Compile Data Set for Download or QSAR

Found 11 hits with Last Name = 'ha' and Initial = 'tkq'   

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
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM5025 (Oseltamivir | US10919856, POSITIVE CONTROL | ethyl...) Show SMILES [H][C@@]1(OC(CC)CC)C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)OCC |r,c:8| Show InChI InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Selectivity against alphaV-beta3 integrin				J Nat Prod 80: 2818-2824 (2017) Article DOI: 10.1021/acs.jnatprod.7b00677 BindingDB Entry DOI: 10.7270/Q2571FJH
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50148911 ((3beta)-3-hydroxyurs-12-en-28-oic acid | 3beta-hyd...) Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9| Show InChI InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Bioactive Natural Material Bank, Research Institute of Pharmaceutical Sciences, College of Pharmacy, Seoul National University, Seoul 08826, Republic of Korea. Curated by ChEMBL					Assay Description Inhibition of recombinant human PTP1B using pNPP as substrate after 30 mins				Bioorg Med Chem Lett 27: 5076-5081 (2017) Article DOI: 10.1016/j.bmcl.2017.09.031 BindingDB Entry DOI: 10.7270/Q2C24ZXX
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50262424 (CHEMBL4105170) Show SMILES CC(C)[C@@H]1CC\C(COC(C)=O)=C\CCC(=C)[C@@H](O)[C@@H]1O |r,t:11| Show InChI InChI=1S/C17H28O4/c1-11(2)15-9-8-14(10-21-13(4)18)7-5-6-12(3)16(19)17(15)20/h7,11,15-17,19-20H,3,5-6,8-10H2,1-2,4H3/b14-7-/t15-,16+,17+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Bioactive Natural Material Bank, Research Institute of Pharmaceutical Sciences, College of Pharmacy, Seoul National University, Seoul 08826, Republic of Korea. Curated by ChEMBL					Assay Description Inhibition of recombinant human PTP1B using pNPP as substrate after 30 mins				Bioorg Med Chem Lett 27: 5076-5081 (2017) Article DOI: 10.1016/j.bmcl.2017.09.031 BindingDB Entry DOI: 10.7270/Q2C24ZXX
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50262425 (CHEMBL4104518) Show SMILES [H][C@@]12CC(=O)[C@@](C)(C[C@@H]1O)C2(C)C |r,TLB:4:3:10:8.7,THB:9:8:10:3.2| Show InChI InChI=1S/C10H16O2/c1-9(2)6-4-8(12)10(9,3)5-7(6)11/h6-7,11H,4-5H2,1-3H3/t6-,7+,10-/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	n/a	n/a	1.76E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Bioactive Natural Material Bank, Research Institute of Pharmaceutical Sciences, College of Pharmacy, Seoul National University, Seoul 08826, Republic of Korea. Curated by ChEMBL					Assay Description Inhibition of recombinant human PTP1B using pNPP as substrate after 30 mins				Bioorg Med Chem Lett 27: 5076-5081 (2017) Article DOI: 10.1016/j.bmcl.2017.09.031 BindingDB Entry DOI: 10.7270/Q2C24ZXX
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50262426 (CHEMBL4067572) Show SMILES [H][C@]12C(=CC[C@]1(C)[C@@H](O)C[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](OC(=O)CCCCCCCCCCCCCCC)C(C)(C)[C@]3([H])CC[C@@]12C)C(C)=C |r,c:2| Show InChI InChI=1S/C46H78O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-40(48)49-39-28-30-43(6)36(42(39,4)5)27-31-45(8)37(43)25-24-35-41-34(33(2)3)26-29-44(41,7)38(47)32-46(35,45)9/h26,35-39,41,47H,2,10-25,27-32H2,1,3-9H3/t35-,36+,37-,38+,39+,41-,43+,44-,45-,46-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Bioactive Natural Material Bank, Research Institute of Pharmaceutical Sciences, College of Pharmacy, Seoul National University, Seoul 08826, Republic of Korea. Curated by ChEMBL					Assay Description Inhibition of recombinant human PTP1B using pNPP as substrate after 30 mins				Bioorg Med Chem Lett 27: 5076-5081 (2017) Article DOI: 10.1016/j.bmcl.2017.09.031 BindingDB Entry DOI: 10.7270/Q2C24ZXX
