Compile Data Set for Download or QSAR

Found 64 hits with Last Name = 'lee' and Initial = 'ck'   

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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50157911 (13a-hydroxy-10-(4-methoxyphenyl)-5,5,5a,7a,13b-pen...) Show SMILES COc1ccc(cc1)-c1cc2O[C@]3(C)CC[C@@]4(O)[C@](C)(CCC(=O)OC4(C)C)[C@]3(O)Cc2c(=O)o1 Show InChI InChI=1S/C27H32O8/c1-23(2)26(30)13-12-25(4)27(31,24(26,3)11-10-21(28)35-23)15-18-20(34-25)14-19(33-22(18)29)16-6-8-17(32-5)9-7-16/h6-9,14,30-31H,10-13,15H2,1-5H3/t24-,25+,26-,27+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30E+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 Binding affinity for Acetylcholinesterase				Bioorg Med Chem Lett 15: 353-6 (2004) Article DOI: 10.1016/j.bmcl.2004.10.067 BindingDB Entry DOI: 10.7270/Q2CN73CD
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50094903 (5-Cyano-pyridine-2-sulfonic acid {3-[1-(6-hydroxy-...) Show SMILES CCCC1(CCc2ccccc2)OC(=O)C(C(CC)c2cccc(NS(=O)(=O)c3ccc(cn3)C#N)c2)C(=O)O1 |(.36,-8.1,;.78,-6.63,;2.27,-6.24,;2.67,-4.74,;1.17,-4.35,;.08,-5.42,;-1.4,-5.02,;-2.49,-6.11,;-3.97,-5.72,;-4.36,-4.21,;-3.27,-3.13,;-1.79,-3.53,;4.01,-5.51,;5.35,-4.74,;6.68,-5.51,;5.35,-3.22,;6.68,-2.43,;6.67,-.89,;8,-.12,;8.01,-3.2,;8.03,-4.74,;9.36,-5.54,;10.69,-4.77,;10.72,-3.2,;12.05,-2.43,;13.38,-3.23,;12.61,-4.56,;14.73,-4,;14.15,-1.87,;13.38,-.54,;14.12,.81,;15.66,.81,;16.46,-.52,;15.71,-1.87,;16.43,2.15,;17.18,3.49,;9.36,-2.43,;4,-2.43,;4,-.89,;2.67,-3.2,)| Show InChI InChI=1S/C30H31N3O6S/c1-3-16-30(17-15-21-9-6-5-7-10-21)38-28(34)27(29(35)39-30)25(4-2)23-11-8-12-24(18-23)33-40(36,37)26-14-13-22(19-31)20-32-26/h5-14,18,20,25,27,33H,3-4,15-17H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science & Technology Curated by ChEMBL					Assay Description Compound was evaluated for the inhibitory activity towards HIV protease				Bioorg Med Chem Lett 10: 2625-7 (2000) BindingDB Entry DOI: 10.7270/Q20R9NPF
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50094906 (5-Trifluoromethyl-pyridine-2-sulfonic acid {3-[1-(...) Show SMILES CCCC1(CCc2ccccc2)OC(O)=C(C(CC)c2cccc(NS(=O)(=O)c3ccc(cn3)C(F)(F)F)c2)C(=O)O1 |t:15| Show InChI InChI=1S/C30H31F3N2O6S/c1-3-16-29(17-15-20-9-6-5-7-10-20)40-27(36)26(28(37)41-29)24(4-2)21-11-8-12-23(18-21)35-42(38,39)25-14-13-22(19-34-25)30(31,32)33/h5-14,18-19,24,26,35H,3-4,15-17H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science & Technology Curated by ChEMBL					Assay Description Compound was evaluated for the inhibitory activity towards HIV protease				Bioorg Med Chem Lett 10: 2625-7 (2000) BindingDB Entry DOI: 10.7270/Q20R9NPF
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB MMDB 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	PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Inhibitory concentration against Butyrylcholinesterase activity				Bioorg Med Chem Lett 15: 353-6 (2004) Article DOI: 10.1016/j.bmcl.2004.10.067 BindingDB Entry DOI: 10.7270/Q2CN73CD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50094901 (CHEMBL90449 | Pyridine-2-sulfonic acid {3-[1-(6-hy...) Show SMILES CCCC1(CCc2ccccc2)OC(=O)C(C(CC)c2cccc(NS(=O)(=O)c3ccccn3)c2)C(=O)O1 |(-.81,-7.29,;-.39,-5.81,;1.1,-5.42,;1.5,-3.93,;.01,-3.53,;-1.09,-4.6,;-2.57,-4.21,;-3.66,-5.3,;-5.13,-4.9,;-5.53,-3.39,;-4.43,-2.32,;-2.96,-2.71,;2.85,-4.7,;4.18,-3.93,;5.51,-4.7,;4.18,-2.4,;5.51,-1.62,;5.51,-.08,;6.84,.69,;6.84,-2.39,;6.87,-3.93,;8.2,-4.72,;9.53,-3.95,;9.55,-2.39,;10.88,-1.62,;12.21,-2.41,;11.44,-3.74,;13.56,-3.18,;12.98,-1.06,;12.21,.27,;12.96,1.63,;14.5,1.63,;15.29,.3,;14.54,-1.06,;8.2,-1.62,;2.83,-1.62,;2.83,-.08,;1.5,-2.39,)| Show InChI InChI=1S/C29H32N2O6S/c1-3-17-29(18-16-21-11-6-5-7-12-21)36-27(32)26(28(33)37-29)24(4-2)22-13-10-14-23(20-22)31-38(34,35)25-15-8-9-19-30-25/h5-15,19-20,24,26,31H,3-4,16-18H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science & Technology Curated by ChEMBL					Assay Description Compound was evaluated for the inhibitory activity towards HIV protease				Bioorg Med Chem Lett 10: 2625-7 (2000) BindingDB Entry DOI: 10.7270/Q20R9NPF
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50094902 (5-Amino-pyridine-2-sulfonic acid {3-[1-(6-hydroxy-...) Show SMILES CCCC1(CCc2ccccc2)OC(O)=C(C(CC)c2cccc(NS(=O)(=O)c3ccc(N)cn3)c2)C(=O)O1 |t:15| Show InChI InChI=1S/C29H33N3O6S/c1-3-16-29(17-15-20-9-6-5-7-10-20)37-27(33)26(28(34)38-29)24(4-2)21-11-8-12-23(18-21)32-39(35,36)25-14-13-22(30)19-31-25/h5-14,18-19,24,26,32H,3-4,15-17,30H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science & Technology Curated by ChEMBL					Assay Description Compound was evaluated for the inhibitory activity towards HIV protease				Bioorg Med Chem Lett 10: 2625-7 (2000) BindingDB Entry DOI: 10.7270/Q20R9NPF
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50094907 (4-Cyano-N-{3-[1-(6-hydroxy-4-oxo-2-phenethyl-2-pro...) Show SMILES CCCC1(CCc2ccccc2)OC(=O)C(C(CC)c2cccc(NS(=O)(=O)c3ccc(cc3)C#N)c2)C(=O)O1 |(-.81,-7.27,;-.39,-5.8,;1.1,-5.41,;1.5,-3.92,;.01,-3.52,;-1.09,-4.6,;-2.56,-4.2,;-3.65,-5.29,;-5.12,-4.89,;-5.52,-3.38,;-4.42,-2.31,;-2.95,-2.71,;2.84,-4.69,;4.18,-3.92,;5.5,-4.69,;4.18,-2.4,;5.5,-1.61,;5.5,-.08,;6.82,.69,;6.83,-2.38,;6.85,-3.92,;8.18,-4.71,;9.51,-3.94,;9.53,-2.38,;10.86,-1.61,;12.19,-2.41,;11.42,-3.73,;13.54,-3.18,;12.96,-1.06,;12.19,.27,;12.93,1.62,;14.47,1.62,;15.26,.29,;14.52,-1.06,;15.26,2.97,;16.01,4.32,;8.18,-1.61,;2.83,-1.61,;2.83,-.08,;1.5,-2.38,)| Show InChI InChI=1S/C31H32N2O6S/c1-3-18-31(19-17-22-9-6-5-7-10-22)38-29(34)28(30(35)39-31)27(4-2)24-11-8-12-25(20-24)33-40(36,37)26-15-13-23(21-32)14-16-26/h5-16,20,27-28,33H,3-4,17-19H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science & Technology Curated by ChEMBL					Assay Description Compound was evaluated for the inhibitory activity towards HIV protease				Bioorg Med Chem Lett 10: 2625-7 (2000) BindingDB Entry DOI: 10.7270/Q20R9NPF
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50094904 (5-Trifluoromethyl-pyridine-2-sulfonic acid {3-[(R)...) Show SMILES CCC[C@@]1(CCc2ccccc2)OC(=O)C([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(cn3)C(F)(F)F)c2)C(=O)O1 |wU:3.2,wD:16.19,3.3,(-.68,-8.28,;-.27,-6.8,;1.22,-6.42,;1.63,-4.93,;.14,-4.53,;-.96,-5.61,;-2.44,-5.2,;-3.52,-6.28,;-5.01,-5.89,;-5.41,-4.39,;-4.31,-3.31,;-2.82,-3.72,;1.63,-3.39,;2.96,-2.62,;2.96,-1.08,;4.3,-3.39,;5.63,-2.62,;5.63,-1.08,;6.96,-.31,;6.98,-3.39,;6.98,-4.93,;8.33,-5.72,;9.66,-4.95,;9.67,-3.39,;11.01,-2.62,;12.34,-3.41,;13.68,-4.18,;11.57,-4.74,;13.11,-2.06,;12.33,-.73,;13.09,.62,;14.63,.63,;15.42,-.71,;14.66,-2.05,;15.38,1.98,;16.06,3.2,;16.96,2.26,;14.79,3.48,;8.31,-2.62,;4.3,-4.93,;5.63,-5.7,;2.97,-5.7,)| Show InChI InChI=1S/C30H31F3N2O6S/c1-3-16-29(17-15-20-9-6-5-7-10-20)40-27(36)26(28(37)41-29)24(4-2)21-11-8-12-23(18-21)35-42(38,39)25-14-13-22(19-34-25)30(31,32)33/h5-14,18-19,24,26,35H,3-4,15-17H2,1-2H3/t24-,26?,29-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science & Technology Curated by ChEMBL					Assay Description Compound was evaluated for the inhibitory activity towards HIV protease				Bioorg Med Chem Lett 10: 2625-7 (2000) BindingDB Entry DOI: 10.7270/Q20R9NPF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50157914 (4a,12a-dihydroxy-9-(4-methoxyphenyl)-4,4,6a,12b-te...) Show SMILES COc1ccc(cc1)-c1cc2O[C@]3(C)CC[C@]4(O)C(C)(C)C(=O)CC[C@]4(C)[C@]3(O)Cc2c(=O)o1 Show InChI InChI=1S/C27H32O7/c1-23(2)21(28)10-11-24(3)26(23,30)13-12-25(4)27(24,31)15-18-20(34-25)14-19(33-22(18)29)16-6-8-17(32-5)9-7-16/h6-9,14,30-31H,10-13,15H2,1-5H3/t24-,25+,26-,27+/m0/s1	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	60	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Inhibitory concentration against Acetylcholinesterase activity				Bioorg Med Chem Lett 15: 353-6 (2004) Article DOI: 10.1016/j.bmcl.2004.10.067 BindingDB Entry DOI: 10.7270/Q2CN73CD
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50094905 (5-Nitro-pyridine-2-sulfonic acid {3-[1-(6-hydroxy-...) Show SMILES CCCC1(CCc2ccccc2)OC([O-])=C(C(CC)c2cccc(NS(=O)(=O)c3ccc(cn3)[N+]([O-])=O)c2)C(=[OH+])O1 |t:15| Show InChI InChI=1S/C29H31N3O8S/c1-3-16-29(17-15-20-9-6-5-7-10-20)39-27(33)26(28(34)40-29)24(4-2)21-11-8-12-22(18-21)31-41(37,38)25-14-13-23(19-30-25)32(35)36/h5-14,18-19,24,31,33H,3-4,15-17H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science & Technology Curated by ChEMBL					Assay Description Compound was evaluated for the inhibitory activity towards HIV protease				Bioorg Med Chem Lett 10: 2625-7 (2000) BindingDB Entry DOI: 10.7270/Q20R9NPF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	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	PDB Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Inhibitory concentration against Acetylcholinesterase activity				Bioorg Med Chem Lett 15: 353-6 (2004) Article DOI: 10.1016/j.bmcl.2004.10.067 BindingDB Entry DOI: 10.7270/Q2CN73CD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50157915 (4a,12a-dihydroxy-9-(4-methoxyphenyl)-4,4,6a,12b-te...) Show SMILES COc1ccc(cc1)-c1cc2O[C@]3(C)CC[C@]4(O)C(C)(C)C(=O)C=C[C@]4(C)[C@]3(O)Cc2c(=O)o1 |c:24| Show InChI InChI=1S/C27H30O7/c1-23(2)21(28)10-11-24(3)26(23,30)13-12-25(4)27(24,31)15-18-20(34-25)14-19(33-22(18)29)16-6-8-17(32-5)9-7-16/h6-11,14,30-31H,12-13,15H2,1-5H3/t24-,25+,26-,27+/m0/s1	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	90	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Inhibitory concentration against Acetylcholinesterase activity				Bioorg Med Chem Lett 15: 353-6 (2004) Article DOI: 10.1016/j.bmcl.2004.10.067 BindingDB Entry DOI: 10.7270/Q2CN73CD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50157912 (13-hydroxy-16-methoxy-8-(4-methoxyphenyl)-4,14,19,...) Show SMILES COc1ccc(cc1)-c1cc2O[C@]3(C)CC[C@]45OC(=O)[C@](OC)(C(=O)[C@]4(C)[C@]3(O)Cc2c(=O)o1)C5(C)C |THB:19:18:34:25.23| Show InChI InChI=1S/C28H30O9/c1-23(2)27-12-11-24(3)26(32,25(27,4)21(30)28(23,34-6)22(31)37-27)14-17-19(36-24)13-18(35-20(17)29)15-7-9-16(33-5)10-8-15/h7-10,13,32H,11-12,14H2,1-6H3/t24-,25-,26+,27-,28-/m1/s1	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	230	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Inhibitory concentration against Acetylcholinesterase activity				Bioorg Med Chem Lett 15: 353-6 (2004) Article DOI: 10.1016/j.bmcl.2004.10.067 BindingDB Entry DOI: 10.7270/Q2CN73CD
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50090474 (CHEMBL3581710) Show SMILES [H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)C[C@@H](O)[C@H](O)C(C)(C)[C@]3([H])CC[C@@]21C)[C@](C)(CCC(=O)C(C)=C)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C22H25NO6S/c1-13-10-16(23-21(25)22(26)27)11-14(2)20(13)30(28,29)17-8-9-19(24)18(12-17)15-6-4-3-5-7-15/h8-12,15,24H,3-7H2,1-2H3,(H,23,25)(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Chungbuk National University Curated by ChEMBL					Assay Description Inhibition of IL6-induced STAT3 activation in human Hep3B cells after 12 hrs by luciferase assay				J Nat Prod 78: 971-6 (2015) Article DOI: 10.1021/np500803e BindingDB Entry DOI: 10.7270/Q22B90SD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50157913 (4a,12a-dihydroxy-3-methoxy-4,4,6a,12b-tetramethyl-...) Show SMILES COC1=CC(=O)[C@@]2(C)[C@](O)(CC[C@@]3(C)Oc4cc(oc(=O)c4C[C@@]23O)-c2cc(OC)c(OC)c(OC)c2)C1(C)C |t:2| Show InChI InChI=1S/C30H36O10/c1-26(2)23(37-7)14-22(31)28(4)29(26,33)10-9-27(3)30(28,34)15-17-19(40-27)13-18(39-25(17)32)16-11-20(35-5)24(38-8)21(12-16)36-6/h11-14,33-34H,9-10,15H2,1-8H3/t27-,28+,29+,30+/m1/s1	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
