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccccc2-c2ccc(CO)o2)c1 Show InChI InChI=1S/C29H22IN3O7/c1-33-22-13-23(35)20(29(38)39)12-19(22)25(30)26(33)15-5-4-6-16(11-15)31-27(36)28(37)32-21-8-3-2-7-18(21)24-10-9-17(14-34)40-24/h2-13,34-35H,14H2,1H3,(H,31,36)(H,32,37)(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	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of SHP2 (unknown origin) using p-nitrophenyl phosphate substrate by microplate spectrophotometry				J Med Chem 57: 6594-609 (2014) Article DOI: 10.1021/jm5006176 BindingDB Entry DOI: 10.7270/Q24X59FM
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50054260 (CHEMBL3319379 | US9522881, 11a-24 L97L05 | US98445...) Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2cccc(c2)-c2ccco2)c1 Show InChI InChI=1S/C28H20IN3O6/c1-32-21-14-22(33)20(28(36)37)13-19(21)24(29)25(32)16-6-3-8-18(12-16)31-27(35)26(34)30-17-7-2-5-15(11-17)23-9-4-10-38-23/h2-14,33H,1H3,(H,30,34)(H,31,35)(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	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of SHP2 (unknown origin) using p-nitrophenyl phosphate substrate by microplate spectrophotometry				J Med Chem 57: 6594-609 (2014) Article DOI: 10.1021/jm5006176 BindingDB Entry DOI: 10.7270/Q24X59FM
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50479066 (CHEMBL454190) Show SMILES O=C(CC(=O)c1cccc(OCc2ccccc2)c1)C(=O)NC1CCN(CC1)C(=O)C(=O)CC(=O)c1cccc(OCc2ccccc2)c1 Show InChI InChI=1S/C39H36N2O8/c42-34(29-13-7-15-32(21-29)48-25-27-9-3-1-4-10-27)23-36(44)38(46)40-31-17-19-41(20-18-31)39(47)37(45)24-35(43)30-14-8-16-33(22-30)49-26-28-11-5-2-6-12-28/h1-16,21-22,31H,17-20,23-26H2,(H,40,46)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<400	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of wild-type HIV1 integrase strand transfer activity using [32P]-labeled linear oligonucleotide substrate by polyacrylamide gel electropho...				Bioorg Med Chem 16: 7777-87 (2008) Article DOI: 10.1016/j.bmc.2008.07.008 BindingDB Entry DOI: 10.7270/Q2M90CG4
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50479075 (CHEMBL492770) Show SMILES OC(=O)C(\O)=C\C(=O)c1cccc(OCc2ccccc2)c1 Show InChI InChI=1S/C17H14O5/c18-15(10-16(19)17(20)21)13-7-4-8-14(9-13)22-11-12-5-2-1-3-6-12/h1-10,19H,11H2,(H,20,21)/b16-10-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<400	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of wild-type HIV1 integrase strand transfer activity using [32P]-labeled linear oligonucleotide substrate by polyacrylamide gel electropho...				Bioorg Med Chem 16: 7777-87 (2008) Article DOI: 10.1016/j.bmc.2008.07.008 BindingDB Entry DOI: 10.7270/Q2M90CG4
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50479081 (CHEMBL467149) Show SMILES COc1ccc(cc1OCc1ccccc1)C(=O)\C=C(/O)C(O)=O Show InChI InChI=1S/C18H16O6/c1-23-16-8-7-13(14(19)10-15(20)18(21)22)9-17(16)24-11-12-5-3-2-4-6-12/h2-10,20H,11H2,1H3,(H,21,22)/b15-10-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<400	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of wild-type HIV1 integrase strand transfer activity using [32P]-labeled linear oligonucleotide substrate by polyacrylamide gel electropho...				Bioorg Med Chem 16: 7777-87 (2008) Article DOI: 10.1016/j.bmc.2008.07.008 BindingDB Entry DOI: 10.7270/Q2M90CG4
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50054261 (CHEMBL3319380 | US9522881, 11a-25 L97L06 | US98445...) Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2cccc(c2)-c2ccc(cc2)C#N)c1 Show InChI InChI=1S/C31H21IN4O5/c1-36-25-15-26(37)24(31(40)41)14-23(25)27(32)28(36)20-5-3-7-22(13-20)35-30(39)29(38)34-21-6-2-4-19(12-21)18-10-8-17(16-33)9-11-18/h2-15,37H,1H3,(H,34,38)(H,35,39)(H,40,41)	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	420	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of SHP2 (unknown origin) using p-nitrophenyl phosphate substrate by microplate spectrophotometry				J Med Chem 57: 6594-609 (2014) Article DOI: 10.1021/jm5006176 BindingDB Entry DOI: 10.7270/Q24X59FM
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50485907 (CHEMBL2180599) Show SMILES Oc1c(nc(Br)c2cccnc12)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C16H11BrFN3O2/c17-15-11-2-1-7-19-12(11)14(22)13(21-15)16(23)20-8-9-3-5-10(18)6-4-9/h1-7,22H,8H2,(H,20,23)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity using [32P]-labeled linear oligonucleotide substrate				J Med Chem 55: 9492-509 (2012) Article DOI: 10.1021/jm300667v BindingDB Entry DOI: 10.7270/Q2KS6VF8
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50479058 (CHEMBL467380) Show SMILES COC(=O)C(\O)=C\C(=O)c1cccc(Cc2ccccc2F)c1 Show InChI InChI=1S/C18H15FO4/c1-23-18(22)17(21)11-16(20)14-7-4-5-12(10-14)9-13-6-2-3-8-15(13)19/h2-8,10-11,21H,9H2,1H3/b17-11-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of wild-type HIV1 integrase strand transfer activity using [32P]-labeled linear oligonucleotide substrate by polyacrylamide gel electropho...				Bioorg Med Chem 16: 7777-87 (2008) Article DOI: 10.1016/j.bmc.2008.07.008 BindingDB Entry DOI: 10.7270/Q2M90CG4
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50054406 (CHEMBL3319357 | US9522881, 11a-2 (L97N08) | US9844...) Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(cc2)-c2ccccc2)c1 Show InChI InChI=1S/C30H22IN3O5/c1-34-24-16-25(35)23(30(38)39)15-22(24)26(31)27(34)19-8-5-9-21(14-19)33-29(37)28(36)32-20-12-10-18(11-13-20)17-6-3-2-4-7-17/h2-16,35H,1H3,(H,32,36)(H,33,37)(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	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of SHP2 (unknown origin) using p-nitrophenyl phosphate substrate by microplate spectrophotometry				J Med Chem 57: 6594-609 (2014) Article DOI: 10.1021/jm5006176 BindingDB Entry DOI: 10.7270/Q24X59FM
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50054262 (CHEMBL3319381 | US9522881, 11a-26 L97L02 | US98445...) Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2cccc(c2)-c2ccsc2)c1 Show InChI InChI=1S/C28H20IN3O5S/c1-32-22-13-23(33)21(28(36)37)12-20(22)24(29)25(32)16-5-3-7-19(11-16)31-27(35)26(34)30-18-6-2-4-15(10-18)17-8-9-38-14-17/h2-14,33H,1H3,(H,30,34)(H,31,35)(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	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of SHP2 (unknown origin) using p-nitrophenyl phosphate substrate by microplate spectrophotometry				J Med Chem 57: 6594-609 (2014) Article DOI: 10.1021/jm5006176 BindingDB Entry DOI: 10.7270/Q24X59FM
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50054405 (CHEMBL3319358 | US9522881, 11a-3 (L97M50) | US9844...) Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(OCc3ccccc3)c(Cl)c2)c1 Show InChI InChI=1S/C31H23ClIN3O6/c1-36-24-15-25(37)22(31(40)41)14-21(24)27(33)28(36)18-8-5-9-19(12-18)34-29(38)30(39)35-20-10-11-26(23(32)13-20)42-16-17-6-3-2-4-7-17/h2-15,37H,16H2,1H3,(H,34,38)(H,35,39)(H,40,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of SHP2 (unknown origin) using p-nitrophenyl phosphate substrate by microplate spectrophotometry				J Med Chem 57: 6594-609 (2014) Article DOI: 10.1021/jm5006176 BindingDB Entry DOI: 10.7270/Q24X59FM
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50485913 (CHEMBL2180586) Show SMILES CS(=O)(=O)NCCCCCCN(c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12)S(C)(=O)=O Show InChI InChI=1S/C24H30FN5O6S2/c1-37(33,34)28-14-5-3-4-6-15-30(38(2,35)36)23-19-8-7-13-26-20(19)22(31)21(29-23)24(32)27-16-17-9-11-18(25)12-10-17/h7-13,28,31H,3-6,14-16H2,1-2H3,(H,27,32)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity using [32P]-labeled linear oligonucleotide substrate				J Med Chem 55: 9492-509 (2012) Article DOI: 10.1021/jm300667v BindingDB Entry DOI: 10.7270/Q2KS6VF8
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50485917 (CHEMBL2180585) Show SMILES CS(=O)(=O)NCCCN(c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12)S(C)(=O)=O Show InChI InChI=1S/C21H24FN5O6S2/c1-34(30,31)25-11-4-12-27(35(2,32)33)20-16-5-3-10-23-17(16)19(28)18(26-20)21(29)24-13-14-6-8-15(22)9-7-14/h3,5-10,25,28H,4,11-13H2,1-2H3,(H,24,29)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity using [32P]-labeled linear oligonucleotide substrate				J Med Chem 55: 9492-509 (2012) Article DOI: 10.1021/jm300667v BindingDB Entry DOI: 10.7270/Q2KS6VF8
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50054404 (CHEMBL3319359 | US9522881, 11a-4 (L97M61) | US9844...) Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2nc3ccc(Br)cc3s2)c1 Show InChI InChI=1S/C25H16BrIN4O5S/c1-31-17-10-18(32)15(24(35)36)9-14(17)20(27)21(31)11-3-2-4-13(7-11)28-22(33)23(34)30-25-29-16-6-5-12(26)8-19(16)37-25/h2-10,32H,1H3,(H,28,33)(H,35,36)(H,29,30,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of SHP2 (unknown origin) using p-nitrophenyl phosphate substrate by microplate spectrophotometry				J Med Chem 57: 6594-609 (2014) Article DOI: 10.1021/jm5006176 BindingDB Entry DOI: 10.7270/Q24X59FM
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50054403 (CHEMBL3319360 | US9522881, 11a-5 (L97M48) | US9844...) Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2cccc(c2)-c2ccccc2)c1 Show InChI InChI=1S/C30H22IN3O5/c1-34-24-16-25(35)23(30(38)39)15-22(24)26(31)27(34)19-10-6-12-21(14-19)33-29(37)28(36)32-20-11-5-9-18(13-20)17-7-3-2-4-8-17/h2-16,35H,1H3,(H,32,36)(H,33,37)(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	Article PubMed	n/a	n/a	770	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of SHP2 (unknown origin) using p-nitrophenyl phosphate substrate by microplate spectrophotometry				J Med Chem 57: 6594-609 (2014) Article DOI: 10.1021/jm5006176 BindingDB Entry DOI: 10.7270/Q24X59FM
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50054402 (CHEMBL3319361 | US9522881, 11a-6 (L97M52) | US9844...) Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2cccc(OCc3ccccc3)c2)c1 Show InChI InChI=1S/C31H24IN3O6/c1-35-25-16-26(36)24(31(39)40)15-23(25)27(32)28(35)19-9-5-10-20(13-19)33-29(37)30(38)34-21-11-6-12-22(14-21)41-17-18-7-3-2-4-8-18/h2-16,36H,17H2,1H3,(H,33,37)(H,34,38)(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	Article PubMed	n/a	n/a	860	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of SHP2 (unknown origin) using p-nitrophenyl phosphate substrate by microplate spectrophotometry				J Med Chem 57: 6594-609 (2014) Article DOI: 10.1021/jm5006176 BindingDB Entry DOI: 10.7270/Q24X59FM
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50485911 (CHEMBL2180588) Show SMILES Oc1c(nc(NCCc2c[nH]c3ccccc23)c2cccnc12)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C26H22FN5O2/c27-18-9-7-16(8-10-18)14-31-26(34)23-24(33)22-20(5-3-12-28-22)25(32-23)29-13-11-17-15-30-21-6-2-1-4-19(17)21/h1-10,12,15,30,33H,11,13-14H2,(H,29,32)(H,31,34)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity using [32P]-labeled linear oligonucleotide substrate				J Med Chem 55: 9492-509 (2012) Article DOI: 10.1021/jm300667v BindingDB Entry DOI: 10.7270/Q2KS6VF8
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 7 (Homo sapiens (Human))	BDBM50054344 (CHEMBL3319356 | US9522881, 11a-1 L97M74 | US984453...) Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(cc2)-c2ccsc2)c1 Show InChI InChI=1S/C28H20IN3O5S/c1-32-22-13-23(33)21(28(36)37)12-20(22)24(29)25(32)16-3-2-4-19(11-16)31-27(35)26(34)30-18-7-5-15(6-8-18)17-9-10-38-14-17/h2-14,33H,1H3,(H,30,34)(H,31,35)(H,36,37)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of HePTP (unknown origin)				J Med Chem 57: 6594-609 (2014) Article DOI: 10.1021/jm5006176 BindingDB Entry DOI: 10.7270/Q24X59FM
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22 (Homo sapiens (Human))	BDBM50054344 (CHEMBL3319356 | US9522881, 11a-1 L97M74 | US984453...) Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(cc2)-c2ccsc2)c1 Show InChI InChI=1S/C28H20IN3O5S/c1-32-22-13-23(33)21(28(36)37)12-20(22)24(29)25(32)16-3-2-4-19(11-16)31-27(35)26(34)30-18-7-5-15(6-8-18)17-9-10-38-14-17/h2-14,33H,1H3,(H,30,34)(H,31,35)(H,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of LYP (unknown origin)				J Med Chem 57: 6594-609 (2014) Article DOI: 10.1021/jm5006176 BindingDB Entry DOI: 10.7270/Q24X59FM
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50054401 (CHEMBL3319362 | US9522881, 11a-7 (L97M93) | US9844...) Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)N2CCc3cc(Br)ccc23)c1 Show InChI InChI=1S/C26H19BrIN3O5/c1-30-20-12-21(32)18(26(35)36)11-17(20)22(28)23(30)14-3-2-4-16(10-14)29-24(33)25(34)31-8-7-13-9-15(27)5-6-19(13)31/h2-6,9-12,32H,7-8H2,1H3,(H,29,33)(H,35,36)	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	1.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of SHP2 (unknown origin) using p-nitrophenyl phosphate substrate by microplate spectrophotometry				J Med Chem 57: 6594-609 (2014) Article DOI: 10.1021/jm5006176 BindingDB Entry DOI: 10.7270/Q24X59FM
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 3 (Homo sapiens (Human))	BDBM50054344 (CHEMBL3319356 | US9522881, 11a-1 L97M74 | US984453...) Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(cc2)-c2ccsc2)c1 Show InChI InChI=1S/C28H20IN3O5S/c1-32-22-13-23(33)21(28(36)37)12-20(22)24(29)25(32)16-3-2-4-19(11-16)31-27(35)26(34)30-18-7-5-15(6-8-18)17-9-10-38-14-17/h2-14,33H,1H3,(H,30,34)(H,31,35)(H,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of PTPH1 (unknown origin)				J Med Chem 57: 6594-609 (2014) Article DOI: 10.1021/jm5006176 BindingDB Entry DOI: 10.7270/Q24X59FM
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50054400 (CHEMBL3319363 | US9522881, 11a-8 (L97M24) | US9844...) Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(I)cc2)c1 Show InChI InChI=1S/C24H17I2N3O5/c1-29-18-11-19(30)17(24(33)34)10-16(18)20(26)21(29)12-3-2-4-15(9-12)28-23(32)22(31)27-14-7-5-13(25)6-8-14/h2-11,30H,1H3,(H,27,31)(H,28,32)(H,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of SHP2 (unknown origin) using p-nitrophenyl phosphate substrate by microplate spectrophotometry				J Med Chem 57: 6594-609 (2014) Article DOI: 10.1021/jm5006176 BindingDB Entry DOI: 10.7270/Q24X59FM
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50054399 (CHEMBL3319364 | US9522881, 11a-9 (L97M77)) Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)c1 Show InChI InChI=1S/C31H22IN5O5/c1-37-24-15-25(38)20(31(41)42)14-19(24)26(32)27(37)16-7-6-8-17(13-16)33-29(39)30(40)36-21-10-3-2-9-18(21)28-34-22-11-4-5-12-23(22)35-28/h2-15,38H,1H3,(H,33,39)(H,34,35)(H,36,40)(H,41,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of SHP2 (unknown origin) using p-nitrophenyl phosphate substrate by microplate spectrophotometry				J Med Chem 57: 6594-609 (2014) Article DOI: 10.1021/jm5006176 BindingDB Entry DOI: 10.7270/Q24X59FM
					More data for this Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein (Mycobacterium tuberculosis)	BDBM50341986 (6-hydroxy-3-(1-(2-(4-morpholinophenylamino)-2-oxoe...) Show SMILES OC(=O)c1cc2c(-c3cn(CC(=O)Nc4ccc(cc4)N4CCOCC4)nn3)c(oc2cc1O)-c1ccccc1 Show InChI InChI=1S/C29H25N5O6/c35-24-15-25-22(14-21(24)29(37)38)27(28(40-25)18-4-2-1-3-5-18)23-16-34(32-31-23)17-26(36)30-19-6-8-20(9-7-19)33-10-12-39-13-11-33/h1-9,14-16,35H,10-13,17H2,(H,30,36)(H,37,38)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis PTPB				Bioorg Med Chem 20: 1940-6 (2012) Article DOI: 10.1016/j.bmc.2011.11.004 BindingDB Entry DOI: 10.7270/Q23J3DZQ
					More data for this Ligand-Target Pair
RNA polymerase II subunit A C-terminal domain phosphatase SSU72 (Homo sapiens (Human))	BDBM50054344 (CHEMBL3319356 | US9522881, 11a-1 L97M74 | US984453...) Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(cc2)-c2ccsc2)c1 Show InChI InChI=1S/C28H20IN3O5S/c1-32-22-13-23(33)21(28(36)37)12-20(22)24(29)25(32)16-3-2-4-19(11-16)31-27(35)26(34)30-18-7-5-15(6-8-18)17-9-10-38-14-17/h2-14,33H,1H3,(H,30,34)(H,31,35)(H,36,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of Ssu72 (unknown origin)				J Med Chem 57: 6594-609 (2014) Article DOI: 10.1021/jm5006176 BindingDB Entry DOI: 10.7270/Q24X59FM
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50054350 (CHEMBL3319365 | US9522881, 11a-10 (L97N15) | US984...) Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2nc3ccccc3s2)c1 Show InChI InChI=1S/C25H17IN4O5S/c1-30-17-11-18(31)15(24(34)35)10-14(17)20(26)21(30)12-5-4-6-13(9-12)27-22(32)23(33)29-25-28-16-7-2-3-8-19(16)36-25/h2-11,31H,1H3,(H,27,32)(H,34,35)(H,28,29,33)	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	1.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of SHP2 (unknown origin) using p-nitrophenyl phosphate substrate by microplate spectrophotometry				J Med Chem 57: 6594-609 (2014) Article DOI: 10.1021/jm5006176 BindingDB Entry DOI: 10.7270/Q24X59FM
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50112358 (CHEMBL3609374) Show SMILES OS(=O)(=O)C(C(=O)Nc1ccc(NC(=O)C(=O)Nc2ccc(cc2)-c2ccccc2)cc1)c1ccccc1 Show InChI InChI=1S/C28H23N3O6S/c32-26(25(38(35,36)37)21-9-5-2-6-10-21)29-23-15-17-24(18-16-23)31-28(34)27(33)30-22-13-11-20(12-14-22)19-7-3-1-4-8-19/h1-18,25H,(H,29,32)(H,30,33)(H,31,34)(H,35,36,37)	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	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of phosphatase activity of SHP2 (unknown origin) using pNPP as a substrate after 10 mins by spectrophotometer analysis				ACS Med Chem Lett 6: 782-6 (2015) Article DOI: 10.1021/acsmedchemlett.5b00118 BindingDB Entry DOI: 10.7270/Q2251M0S
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 6 (Homo sapiens (Human))	BDBM50054344 (CHEMBL3319356 | US9522881, 11a-1 L97M74 | US984453...) Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(cc2)-c2ccsc2)c1 Show InChI InChI=1S/C28H20IN3O5S/c1-32-22-13-23(33)21(28(36)37)12-20(22)24(29)25(32)16-3-2-4-19(11-16)31-27(35)26(34)30-18-7-5-15(6-8-18)17-9-10-38-14-17/h2-14,33H,1H3,(H,30,34)(H,31,35)(H,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.44E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of SHP1 (unknown origin)				J Med Chem 57: 6594-609 (2014) Article DOI: 10.1021/jm5006176 BindingDB Entry DOI: 10.7270/Q24X59FM
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50054349 (CHEMBL3319366 | US9522881, 11a-11 (L97M21) | US984...) Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2cccc(Cl)c2)c1 Show InChI InChI=1S/C24H17ClIN3O5/c1-29-18-11-19(30)17(24(33)34)10-16(18)20(26)21(29)12-4-2-6-14(8-12)27-22(31)23(32)28-15-7-3-5-13(25)9-15/h2-11,30H,1H3,(H,27,31)(H,28,32)(H,33,34)	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	1.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of SHP2 (unknown origin) using p-nitrophenyl phosphate substrate by microplate spectrophotometry				J Med Chem 57: 6594-609 (2014) Article DOI: 10.1021/jm5006176 BindingDB Entry DOI: 10.7270/Q24X59FM
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50054348 (CHEMBL3319367 | US9522881, 11a-12 (L97M63) | US984...) Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(cc2)-n2ccnc2)c1 Show InChI InChI=1S/C27H20IN5O5/c1-32-21-13-22(34)20(27(37)38)12-19(21)23(28)24(32)15-3-2-4-17(11-15)31-26(36)25(35)30-16-5-7-18(8-6-16)33-10-9-29-14-33/h2-14,34H,1H3,(H,30,35)(H,31,36)(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	Article PubMed	n/a	n/a	1.49E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of SHP2 (unknown origin) using p-nitrophenyl phosphate substrate by microplate spectrophotometry				J Med Chem 57: 6594-609 (2014) Article DOI: 10.1021/jm5006176 BindingDB Entry DOI: 10.7270/Q24X59FM
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50112356 (CHEMBL3609373) Show SMILES OS(=O)(=O)C(C(=O)Nc1ccc(NC(=O)C(=O)Nc2ccc(I)cc2)cc1)c1ccccc1 Show InChI InChI=1S/C22H18IN3O6S/c23-15-6-8-16(9-7-15)25-21(28)22(29)26-18-12-10-17(11-13-18)24-20(27)19(33(30,31)32)14-4-2-1-3-5-14/h1-13,19H,(H,24,27)(H,25,28)(H,26,29)(H,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of phosphatase activity of SHP2 (unknown origin) using pNPP as a substrate after 10 mins by spectrophotometer analysis				ACS Med Chem Lett 6: 782-6 (2015) Article DOI: 10.1021/acsmedchemlett.5b00118 BindingDB Entry DOI: 10.7270/Q2251M0S
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50054347 (CHEMBL3319368 | US9522881, 11a-13 (L97M30) | US984...) Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)c1 Show InChI InChI=1S/C25H16ClF3IN3O5/c1-33-18-10-19(34)15(24(37)38)9-14(18)20(30)21(33)11-3-2-4-12(7-11)31-22(35)23(36)32-13-5-6-17(26)16(8-13)25(27,28)29/h2-10,34H,1H3,(H,31,35)(H,32,36)(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	Article PubMed	n/a	n/a	1.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of SHP2 (unknown origin) using p-nitrophenyl phosphate substrate by microplate spectrophotometry				J Med Chem 57: 6594-609 (2014) Article DOI: 10.1021/jm5006176 BindingDB Entry DOI: 10.7270/Q24X59FM
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50054346 (CHEMBL3319369 | US9522881, 11a-14 (L97M73) | US984...) Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2nnc(s2)-c2ccccc2)c1 Show InChI InChI=1S/C26H18IN5O5S/c1-32-18-12-19(33)17(25(36)37)11-16(18)20(27)21(32)14-8-5-9-15(10-14)28-22(34)23(35)29-26-31-30-24(38-26)13-6-3-2-4-7-13/h2-12,33H,1H3,(H,28,34)(H,36,37)(H,29,31,35)	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	1.79E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of SHP2 (unknown origin) using p-nitrophenyl phosphate substrate by microplate spectrophotometry				J Med Chem 57: 6594-609 (2014) Article DOI: 10.1021/jm5006176 BindingDB Entry DOI: 10.7270/Q24X59FM
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50479065 (CHEMBL443890) Show SMILES O=C(CC(=O)c1cccc(OCc2ccccc2)c1)C(=O)N1CCN(CC1)C(=O)C(=O)CC(=O)c1cccc(OCc2ccccc2)c1 Show InChI InChI=1S/C38H34N2O8/c41-33(29-13-7-15-31(21-29)47-25-27-9-3-1-4-10-27)23-35(43)37(45)39-17-19-40(20-18-39)38(46)36(44)24-34(42)30-14-8-16-32(22-30)48-26-28-11-5-2-6-12-28/h1-16,21-22H,17-20,23-26H2	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of wild-type HIV1 integrase strand transfer activity using [32P]-labeled linear oligonucleotide substrate by polyacrylamide gel electropho...				Bioorg Med Chem 16: 7777-87 (2008) Article DOI: 10.1016/j.bmc.2008.07.008 BindingDB Entry DOI: 10.7270/Q2M90CG4
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50054345 (CHEMBL3319370 | US9522881, 11a-15 (L97N95) | US984...) Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(F)cc2)c1 Show InChI InChI=1S/C24H17FIN3O5/c1-29-18-11-19(30)17(24(33)34)10-16(18)20(26)21(29)12-3-2-4-15(9-12)28-23(32)22(31)27-14-7-5-13(25)6-8-14/h2-11,30H,1H3,(H,27,31)(H,28,32)(H,33,34)	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	1.84E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of SHP2 (unknown origin) using p-nitrophenyl phosphate substrate by microplate spectrophotometry				J Med Chem 57: 6594-609 (2014) Article DOI: 10.1021/jm5006176 BindingDB Entry DOI: 10.7270/Q24X59FM
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50054344 (CHEMBL3319356 | US9522881, 11a-1 L97M74 | US984453...) Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(cc2)-c2ccsc2)c1 Show InChI InChI=1S/C28H20IN3O5S/c1-32-22-13-23(33)21(28(36)37)12-20(22)24(29)25(32)16-3-2-4-19(11-16)31-27(35)26(34)30-18-7-5-15(6-8-18)17-9-10-38-14-17/h2-14,33H,1H3,(H,30,34)(H,31,35)(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	Article PubMed	n/a	n/a	2.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin)				J Med Chem 57: 6594-609 (2014) Article DOI: 10.1021/jm5006176 BindingDB Entry DOI: 10.7270/Q24X59FM
					More data for this Ligand-Target Pair

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