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50278271 ((2S)-2''-Hydroxydemethoxymatteucinol | CHEBI:67371...) Show SMILES Cc1c(O)c(C)c2O[C@@H](CC(=O)c2c1O)c1ccccc1O |r| Show InChI InChI=1S/C17H16O5/c1-8-15(20)9(2)17-14(16(8)21)12(19)7-13(22-17)10-5-3-4-6-11(10)18/h3-6,13,18,20-21H,7H2,1-2H3/t13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.39E+4	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of neuraminidase activity in Influenza A virus (A/PR/8/34 (H1N1)) infected in MDCK cells using 4-MU-NANA as substrate pretreated for 30 mi...				J Nat Prod 80: 2818-2824 (2017) Article DOI: 10.1021/acs.jnatprod.7b00677 BindingDB Entry DOI: 10.7270/Q2571FJH
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50278268 (CHEMBL4168939) Show SMILES COc1cc(O)cc(c1)[C@@H]1CC(=O)c2c(O)c(C)c(O)c(C)c2O1 |r| Show InChI InChI=1S/C18H18O6/c1-8-16(21)9(2)18-15(17(8)22)13(20)7-14(24-18)10-4-11(19)6-12(5-10)23-3/h4-6,14,19,21-22H,7H2,1-3H3/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.44E+4	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of neuraminidase activity in Influenza A virus (A/PR/8/34 (H1N1)) infected in MDCK cells using 4-MU-NANA as substrate pretreated for 30 mi...				J Nat Prod 80: 2818-2824 (2017) Article DOI: 10.1021/acs.jnatprod.7b00677 BindingDB Entry DOI: 10.7270/Q2571FJH
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50278270 (CHEMBL4161011) Show SMILES COc1ccc(O)c(c1)[C@@H]1CC(=O)c2c(O)c(C)c(O)c(C)c2O1 |r| Show InChI InChI=1S/C18H18O6/c1-8-16(21)9(2)18-15(17(8)22)13(20)7-14(24-18)11-6-10(23-3)4-5-12(11)19/h4-6,14,19,21-22H,7H2,1-3H3/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.45E+4	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of neuraminidase activity in Influenza A virus (A/PR/8/34 (H1N1)) infected in MDCK cells using 4-MU-NANA as substrate pretreated for 30 mi...				J Nat Prod 80: 2818-2824 (2017) Article DOI: 10.1021/acs.jnatprod.7b00677 BindingDB Entry DOI: 10.7270/Q2571FJH
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50278272 (CHEMBL4164421) Show SMILES COc1ccc(cc1)[C@@H]1CC(=O)c2c(O)c(C)c(O)c(C)c2O1 |r| Show InChI InChI=1S/C18H18O5/c1-9-16(20)10(2)18-15(17(9)21)13(19)8-14(23-18)11-4-6-12(22-3)7-5-11/h4-7,14,20-21H,8H2,1-3H3/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.52E+4	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of neuraminidase activity in Influenza A virus (A/PR/8/34 (H1N1)) infected in MDCK cells using 4-MU-NANA as substrate pretreated for 30 mi...				J Nat Prod 80: 2818-2824 (2017) Article DOI: 10.1021/acs.jnatprod.7b00677 BindingDB Entry DOI: 10.7270/Q2571FJH
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50262423 (CHEMBL4087311) Show SMILES [H][C@]12CC(C)(C)C(O1)=CC(=O)[C@@](C)(O)C2 |r,wU:11.12,1.0,t:8,(53.59,-27.29,;55.1,-27.6,;56.19,-28.69,;57.73,-28.68,;59.06,-29.45,;57.73,-30.22,;58.83,-27.6,;56.58,-27.19,;58.83,-26.05,;57.73,-24.97,;58.32,-23.54,;56.19,-24.97,;56.19,-23.43,;54.86,-24.2,;55.1,-26.05,)| Show InChI InChI=1S/C11H16O3/c1-10(2)5-7-6-11(3,13)8(12)4-9(10)14-7/h4,7,13H,5-6H2,1-3H3/t7-,11+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Bioactive Natural Material Bank, Research Institute of Pharmaceutical Sciences, College of Pharmacy, Seoul National University, Seoul 08826, Republic of Korea. Curated by ChEMBL					Assay Description Inhibition of recombinant human PTP1B using pNPP as substrate after 30 mins				Bioorg Med Chem Lett 27: 5076-5081 (2017) Article DOI: 10.1016/j.bmcl.2017.09.031 BindingDB Entry DOI: 10.7270/Q2C24ZXX
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50278269 (6,8-Dimethylpinocembrin | CHEBI:70664 | Demethoxym...) Show SMILES Cc1c(O)c(C)c2O[C@@H](CC(=O)c2c1O)c1ccccc1 Show InChI InChI=1S/C17H16O4/c1-9-15(19)10(2)17-14(16(9)20)12(18)8-13(21-17)11-6-4-3-5-7-11/h3-7,13,19-20H,8H2,1-2H3/t13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibitory activity against alphaV-beta3 integrin				J Nat Prod 80: 2818-2824 (2017) Article DOI: 10.1021/acs.jnatprod.7b00677 BindingDB Entry DOI: 10.7270/Q2571FJH
					More data for this Ligand-Target Pair