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Inhibitory concentration against Acetylcholinesterase activity				Bioorg Med Chem Lett 15: 353-6 (2004) Article DOI: 10.1016/j.bmcl.2004.10.067 BindingDB Entry DOI: 10.7270/Q2CN73CD
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50090504 (CHEMBL3581714) Show SMILES [H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)C[C@@H](O)[C@H](O)C(C)(C)[C@]3([H])CC[C@@]21C)[C@](C)(C\C=C\C(C)C)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H29O9P.Na/c1-19(23,12-11-16-9-7-10-18(22)27-16)17(28-29(24,25)26)14-15(21)8-5-3-2-4-6-13-20;/h2-4,6-7,10-12,15-17,20-21,23H,5,8-9,13-14H2,1H3,(H2,24,25,26);/q;+1/p-1/b3-2-,6-4+,12-11+;/t15-,16+,17+,19+;/m0./s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Chungbuk National University Curated by ChEMBL					Assay Description Inhibition of IL6-induced STAT3 activation in human Hep3B cells after 12 hrs by luciferase assay				J Nat Prod 78: 971-6 (2015) Article DOI: 10.1021/np500803e BindingDB Entry DOI: 10.7270/Q22B90SD
					More data for this Ligand-Target Pair
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM50462020 (CHEMBL515513) Show SMILES ClC1=C(Nc2cccc(Cl)c2)C(=O)c2[nH]c(nc2C1=O)-c1ccncc1 |c:1| Show InChI InChI=1S/C18H10Cl2N4O2/c19-10-2-1-3-11(8-10)22-13-12(20)16(25)14-15(17(13)26)24-18(23-14)9-4-6-21-7-5-9/h1-8,22H,(H,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human coxsackievirus B3 protease 3C expressed in Escherichia coli (BL21) using fluorogenic-Dabcyl-KEALFQGPPQFE-Edans as substrate after...				Bioorg Med Chem Lett 28: 2533-2538 (2018) Article DOI: 10.1016/j.bmcl.2018.05.046 BindingDB Entry DOI: 10.7270/Q2HT2S0T
					More data for this Ligand-Target Pair
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM50462028 (CHEMBL4226173) Show SMILES Clc1ccc(SC2=C(Sc3ccc(Cl)cc3)C(=O)c3[nH]c(nc3C2=O)-c2ccncc2)cc1 |c:6| Show InChI InChI=1S/C24H13Cl2N3O2S2/c25-14-1-5-16(6-2-14)32-22-20(30)18-19(29-24(28-18)13-9-11-27-12-10-13)21(31)23(22)33-17-7-3-15(26)4-8-17/h1-12H,(H,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human coxsackievirus B3 protease 3C expressed in Escherichia coli (BL21) using fluorogenic-Dabcyl-KEALFQGPPQFE-Edans as substrate after...				Bioorg Med Chem Lett 28: 2533-2538 (2018) Article DOI: 10.1016/j.bmcl.2018.05.046 BindingDB Entry DOI: 10.7270/Q2HT2S0T
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50090483 (CHEMBL3581712) Show SMILES [H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)C[C@@H](O)[C@H](O)C(C)(C)[C@]3([H])CC[C@@]21C)[C@](C)(CCC(=O)C(C)=C)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C34H38Cl2N2O6S/c1-41-29-18-24(19-30(42-2)31(29)43-3)32(39)38-16-17-44-33(22-38,25-8-9-27(35)28(36)20-25)10-13-37-14-11-34(12-15-37)26-7-5-4-6-23(26)21-45(34)40/h4-9,18-20H,10-17,21-22H2,1-3H3/t33-,45?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
Chungbuk National University Curated by ChEMBL					Assay Description Inhibition of IL6-induced STAT3 activation in human Hep3B cells after 12 hrs by luciferase assay				J Nat Prod 78: 971-6 (2015) Article DOI: 10.1021/np500803e BindingDB Entry DOI: 10.7270/Q22B90SD
					More data for this Ligand-Target Pair
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM50106501 (6,7-Dichloro-5,8-quinolinequinone | 6,7-Dichloro-q...) Show SMILES ClC1=C(Cl)C(=O)c2ncccc2C1=O |c:1| Show InChI InChI=1S/C9H3Cl2NO2/c10-5-6(11)9(14)7-4(8(5)13)2-1-3-12-7/h1-3H	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human coxsackievirus B3 protease 3C expressed in Escherichia coli (BL21) using fluorogenic-Dabcyl-KEALFQGPPQFE-Edans as substrate after...				Bioorg Med Chem Lett 28: 2533-2538 (2018) Article DOI: 10.1016/j.bmcl.2018.05.046 BindingDB Entry DOI: 10.7270/Q2HT2S0T
					More data for this Ligand-Target Pair
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM50462022 (CHEMBL4227412) Show SMILES Cc1[nH]c2ccccc2c1C1=C(Cl)C(=O)c2ncccc2C1=O |c:12| Show InChI InChI=1S/C18H11ClN2O2/c1-9-13(10-5-2-3-7-12(10)21-9)14-15(19)18(23)16-11(17(14)22)6-4-8-20-16/h2-8,21H,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human coxsackievirus B3 protease 3C expressed in Escherichia coli (BL21) using fluorogenic-Dabcyl-KEALFQGPPQFE-Edans as substrate after...				Bioorg Med Chem Lett 28: 2533-2538 (2018) Article DOI: 10.1016/j.bmcl.2018.05.046 BindingDB Entry DOI: 10.7270/Q2HT2S0T
					More data for this Ligand-Target Pair
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM50462021 (CHEMBL4227020) Show SMILES O=C1c2nc([nH]c2C(=O)C(Sc2ccccc2)=C1Sc1ccccc1)-c1ccncc1 |c:18| Show InChI InChI=1S/C24H15N3O2S2/c28-20-18-19(27-24(26-18)15-11-13-25-14-12-15)21(29)23(31-17-9-5-2-6-10-17)22(20)30-16-7-3-1-4-8-16/h1-14H,(H,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human coxsackievirus B3 protease 3C expressed in Escherichia coli (BL21) using fluorogenic-Dabcyl-KEALFQGPPQFE-Edans as substrate after...				Bioorg Med Chem Lett 28: 2533-2538 (2018) Article DOI: 10.1016/j.bmcl.2018.05.046 BindingDB Entry DOI: 10.7270/Q2HT2S0T
					More data for this Ligand-Target Pair
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM50462025 (CHEMBL331941) Show SMILES Cc1nc2c([nH]1)C(=O)C(Nc1ccc(C)cc1)=C(Cl)C2=O |t:18| Show InChI InChI=1S/C15H12ClN3O2/c1-7-3-5-9(6-4-7)19-11-10(16)14(20)12-13(15(11)21)18-8(2)17-12/h3-6,19H,1-2H3,(H,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human coxsackievirus B3 protease 3C expressed in Escherichia coli (BL21) using fluorogenic-Dabcyl-KEALFQGPPQFE-Edans as substrate after...				Bioorg Med Chem Lett 28: 2533-2538 (2018) Article DOI: 10.1016/j.bmcl.2018.05.046 BindingDB Entry DOI: 10.7270/Q2HT2S0T
					More data for this Ligand-Target Pair
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM50462019 (CHEMBL259499) Show SMILES Cc1nc2c([nH]1)C(=O)C(Nc1ccc(cc1)C(F)(F)F)=C(Cl)C2=O |t:21| Show InChI InChI=1S/C15H9ClF3N3O2/c1-6-20-11-12(21-6)14(24)10(9(16)13(11)23)22-8-4-2-7(3-5-8)15(17,18)19/h2-5,22H,1H3,(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	840	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human coxsackievirus B3 protease 3C expressed in Escherichia coli (BL21) using fluorogenic-Dabcyl-KEALFQGPPQFE-Edans as substrate after...				Bioorg Med Chem Lett 28: 2533-2538 (2018) Article DOI: 10.1016/j.bmcl.2018.05.046 BindingDB Entry DOI: 10.7270/Q2HT2S0T
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus 14)	BDBM50462014 (CHEMBL4224853) Show SMILES COc1ccc(OC2=C(Cl)C(=O)c3ccccc3C2=O)c(c1)[N+]([O-])=O |c:7| Show InChI InChI=1S/C17H10ClNO6/c1-24-9-6-7-13(12(8-9)19(22)23)25-17-14(18)15(20)10-4-2-3-5-11(10)16(17)21/h2-8H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human rhinovirus protease 3C using fluorogenic-Dabcyl-KTSAVLQSGFRKME-Edan as substrate after 5 mins by FRET assay				Bioorg Med Chem Lett 28: 2533-2538 (2018) Article DOI: 10.1016/j.bmcl.2018.05.046 BindingDB Entry DOI: 10.7270/Q2HT2S0T
					More data for this Ligand-Target Pair
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM50462026 (CHEMBL4229177) Show SMILES Cc1nc2c([nH]1)C(=O)C(Cl)=C(Nc1cc(F)cc(F)c1)C2=O |t:10| Show InChI InChI=1S/C14H8ClF2N3O2/c1-5-18-11-12(19-5)14(22)10(9(15)13(11)21)20-8-3-6(16)2-7(17)4-8/h2-4,20H,1H3,(H,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human coxsackievirus B3 protease 3C expressed in Escherichia coli (BL21) using fluorogenic-Dabcyl-KEALFQGPPQFE-Edans as substrate after...				Bioorg Med Chem Lett 28: 2533-2538 (2018) Article DOI: 10.1016/j.bmcl.2018.05.046 BindingDB Entry DOI: 10.7270/Q2HT2S0T
					More data for this Ligand-Target Pair
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM50462023 (CHEMBL4226298) Show SMILES Cc1[nH]c2ccccc2c1C1=C(O)C(=O)c2ncccc2C1=O |c:12| Show InChI InChI=1S/C18H12N2O3/c1-9-13(10-5-2-3-7-12(10)20-9)14-16(21)11-6-4-8-19-15(11)18(23)17(14)22/h2-8,20,22H,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human coxsackievirus B3 protease 3C expressed in Escherichia coli (BL21) using fluorogenic-Dabcyl-KEALFQGPPQFE-Edans as substrate after...				Bioorg Med Chem Lett 28: 2533-2538 (2018) Article DOI: 10.1016/j.bmcl.2018.05.046 BindingDB Entry DOI: 10.7270/Q2HT2S0T
					More data for this Ligand-Target Pair
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM50462018 (CHEMBL4225972) Show SMILES FC(F)C(F)(F)Oc1ccc(cc1N1C(=O)C=CC1=O)N1C(=O)C=CC1=O |c:17,25| Show InChI InChI=1S/C16H8F4N2O5/c17-15(18)16(19,20)27-10-2-1-8(21-11(23)3-4-12(21)24)7-9(10)22-13(25)5-6-14(22)26/h1-7,15H	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human coxsackievirus B3 protease 3C expressed in Escherichia coli (BL21) using fluorogenic-Dabcyl-KEALFQGPPQFE-Edans as substrate after...				Bioorg Med Chem Lett 28: 2533-2538 (2018) Article DOI: 10.1016/j.bmcl.2018.05.046 BindingDB Entry DOI: 10.7270/Q2HT2S0T
					More data for this Ligand-Target Pair
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM50462015 (CHEMBL4227149) Show SMILES Oc1ccc(OC2=C(Oc3ccc(O)cc3)C(=O)c3ncccc3C2=O)cc1 |c:6| Show InChI InChI=1S/C21H13NO6/c23-12-3-7-14(8-4-12)27-20-18(25)16-2-1-11-22-17(16)19(26)21(20)28-15-9-5-13(24)6-10-15/h1-11,23-24H	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human coxsackievirus B3 protease 3C expressed in Escherichia coli (BL21) using fluorogenic-Dabcyl-KEALFQGPPQFE-Edans as substrate after...				Bioorg Med Chem Lett 28: 2533-2538 (2018) Article DOI: 10.1016/j.bmcl.2018.05.046 BindingDB Entry DOI: 10.7270/Q2HT2S0T
					More data for this Ligand-Target Pair
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM50462014 (CHEMBL4224853) Show SMILES COc1ccc(OC2=C(Cl)C(=O)c3ccccc3C2=O)c(c1)[N+]([O-])=O |c:7| Show InChI InChI=1S/C17H10ClNO6/c1-24-9-6-7-13(12(8-9)19(22)23)25-17-14(18)15(20)10-4-2-3-5-11(10)16(17)21/h2-8H,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human coxsackievirus B3 protease 3C expressed in Escherichia coli (BL21) using fluorogenic-Dabcyl-KEALFQGPPQFE-Edans as substrate after...				Bioorg Med Chem Lett 28: 2533-2538 (2018) Article DOI: 10.1016/j.bmcl.2018.05.046 BindingDB Entry DOI: 10.7270/Q2HT2S0T
					More data for this Ligand-Target Pair
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM50462017 (CHEMBL4229199) Show SMILES COC(=O)\C=C\C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C |r,@@:17| Show InChI InChI=1S/C14H23NO5/c1-9(2)12(10(16)7-8-11(17)19-6)15-13(18)20-14(3,4)5/h7-9,12H,1-6H3,(H,15,18)/b8-7+/t12-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human coxsackievirus B3 protease 3C expressed in Escherichia coli (BL21) using fluorogenic-Dabcyl-KEALFQGPPQFE-Edans as substrate after...				Bioorg Med Chem Lett 28: 2533-2538 (2018) Article DOI: 10.1016/j.bmcl.2018.05.046 BindingDB Entry DOI: 10.7270/Q2HT2S0T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50157911 (13a-hydroxy-10-(4-methoxyphenyl)-5,5,5a,7a,13b-pen...) Show SMILES COc1ccc(cc1)-c1cc2O[C@]3(C)CC[C@@]4(O)[C@](C)(CCC(=O)OC4(C)C)[C@]3(O)Cc2c(=O)o1 Show InChI InChI=1S/C27H32O8/c1-23(2)26(30)13-12-25(4)27(31,24(26,3)11-10-21(28)35-23)15-18-20(34-25)14-19(33-22(18)29)16-6-8-17(32-5)9-7-16/h6-9,14,30-31H,10-13,15H2,1-5H3/t24-,25+,26-,27+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Inhibitory concentration against Acetylcholinesterase activity				Bioorg Med Chem Lett 15: 353-6 (2004) Article DOI: 10.1016/j.bmcl.2004.10.067 BindingDB Entry DOI: 10.7270/Q2CN73CD
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50090486 (CHEMBL3581713) Show SMILES [H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@]3([H])CC[C@@]21C)[C@](C)(C\C=C\C(C)C)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C34H38Cl2N2O6S/c1-41-29-18-24(19-30(42-2)31(29)43-3)32(39)38-16-17-44-33(22-38,25-8-9-27(35)28(36)20-25)10-13-37-14-11-34(12-15-37)26-7-5-4-6-23(26)21-45(34)40/h4-9,18-20H,10-17,21-22H2,1-3H3/t33-,45?/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chungbuk National University Curated by ChEMBL					Assay Description Inhibition of IL6-induced STAT3 activation in human Hep3B cells after 12 hrs by luciferase assay				J Nat Prod 78: 971-6 (2015) Article DOI: 10.1021/np500803e BindingDB Entry DOI: 10.7270/Q22B90SD
					More data for this Ligand-Target Pair
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM50462016 (CHEMBL3213811) Show SMILES Cc1ccc(N\N=C\c2c(O)cc(C)oc2=O)cc1 Show InChI InChI=1S/C14H14N2O3/c1-9-3-5-11(6-4-9)16-15-8-12-13(17)7-10(2)19-14(12)18/h3-8,16-17H,1-2H3/b15-8+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human coxsackievirus B3 protease 3C expressed in Escherichia coli (BL21) using fluorogenic-Dabcyl-KEALFQGPPQFE-Edans as substrate after...				Bioorg Med Chem Lett 28: 2533-2538 (2018) Article DOI: 10.1016/j.bmcl.2018.05.046 BindingDB Entry DOI: 10.7270/Q2HT2S0T
					More data for this Ligand-Target Pair
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM50462024 (CHEMBL4225121) Show SMILES CN(CC(C(=O)c1ccc(Cl)cc1)n1cnc2ccccc2c1=O)Cc1ccccc1 Show InChI InChI=1S/C25H22ClN3O2/c1-28(15-18-7-3-2-4-8-18)16-23(24(30)19-11-13-20(26)14-12-19)29-17-27-22-10-6-5-9-21(22)25(29)31/h2-14,17,23H,15-16H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human coxsackievirus B3 protease 3C expressed in Escherichia coli (BL21) using fluorogenic-Dabcyl-KEALFQGPPQFE-Edans as substrate after...				Bioorg Med Chem Lett 28: 2533-2538 (2018) Article DOI: 10.1016/j.bmcl.2018.05.046 BindingDB Entry DOI: 10.7270/Q2HT2S0T
					More data for this Ligand-Target Pair
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM50462027 (CHEMBL4227809) Show SMILES CC1(C)CC2=C(C(=O)C1)C(Nc1ccccc1)(C(=O)O2)C(F)(F)F |c:4| Show InChI InChI=1S/C17H16F3NO3/c1-15(2)8-11(22)13-12(9-15)24-14(23)16(13,17(18,19)20)21-10-6-4-3-5-7-10/h3-7,21H,8-9H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human coxsackievirus B3 protease 3C expressed in Escherichia coli (BL21) using fluorogenic-Dabcyl-KEALFQGPPQFE-Edans as substrate after...				Bioorg Med Chem Lett 28: 2533-2538 (2018) Article DOI: 10.1016/j.bmcl.2018.05.046 BindingDB Entry DOI: 10.7270/Q2HT2S0T
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus 14)	BDBM50462026 (CHEMBL4229177) Show SMILES Cc1nc2c([nH]1)C(=O)C(Cl)=C(Nc1cc(F)cc(F)c1)C2=O |t:10| Show InChI InChI=1S/C14H8ClF2N3O2/c1-5-18-11-12(19-5)14(22)10(9(15)13(11)21)20-8-3-6(16)2-7(17)4-8/h2-4,20H,1H3,(H,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human rhinovirus protease 3C using fluorogenic-Dabcyl-KTSAVLQSGFRKME-Edan as substrate after 5 mins by FRET assay				Bioorg Med Chem Lett 28: 2533-2538 (2018) Article DOI: 10.1016/j.bmcl.2018.05.046 BindingDB Entry DOI: 10.7270/Q2HT2S0T
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50476598 (CHEMBL396065) Show SMILES OC(=O)COC(=O)\C=C\c1ccc(O)c(O)c1 Show InChI InChI=1S/C11H10O6/c12-8-3-1-7(5-9(8)13)2-4-11(16)17-6-10(14)15/h1-5,12-13H,6H2,(H,14,15)/b4-2+	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science & Technology Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 integrase expressed in Escherichia coli				Eur J Med Chem 42: 1309-15 (2007) Article DOI: 10.1016/j.ejmech.2007.02.016 BindingDB Entry DOI: 10.7270/Q2JD50K7
					More data for this Ligand-Target Pair
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM36895 (1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,2,4,5-te...) Show SMILES O=C(CCN1CCc2ccccc2CC1)c1ccc2OCCOc2c1 Show InChI InChI=1S/C21H23NO3/c23-19(18-5-6-20-21(15-18)25-14-13-24-20)9-12-22-10-7-16-3-1-2-4-17(16)8-11-22/h1-6,15H,7-14H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.11E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human coxsackievirus B3 protease 3C expressed in Escherichia coli (BL21) using fluorogenic-Dabcyl-KEALFQGPPQFE-Edans as substrate after...				Bioorg Med Chem Lett 28: 2533-2538 (2018) Article DOI: 10.1016/j.bmcl.2018.05.046 BindingDB Entry DOI: 10.7270/Q2HT2S0T
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50476600 (CHEMBL442795) Show SMILES OC(=O)C(Cc1ccc(O)c(O)c1)NC(=O)\C=C\c1ccc(O)c(O)c1 Show InChI InChI=1S/C18H17NO7/c20-13-4-1-10(8-15(13)22)3-6-17(24)19-12(18(25)26)7-11-2-5-14(21)16(23)9-11/h1-6,8-9,12,20-23H,7H2,(H,19,24)(H,25,26)/b6-3+	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science & Technology Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 integrase expressed in Escherichia coli				Eur J Med Chem 42: 1309-15 (2007) Article DOI: 10.1016/j.ejmech.2007.02.016 BindingDB Entry DOI: 10.7270/Q2JD50K7
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50476592 (CHEMBL397730) Show SMILES OC(=O)[C@@H](OC(=O)\C=C\c1ccc(O)c(O)c1)[C@@H](OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O Show InChI InChI=1S/C22H18O12/c23-13-5-1-11(9-15(13)25)3-7-17(27)33-19(21(29)30)20(22(31)32)34-18(28)8-4-12-2-6-14(24)16(26)10-12/h1-10,19-20,23-26H,(H,29,30)(H,31,32)/b7-3+,8-4+/t19-,20+	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.57E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science & Technology Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 integrase expressed in Escherichia coli				Eur J Med Chem 42: 1309-15 (2007) Article DOI: 10.1016/j.ejmech.2007.02.016 BindingDB Entry DOI: 10.7270/Q2JD50K7
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50090480 (CHEMBL3581705) Show SMILES [H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)C[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@]3([H])CC[C@@]21C)[C@](C)(C\C=C\C(C)(C)O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C17H17NO5/c1-9-8-13(4-5-14(9)19)23-15-10(2)6-12(7-11(15)3)18-16(20)17(21)22/h4-8,19H,1-3H3,(H,18,20)(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.71E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chungbuk National University Curated by ChEMBL					Assay Description Inhibition of IL6-induced STAT3 activation in human Hep3B cells after 12 hrs by luciferase assay				J Nat Prod 78: 971-6 (2015) Article DOI: 10.1021/np500803e BindingDB Entry DOI: 10.7270/Q22B90SD
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50090481 (CHEMBL3581711) Show SMILES [H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)C[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@]3([H])CC[C@@]21C)[C@](C)(C\C=C\C(C)C)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C22H18FNO5/c1-12-8-16(24-21(26)22(27)28)9-13(2)20(12)29-17-6-7-19(25)18(11-17)14-4-3-5-15(23)10-14/h3-11,25H,1-2H3,(H,24,26)(H,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL 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
Chungbuk National University Curated by ChEMBL					Assay Description Inhibition of IL6-induced STAT3 activation in human Hep3B cells after 12 hrs by luciferase assay				J Nat Prod 78: 971-6 (2015) