Compile Data Set for Download or QSAR

Found 324 hits with Last Name = 'kwon' and Initial = 'hj'   

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
Sialidase A (Streptococcus pneumoniae)	BDBM50182491 (CHEBI:69015 | Malabaricone C) Show SMILES Oc1ccc(CCCCCCCCC(=O)c2c(O)cccc2O)cc1O Show InChI InChI=1S/C21H26O5/c22-16-13-12-15(14-20(16)26)8-5-3-1-2-4-6-9-17(23)21-18(24)10-7-11-19(21)25/h7,10-14,22,24-26H,1-6,8-9H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Competitive inhibition of Streptococcus pneumoniae sialidase NanA using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid as substrate after 60 mi...				Bioorg Med Chem Lett 27: 3060-3064 (2017) Article DOI: 10.1016/j.bmcl.2017.05.055 BindingDB Entry DOI: 10.7270/Q2G73H5Z
					More data for this Ligand-Target Pair
Sialidase A (Streptococcus pneumoniae)	BDBM50182486 (MALABARICONE B) Show SMILES Oc1ccc(CCCCCCCCC(=O)c2c(O)cccc2O)cc1 Show InChI InChI=1S/C21H26O4/c22-17-14-12-16(13-15-17)8-5-3-1-2-4-6-9-18(23)21-19(24)10-7-11-20(21)25/h7,10-15,22,24-25H,1-6,8-9H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Competitive inhibition of Streptococcus pneumoniae sialidase NanA using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid as substrate after 60 mi...				Bioorg Med Chem Lett 27: 3060-3064 (2017) Article DOI: 10.1016/j.bmcl.2017.05.055 BindingDB Entry DOI: 10.7270/Q2G73H5Z
					More data for this Ligand-Target Pair
Sialidase A (Streptococcus pneumoniae)	BDBM50303147 ((-)-licarin B | CHEMBL578403) Show SMILES COc1cc(\C=C\C)cc2[C@H](C)[C@H](Oc12)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C20H20O4/c1-4-5-13-8-15-12(2)19(24-20(15)18(9-13)21-3)14-6-7-16-17(10-14)23-11-22-16/h4-10,12,19H,11H2,1-3H3/b5-4+/t12-,19-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Noncompetitive inhibition of Streptococcus pneumoniae sialidase NanA using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid as substrate after 60...				Bioorg Med Chem Lett 27: 3060-3064 (2017) Article DOI: 10.1016/j.bmcl.2017.05.055 BindingDB Entry DOI: 10.7270/Q2G73H5Z
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50259983 (CHEMBL508791 | US10106521, Compound Dieckol | diec...) Show SMILES Oc1cc(O)cc(Oc2c(O)cc(O)c3Oc4cc(Oc5c(O)cc(Oc6c(O)cc(O)c7Oc8cc(O)cc(O)c8Oc67)cc5O)cc(O)c4Oc23)c1 Show InChI InChI=1S/C36H22O18/c37-12-1-13(38)3-15(2-12)49-31-22(44)10-25(47)34-35(31)54-30-21(43)8-17(9-27(30)52-34)48-28-19(41)6-16(7-20(28)42)50-32-23(45)11-24(46)33-36(32)53-29-18(40)4-14(39)5-26(29)51-33/h1-11,37-47H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Competitive inhibition of C-terminal His6-tagged recombinant SARS coronavirus 3C-like protease trans-cleavage activity expressed in Escherichia coli ...				Bioorg Med Chem 21: 3730-7 (2013) Article DOI: 10.1016/j.bmc.2013.04.026 BindingDB Entry DOI: 10.7270/Q24J0J2W
					More data for this Ligand-Target Pair
Sialidase A (Streptococcus pneumoniae)	BDBM50242962 (CHEMBL4079519) Show SMILES COc1cc(ccc1O)[C@@H](O)[C@@H](C)Oc1c(OC)cc(\C=C\CO)cc1OC |r| Show InChI InChI=1S/C21H26O7/c1-13(20(24)15-7-8-16(23)17(12-15)25-2)28-21-18(26-3)10-14(6-5-9-22)11-19(21)27-4/h5-8,10-13,20,22-24H,9H2,1-4H3/b6-5+/t13-,20+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Noncompetitive inhibition of Streptococcus pneumoniae sialidase NanA using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid as substrate after 60...				Bioorg Med Chem Lett 27: 3060-3064 (2017) Article DOI: 10.1016/j.bmcl.2017.05.055 BindingDB Entry DOI: 10.7270/Q2G73H5Z
					More data for this Ligand-Target Pair
Aminopeptidase N (Homo sapiens (Human))	BDBM50157325 (CHEMBL182879 | N-Hydroxy-2-(naphthalen-2-ylsulfany...) Show SMILES ONC(=O)CSc1ccc2ccccc2c1 Show InChI InChI=1S/C12H11NO2S/c14-12(13-15)8-16-11-6-5-9-3-1-2-4-10(9)7-11/h1-7,15H,8H2,(H,13,14)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sejong University Curated by ChEMBL					Assay Description Binding affinity towards aminopeptidase N				Bioorg Med Chem Lett 15: 181-3 (2004) Article DOI: 10.1016/j.bmcl.2004.10.010 BindingDB Entry DOI: 10.7270/Q2BG2PRF
					More data for this Ligand-Target Pair
Sialidase A (Streptococcus pneumoniae)	BDBM50242963 (CHEBI:86562 | Methoxyeugenol) Show SMILES COc1cc(CC=C)cc(OC)c1O Show InChI InChI=1S/C11H14O3/c1-4-5-8-6-9(13-2)11(12)10(7-8)14-3/h4,6-7,12H,1,5H2,2-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Noncompetitive inhibition of Streptococcus pneumoniae sialidase NanA using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid as substrate after 60...				Bioorg Med Chem Lett 27: 3060-3064 (2017) Article DOI: 10.1016/j.bmcl.2017.05.055 BindingDB Entry DOI: 10.7270/Q2G73H5Z
					More data for this Ligand-Target Pair
Sialidase A (Streptococcus pneumoniae)	BDBM50242964 (CHEMBL4072450) Show SMILES COc1c(O)cc(CC=C)cc1O Show InChI InChI=1S/C10H12O3/c1-3-4-7-5-8(11)10(13-2)9(12)6-7/h3,5-6,11-12H,1,4H2,2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Noncompetitive inhibition of Streptococcus pneumoniae sialidase NanA using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid as substrate after 60...				Bioorg Med Chem Lett 27: 3060-3064 (2017) Article DOI: 10.1016/j.bmcl.2017.05.055 BindingDB Entry DOI: 10.7270/Q2G73H5Z
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50259982 (CHEMBL471187 | US10106521, Compound Eckol | eckol) Show SMILES Oc1cc(O)cc(Oc2c(O)cc(O)c3Oc4cc(O)cc(O)c4Oc23)c1 Show InChI InChI=1S/C18H12O9/c19-7-1-8(20)3-10(2-7)25-16-12(23)6-13(24)17-18(16)27-15-11(22)4-9(21)5-14(15)26-17/h1-6,19-24H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	8.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Competitive inhibition of C-terminal His6-tagged recombinant SARS coronavirus 3C-like protease trans-cleavage activity expressed in Escherichia coli ...				Bioorg Med Chem 21: 3730-7 (2013) Article DOI: 10.1016/j.bmc.2013.04.026 BindingDB Entry DOI: 10.7270/Q24J0J2W
					More data for this Ligand-Target Pair
Replicase polyprotein 1a (Human SARS coronavirus (SARS-CoV))	BDBM53072 ((5Z)-3-allyl-5-(3-ethyl-1,3-benzothiazol-2-ylidene...) Show SMILES CCN1\C(Sc2ccccc12)=C1\SC(=S)N(CC=C)C1=O Show InChI InChI=1S/C15H14N2OS3/c1-3-9-17-13(18)12(21-15(17)19)14-16(4-2)10-7-5-6-8-11(10)20-14/h3,5-8H,1,4,9H2,2H3/b14-12-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Time dependent inhibition of SARS-CoV PLpro expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate at 3 to 100 uM up to ...				Bioorg Med Chem 20: 5928-35 (2012) Article DOI: 10.1016/j.bmc.2012.07.038 BindingDB Entry DOI: 10.7270/Q2QF8TZ4
					More data for this Ligand-Target Pair
Sialidase A (Streptococcus pneumoniae)	BDBM50303149 ((-)-licarin A | CHEMBL463526 | Licarin A) Show SMILES COc1cc(\C=C\C)cc2[C@H](C)[C@H](Oc12)c1ccc(O)c(OC)c1 |r| Show InChI InChI=1S/C20H22O4/c1-5-6-13-9-15-12(2)19(24-20(15)18(10-13)23-4)14-7-8-16(21)17(11-14)22-3/h5-12,19,21H,1-4H3/b6-5+/t12-,19-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	9.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Noncompetitive inhibition of Streptococcus pneumoniae sialidase NanA using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid as substrate after 60...				Bioorg Med Chem Lett 27: 3060-3064 (2017) Article DOI: 10.1016/j.bmcl.2017.05.055 BindingDB Entry DOI: 10.7270/Q2G73H5Z
					More data for this Ligand-Target Pair
Replicase polyprotein 1a (Human SARS coronavirus (SARS-CoV))	BDBM50391431 (CHEMBL2146517 | acs.jmedchem.1c00409_ST.502) Show SMILES COC(=O)[C@@]1(C)CCCc2c1ccc1-c3occ(C)c3C(=O)C(=O)c21 |r| Show InChI InChI=1S/C20H18O5/c1-10-9-25-18-12-6-7-13-11(15(12)17(22)16(21)14(10)18)5-4-8-20(13,2)19(23)24-3/h6-7,9H,4-5,8H2,1-3H3/t20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	9.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Time dependent inhibition of SARS-CoV PLpro expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate at 3 to 100 uM up to ...				Bioorg Med Chem 20: 5928-35 (2012) Article DOI: 10.1016/j.bmc.2012.07.038 BindingDB Entry DOI: 10.7270/Q2QF8TZ4
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50276756 (4,9-bis(3,5-dihydroxyphenoxy)benzofuro[3,2-a]diben...) Show SMILES Oc1cc(O)cc(Oc2c(O)cc(O)c3Oc4c(Oc23)c(O)cc2oc3c(Oc5cc(O)cc(O)c5)c(O)cc(O)c3c42)c1 Show InChI InChI=1S/C30H18O14/c31-10-1-11(32)4-14(3-10)40-24-17(36)7-16(35)22-23-21(42-28(22)24)9-20(39)25-29(23)43-27-19(38)8-18(37)26(30(27)44-25)41-15-5-12(33)2-13(34)6-15/h1-9,31-39H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.06E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Competitive inhibition of C-terminal His6-tagged recombinant SARS coronavirus 3C-like protease trans-cleavage activity expressed in Escherichia coli ...				Bioorg Med Chem 21: 3730-7 (2013) Article DOI: 10.1016/j.bmc.2013.04.026 BindingDB Entry DOI: 10.7270/Q24J0J2W
					More data for this Ligand-Target Pair
Replicase polyprotein 1a (Human SARS coronavirus (SARS-CoV))	BDBM83922 (1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]be...) Show SMILES Cc1coc-2c1C(=O)C(=O)c1c3CCCC(C)(C)c3ccc-21 Show InChI InChI=1S/C19H18O3/c1-10-9-22-18-12-6-7-13-11(5-4-8-19(13,2)3)15(12)17(21)16(20)14(10)18/h6-7,9H,4-5,8H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	1.12E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Time dependent inhibition of SARS-CoV PLpro expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate at 3 to 100 uM up to ...				Bioorg Med Chem 20: 5928-35 (2012) Article DOI: 10.1016/j.bmc.2012.07.038 BindingDB Entry DOI: 10.7270/Q2QF8TZ4
					More data for this Ligand-Target Pair
Replicase polyprotein 1a (Human SARS coronavirus (SARS-CoV))	BDBM50423877 (DIHYDROTANSHINONE | Dihydrotanshinone I | acs.jmed...) Show SMILES C[C@H]1COC2=C1C(=O)C(=O)c1c2ccc2c(C)cccc12 |r,c:4| Show InChI InChI=1S/C18H14O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)16(19)14-10(2)8-21-18(13)14/h3-7,10H,8H2,1-2H3/t10-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	1.12E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Time dependent inhibition of SARS-CoV PLpro expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate at 3 to 100 uM up to ...				Bioorg Med Chem 20: 5928-35 (2012) Article DOI: 10.1016/j.bmc.2012.07.038 BindingDB Entry DOI: 10.7270/Q2QF8TZ4
					More data for this Ligand-Target Pair
Replicase polyprotein 1a (Human SARS coronavirus (SARS-CoV))	BDBM51317 (1,6-dimethylnaphtho[1,2-g][1]benzofuran-10,11-dion...) Show SMILES Cc1coc-2c1C(=O)C(=O)c1c-2ccc2c(C)cccc12 Show InChI InChI=1S/C18H12O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)16(19)14-10(2)8-21-18(13)14/h3-8H,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.37E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Time dependent inhibition of SARS-CoV PLpro expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate at 3 to 100 uM up to ...				Bioorg Med Chem 20: 5928-35 (2012) Article DOI: 10.1016/j.bmc.2012.07.038 BindingDB Entry DOI: 10.7270/Q2QF8TZ4
					More data for this Ligand-Target Pair
Sialidase A (Streptococcus pneumoniae)	BDBM50242967 (CHEMBL4085435) Show SMILES COc1cc(ccc1O)[C@@H](O)[C@H](C)Oc1c(OC)cc(CC=C)cc1OC |r| Show InChI InChI=1S/C21H26O6/c1-6-7-14-10-18(25-4)21(19(11-14)26-5)27-13(2)20(23)15-8-9-16(22)17(12-15)24-3/h6,8-13,20,22-23H,1,7H2,2-5H3/t13-,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.51E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Noncompetitive inhibition of Streptococcus pneumoniae sialidase NanA using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid as substrate after 60...				Bioorg Med Chem Lett 27: 3060-3064 (2017) Article DOI: 10.1016/j.bmcl.2017.05.055 BindingDB Entry DOI: 10.7270/Q2G73H5Z
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50276826 ((1-(3',5'-dihydroxyphenoxy)-7-(2'',4'',6-trihydro-...) Show SMILES Oc1cc(O)c(Oc2cc(O)c3Oc4c(Oc5cc(O)cc(O)c5)c(O)cc(O)c4Oc3c2)c(O)c1 Show InChI InChI=1S/C24H16O12/c25-9-1-10(26)3-12(2-9)34-22-17(31)8-18(32)23-24(22)36-21-16(30)6-13(7-19(21)35-23)33-20-14(28)4-11(27)5-15(20)29/h1-8,25-32H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.93E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Competitive inhibition of C-terminal His6-tagged recombinant SARS coronavirus 3C-like protease trans-cleavage activity expressed in Escherichia coli ...				Bioorg Med Chem 21: 3730-7 (2013) Article DOI: 10.1016/j.bmc.2013.04.026 BindingDB Entry DOI: 10.7270/Q24J0J2W
					More data for this Ligand-Target Pair
Replicase polyprotein 1a (Human SARS coronavirus (SARS-CoV))	BDBM50009219 (2-isopropyl-8,8-dimethyl-5,6,7,8-tetrahydrophenant...) Show SMILES CC(C)C1=Cc2ccc3c(CCCC3(C)C)c2C(=O)C1=O |t:3| Show InChI InChI=1S/C19H22O2/c1-11(2)14-10-12-7-8-15-13(6-5-9-19(15,3)4)16(12)18(21)17(14)20/h7-8,10-11H,5-6,9H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	2.15E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Time dependent inhibition of SARS-CoV PLpro expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate at 3 to 100 uM up to ...				Bioorg Med Chem 20: 5928-35 (2012) Article DOI: 10.1016/j.bmc.2012.07.038 BindingDB Entry DOI: 10.7270/Q2QF8TZ4
					More data for this Ligand-Target Pair
Replicase polyprotein 1a (Human SARS coronavirus (SARS-CoV))	BDBM50391429 (CHEMBL215254 | acs.jmedchem.1c00409_ST.620) Show SMILES Cc1coc-2c1C(=O)C(=O)c1c3CCCC(C)(CO)c3ccc-21 Show InChI InChI=1S/C19H18O4/c1-10-8-23-18-12-5-6-13-11(4-3-7-19(13,2)9-20)15(12)17(22)16(21)14(10)18/h5-6,8,20H,3-4,7,9H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.16E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Time dependent inhibition of SARS-CoV PLpro expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate at 3 to 100 uM up to ...				Bioorg Med Chem 20: 5928-35 (2012) Article DOI: 10.1016/j.bmc.2012.07.038 BindingDB Entry DOI: 10.7270/Q2QF8TZ4
					More data for this Ligand-Target Pair
Sialidase A (Streptococcus pneumoniae)	BDBM50242959 (CHEMBL3601519) Show SMILES COc1cc(ccc1O)[C@H]1O[C@H]([C@@H](C)[C@@H]1C)c1ccc(O)c(OC)c1 |r| Show InChI InChI=1S/C20H24O5/c1-11-12(2)20(14-6-8-16(22)18(10-14)24-4)25-19(11)13-5-7-15(21)17(9-13)23-3/h5-12,19-22H,1-4H3/t11-,12-,19-,20+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	2.19E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Noncompetitive inhibition of Streptococcus pneumoniae sialidase NanA using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid as substrate after 60...				Bioorg Med Chem Lett 27: 3060-3064 (2017) Article DOI: 10.1016/j.bmcl.2017.05.055 BindingDB Entry DOI: 10.7270/Q2G73H5Z
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50491981 (2-PHLOROECKOL) Show SMILES Oc1cc(O)c(Oc2cc(O)c3Oc4cc(O)cc(O)c4Oc3c2Oc2cc(O)cc(O)c2)c(O)c1 Show InChI InChI=1S/C24H16O12/c25-9-1-10(26)3-13(2-9)33-23-19(34-20-14(29)4-11(27)5-15(20)30)8-17(32)22-24(23)36-21-16(31)6-12(28)7-18(21)35-22/h1-8,25-32H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Competitive inhibition of C-terminal His6-tagged recombinant SARS coronavirus 3C-like protease trans-cleavage activity expressed in Escherichia coli ...				Bioorg Med Chem 21: 3730-7 (2013) Article DOI: 10.1016/j.bmc.2013.04.026 BindingDB Entry DOI: 10.7270/Q24J0J2W
					More data for this Ligand-Target Pair
Sialidase A (Streptococcus pneumoniae)	BDBM50242961 (CHEMBL4091275) Show SMILES COc1cc(cc2OCOc12)[C@H]1Oc2c(cc(\C=C\C)cc2OC)[C@@H]1C |r| Show InChI InChI=1S/C21H22O5/c1-5-6-13-7-15-12(2)19(26-20(15)16(8-13)22-3)14-9-17(23-4)21-18(10-14)24-11-25-21/h5-10,12,19H,11H2,1-4H3/b6-5+/t12-,19-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.75E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Noncompetitive inhibition of Streptococcus pneumoniae sialidase NanA using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid as substrate after 60...				Bioorg Med Chem Lett 27: 3060-3064 (2017) Article DOI: 10.1016/j.bmcl.2017.05.055 BindingDB Entry DOI: 10.7270/Q2G73H5Z
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50491983 (CHEBI:65918 | Fucodiphloroethol G) Show SMILES Oc1cc(O)c(Oc2cc(O)cc(O)c2Oc2cc(O)cc(O)c2-c2c(O)cc(O)cc2O)c(O)c1 |(18.25,-3.55,;19.59,-2.79,;20.91,-3.56,;22.25,-2.8,;23.58,-3.59,;22.27,-1.25,;23.6,-.49,;23.61,1.05,;22.28,1.82,;22.29,3.35,;20.95,4.13,;23.63,4.13,;24.96,3.35,;26.3,4.11,;24.95,1.81,;26.28,1.03,;27.62,1.79,;27.61,3.33,;28.94,4.11,;28.93,5.65,;30.28,3.36,;30.3,1.82,;31.64,1.07,;28.96,1.03,;28.98,-.51,;27.65,-1.29,;26.31,-.53,;27.66,-2.83,;29,-3.59,;29.02,-5.13,;30.33,-2.8,;30.32,-1.26,;31.64,-.48,;20.93,-.48,;20.93,1.06,;19.59,-1.24,)| Show InChI InChI=1S/C24H18O12/c25-9-1-13(29)21(14(30)2-9)22-15(31)3-11(27)7-19(22)35-24-18(34)6-12(28)8-20(24)36-23-16(32)4-10(26)5-17(23)33/h1-8,25-34H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.35E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Competitive inhibition of C-terminal His6-tagged recombinant SARS coronavirus 3C-like protease trans-cleavage activity expressed in Escherichia coli ...				Bioorg Med Chem 21: 3730-7 (2013) Article DOI: 10.1016/j.bmc.2013.04.026 BindingDB Entry DOI: 10.7270/Q24J0J2W
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489360 (Example 10-15 | US10961242, Compound 75) Show SMILES OC(=O)c1nn(CC(=O)N2CCc3[nH]nnc3C2)cc1-c1cnc(NC2Cc3ccccc3C2)nc1 Show InChI InChI=1S/C24H23N9O3/c34-21(32-6-5-19-20(12-32)29-31-28-19)13-33-11-18(22(30-33)23(35)36)16-9-25-24(26-10-16)27-17-7-14-3-1-2-4-15(14)8-17/h1-4,9-11,17H,5-8,12-13H2,(H,35,36)(H,25,26,27)(H,28,29,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
LegoChem Biosciences, Inc. US Patent					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				US Patent US10961242 (2021) BindingDB Entry DOI: 10.7270/Q27084JN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489343 (Example 10-1 | US10961242, Compound 61 | US1154888...) Show SMILES CCOc1nn(CC(=O)N2CCc3[nH]nnc3C2)cc1-c1cnc(NC2Cc3ccccc3C2)nc1 Show InChI InChI=1S/C25H27N9O2/c1-2-36-24-20(13-34(31-24)15-23(35)33-8-7-21-22(14-33)30-32-29-21)18-11-26-25(27-12-18)28-19-9-16-5-3-4-6-17(16)10-19/h3-6,11-13,19H,2,7-10,14-15H2,1H3,(H,26,27,28)(H,29,30,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
LegoChem Biosciences, Inc. US Patent					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				US Patent US10961242 (2021) BindingDB Entry DOI: 10.7270/Q27084JN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM582922 (Acid | US11548883, Compound 75) Show SMILES OC(=O)c1nn(CC(=O)C2CCc3[nH]nnc3C2)cc1-c1cnc(NC2Cc3ccccc3C2)nc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489343 (Example 10-1 | US10961242, Compound 61 | US1154888...) Show SMILES CCOc1nn(CC(=O)N2CCc3[nH]nnc3C2)cc1-c1cnc(NC2Cc3ccccc3C2)nc1 Show InChI InChI=1S/C25H27N9O2/c1-2-36-24-20(13-34(31-24)15-23(35)33-8-7-21-22(14-33)30-32-29-21)18-11-26-25(27-12-18)28-19-9-16-5-3-4-6-17(16)10-19/h3-6,11-13,19H,2,7-10,14-15H2,1H3,(H,26,27,28)(H,29,30,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489367 (Example 12-1 | US10961242, Compound 80 | US1154888...) Show SMILES O=C(Cn1cc(c(CN2CCOCC2)n1)-c1cnc(NC2Cc3ccccc3C2)nc1)N1CCc2[nH]nnc2C1 Show InChI InChI=1S/C28H32N10O2/c39-27(37-6-5-24-26(17-37)33-35-32-24)18-38-15-23(25(34-38)16-36-7-9-40-10-8-36)21-13-29-28(30-14-21)31-22-11-19-3-1-2-4-20(19)12-22/h1-4,13-15,22H,5-12,16-18H2,(H,29,30,31)(H,32,33,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.56	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489368 (Example 12-2 | US10961242, Compound 81 | US1154888...) Show SMILES O=C(Cn1cc(c(CN2CCCCC2)n1)-c1cnc(NC2Cc3ccccc3C2)nc1)N1CCc2[nH]nnc2C1 Show InChI InChI=1S/C29H34N10O/c40-28(38-11-8-25-27(18-38)34-36-33-25)19-39-16-24(26(35-39)17-37-9-4-1-5-10-37)22-14-30-29(31-15-22)32-23-12-20-6-2-3-7-21(20)13-23/h2-3,6-7,14-16,23H,1,4-5,8-13,17-19H2,(H,30,31,32)(H,33,34,36)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.56	n/a	n/a	n/a	n/a	n/a	n/a
LegoChem Biosciences, Inc. US Patent					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				US Patent US10961242 (2021) BindingDB Entry DOI: 10.7270/Q27084JN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489367 (Example 12-1 | US10961242, Compound 80 | US1154888...) Show SMILES O=C(Cn1cc(c(CN2CCOCC2)n1)-c1cnc(NC2Cc3ccccc3C2)nc1)N1CCc2[nH]nnc2C1 Show InChI InChI=1S/C28H32N10O2/c39-27(37-6-5-24-26(17-37)33-35-32-24)18-38-15-23(25(34-38)16-36-7-9-40-10-8-36)21-13-29-28(30-14-21)31-22-11-19-3-1-2-4-20(19)12-22/h1-4,13-15,22H,5-12,16-18H2,(H,29,30,31)(H,32,33,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.56	n/a	n/a	n/a	n/a	n/a	n/a
LegoChem Biosciences, Inc. US Patent					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				US Patent US10961242 (2021) BindingDB Entry DOI: 10.7270/Q27084JN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489347 (Example 10-5 | US10961242, Compound 65 | US1154888...) Show SMILES Oc1nn(CC(=O)N2CCc3[nH]nnc3C2)cc1-c1cnc(NC2Cc3ccccc3C2)nc1 Show InChI InChI=1S/C23H23N9O2/c33-21(31-6-5-19-20(12-31)28-30-27-19)13-32-11-18(22(34)29-32)16-9-24-23(25-10-16)26-17-7-14-3-1-2-4-15(14)8-17/h1-4,9-11,17H,5-8,12-13H2,(H,29,34)(H,24,25,26)(H,27,28,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.56	n/a	n/a	n/a	n/a	n/a	n/a
LegoChem Biosciences, Inc. US Patent					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				US Patent US10961242 (2021) BindingDB Entry DOI: 10.7270/Q27084JN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489369 (Example 12-3 | US10961242, Compound 82 | US1154888...) Show SMILES O=C(Cn1cc(c(CN2CCNC(=O)C2)n1)-c1cnc(NC2Cc3ccccc3C2)nc1)N1CCc2[nH]nnc2C1 Show InChI InChI=1S/C28H31N11O2/c40-26-16-37(8-6-29-26)14-24-22(13-39(35-24)17-27(41)38-7-5-23-25(15-38)34-36-33-23)20-11-30-28(31-12-20)32-21-9-18-3-1-2-4-19(18)10-21/h1-4,11-13,21H,5-10,14-17H2,(H,29,40)(H,30,31,32)(H,33,34,36)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.56	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489368 (Example 12-2 | US10961242, Compound 81 | US1154888...) Show SMILES O=C(Cn1cc(c(CN2CCCCC2)n1)-c1cnc(NC2Cc3ccccc3C2)nc1)N1CCc2[nH]nnc2C1 Show InChI InChI=1S/C29H34N10O/c40-28(38-11-8-25-27(18-38)34-36-33-25)19-39-16-24(26(35-39)17-37-9-4-1-5-10-37)22-14-30-29(31-15-22)32-23-12-20-6-2-3-7-21(20)13-23/h2-3,6-7,14-16,23H,1,4-5,8-13,17-19H2,(H,30,31,32)(H,33,34,36)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.56	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489369 (Example 12-3 | US10961242, Compound 82 | US1154888...) Show SMILES O=C(Cn1cc(c(CN2CCNC(=O)C2)n1)-c1cnc(NC2Cc3ccccc3C2)nc1)N1CCc2[nH]nnc2C1 Show InChI InChI=1S/C28H31N11O2/c40-26-16-37(8-6-29-26)14-24-22(13-39(35-24)17-27(41)38-7-5-23-25(15-38)34-36-33-23)20-11-30-28(31-12-20)32-21-9-18-3-1-2-4-19(18)10-21/h1-4,11-13,21H,5-10,14-17H2,(H,29,40)(H,30,31,32)(H,33,34,36)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.56	n/a	n/a	n/a	n/a	n/a	n/a
LegoChem Biosciences, Inc. US Patent					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				US Patent US10961242 (2021) BindingDB Entry DOI: 10.7270/Q27084JN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489347 (Example 10-5 | US10961242, Compound 65 | US1154888...) Show SMILES Oc1nn(CC(=O)N2CCc3[nH]nnc3C2)cc1-c1cnc(NC2Cc3ccccc3C2)nc1 Show InChI InChI=1S/C23H23N9O2/c33-21(31-6-5-19-20(12-31)28-30-27-19)13-32-11-18(22(34)29-32)16-9-24-23(25-10-16)26-17-7-14-3-1-2-4-15(14)8-17/h1-4,9-11,17H,5-8,12-13H2,(H,29,34)(H,24,25,26)(H,27,28,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.56	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489366 (Example 11-2 | US10961242, Compound 79 | US1154888...) Show SMILES CCc1nn(CC(=O)N2CCc3[nH]nnc3C2)cc1-c1cnc(NC2Cc3ccccc3C2)nc1 Show InChI InChI=1S/C25H27N9O/c1-2-21-20(13-34(31-21)15-24(35)33-8-7-22-23(14-33)30-32-29-22)18-11-26-25(27-12-18)28-19-9-16-5-3-4-6-17(16)10-19/h3-6,11-13,19H,2,7-10,14-15H2,1H3,(H,26,27,28)(H,29,30,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
LegoChem Biosciences, Inc. US Patent					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				US Patent US10961242 (2021) BindingDB Entry DOI: 10.7270/Q27084JN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489366 (Example 11-2 | US10961242, Compound 79 | US1154888...) Show SMILES CCc1nn(CC(=O)N2CCc3[nH]nnc3C2)cc1-c1cnc(NC2Cc3ccccc3C2)nc1 Show InChI InChI=1S/C25H27N9O/c1-2-21-20(13-34(31-21)15-24(35)33-8-7-22-23(14-33)30-32-29-22)18-11-26-25(27-12-18)28-19-9-16-5-3-4-6-17(16)10-19/h3-6,11-13,19H,2,7-10,14-15H2,1H3,(H,26,27,28)(H,29,30,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489357 (Example 10-14 | US10961242, Compound 74 | US115488...) Show SMILES CN(C)c1nn(CC(=O)N2CCc3[nH]nnc3C2)cc1-c1cnc(NC2Cc3ccccc3C2)nc1 Show InChI InChI=1S/C25H28N10O/c1-33(2)24-20(13-35(31-24)15-23(36)34-8-7-21-22(14-34)30-32-29-21)18-11-26-25(27-12-18)28-19-9-16-5-3-4-6-17(16)10-19/h3-6,11-13,19H,7-10,14-15H2,1-2H3,(H,26,27,28)(H,29,30,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489357 (Example 10-14 | US10961242, Compound 74 | US115488...) Show SMILES CN(C)c1nn(CC(=O)N2CCc3[nH]nnc3C2)cc1-c1cnc(NC2Cc3ccccc3C2)nc1 Show InChI InChI=1S/C25H28N10O/c1-33(2)24-20(13-35(31-24)15-23(36)34-8-7-21-22(14-34)30-32-29-21)18-11-26-25(27-12-18)28-19-9-16-5-3-4-6-17(16)10-19/h3-6,11-13,19H,7-10,14-15H2,1-2H3,(H,26,27,28)(H,29,30,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
LegoChem Biosciences, Inc. US Patent					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				US Patent US10961242 (2021) BindingDB Entry DOI: 10.7270/Q27084JN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM582907 (2-(4-{2-[(2,3-dihydro-1H-inden-2-yl)amino]pyrimidi...) Show SMILES C1C(Cc2ccccc12)Nc1ncc(cn1)-c1cn(cn1)C(c1ccccc1)(c1ccccc1)c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489342 (Example 9 | US10961242, Compound 60) Show SMILES O=C(Cn1cnc(c1)-c1cnc(NC2Cc3ccccc3C2)nc1)N1CCc2[nH]nnc2C1 Show InChI InChI=1S/C23H23N9O/c33-22(32-6-5-19-21(12-32)29-30-28-19)13-31-11-20(26-14-31)17-9-24-23(25-10-17)27-18-7-15-3-1-2-4-16(15)8-18/h1-4,9-11,14,18H,5-8,12-13H2,(H,24,25,27)(H,28,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
LegoChem Biosciences, Inc. US Patent					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				US Patent US10961242 (2021) BindingDB Entry DOI: 10.7270/Q27084JN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489351 (Example 10-8 | US10961242, Compound 68 | US1154888...) Show SMILES CCN1CC(C1)Oc1nn(CC(=O)N2CCc3[nH]nnc3C2)cc1-c1cnc(NC2Cc3ccccc3C2)nc1 Show InChI InChI=1S/C28H32N10O2/c1-2-36-13-22(14-36)40-27-23(15-38(34-27)17-26(39)37-8-7-24-25(16-37)33-35-32-24)20-11-29-28(30-12-20)31-21-9-18-5-3-4-6-19(18)10-21/h3-6,11-12,15,21-22H,2,7-10,13-14,16-17H2,1H3,(H,29,30,31)(H,32,33,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489351 (Example 10-8 | US10961242, Compound 68 | US1154888...) Show SMILES CCN1CC(C1)Oc1nn(CC(=O)N2CCc3[nH]nnc3C2)cc1-c1cnc(NC2Cc3ccccc3C2)nc1 Show InChI InChI=1S/C28H32N10O2/c1-2-36-13-22(14-36)40-27-23(15-38(34-27)17-26(39)37-8-7-24-25(16-37)33-35-32-24)20-11-29-28(30-12-20)31-21-9-18-5-3-4-6-19(18)10-21/h3-6,11-12,15,21-22H,2,7-10,13-14,16-17H2,1H3,(H,29,30,31)(H,32,33,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
LegoChem Biosciences, Inc. US Patent					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				US Patent US10961242 (2021) BindingDB Entry DOI: 10.7270/Q27084JN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489348 (Example 10-6 | US10961242, Compound 66 | US1154888...) Show SMILES O=C(Cn1cc(c(OCCN2CCOCC2)n1)-c1cnc(NC2Cc3ccccc3C2)nc1)N1CCc2[nH]nnc2C1 Show InChI InChI=1S/C29H34N10O3/c40-27(38-6-5-25-26(18-38)34-36-33-25)19-39-17-24(28(35-39)42-12-9-37-7-10-41-11-8-37)22-15-30-29(31-16-22)32-23-13-20-3-1-2-4-21(20)14-23/h1-4,15-17,23H,5-14,18-19H2,(H,30,31,32)(H,33,34,36)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
LegoChem Biosciences, Inc. US Patent					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				US Patent US10961242 (2021) BindingDB Entry DOI: 10.7270/Q27084JN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489348 (Example 10-6 | US10961242, Compound 66 | US1154888...) Show SMILES O=C(Cn1cc(c(OCCN2CCOCC2)n1)-c1cnc(NC2Cc3ccccc3C2)nc1)N1CCc2[nH]nnc2C1 Show InChI InChI=1S/C29H34N10O3/c40-27(38-6-5-25-26(18-38)34-36-33-25)19-39-17-24(28(35-39)42-12-9-37-7-10-41-11-8-37)22-15-30-29(31-16-22)32-23-13-20-3-1-2-4-21(20)14-23/h1-4,15-17,23H,5-14,18-19H2,(H,30,31,32)(H,33,34,36)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489337 (Example 8-2 | US10961242, Compound 57 | US11548883...) Show SMILES O=C(Cn1cc(cn1)-c1cnc(NC2Cc3ccccc3C2)nc1)Nc1ccc2[nH]c(=O)oc2c1 Show InChI InChI=1S/C25H21N7O3/c33-23(29-19-5-6-21-22(9-19)35-25(34)31-21)14-32-13-18(12-28-32)17-10-26-24(27-11-17)30-20-7-15-3-1-2-4-16(15)8-20/h1-6,9-13,20H,7-8,14H2,(H,29,33)(H,31,34)(H,26,27,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
LegoChem Biosciences, Inc. US Patent					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				US Patent US10961242 (2021) BindingDB Entry DOI: 10.7270/Q27084JN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489337 (Example 8-2 | US10961242, Compound 57 | US11548883...) Show SMILES O=C(Cn1cc(cn1)-c1cnc(NC2Cc3ccccc3C2)nc1)Nc1ccc2[nH]c(=O)oc2c1 Show InChI InChI=1S/C25H21N7O3/c33-23(29-19-5-6-21-22(9-19)35-25(34)31-21)14-32-13-18(12-28-32)17-10-26-24(27-11-17)30-20-7-15-3-1-2-4-16(15)8-20/h1-6,9-13,20H,7-8,14H2,(H,29,33)(H,31,34)(H,26,27,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489315 (Example 6-1 | US10961242, Compound 33 | US11548883...) Show SMILES O=C(Cc1nnc(o1)-c1cnc(NC2Cc3ccccc3C2)nc1)N1CCc2[nH]nnc2C1 Show InChI InChI=1S/C22H21N9O2/c32-20(31-6-5-17-18(12-31)27-30-26-17)9-19-28-29-21(33-19)15-10-23-22(24-11-15)25-16-7-13-3-1-2-4-14(13)8-16/h1-4,10-11,16H,5-9,12H2,(H,23,24,25)(H,26,27,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489316 (Example 6-2 | US10961242, Compound 34 | US11548883...) Show SMILES FC(F)(F)Oc1cccc(CNc2ncc(cn2)-c2nnc(CC(=O)N3CCc4[nH]nnc4C3)o2)c1 Show InChI InChI=1S/C21H18F3N9O3/c22-21(23,24)36-14-3-1-2-12(6-14)8-25-20-26-9-13(10-27-20)19-31-30-17(35-19)7-18(34)33-5-4-15-16(11-33)29-32-28-15/h1-3,6,9-10H,4-5,7-8,11H2,(H,25,26,27)(H,28,29,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
LegoChem Biosciences, Inc. US Patent					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				US Patent US10961242 (2021) BindingDB Entry DOI: 10.7270/Q27084JN
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 324 total )  |  Next  |  Last  >>

Jump to: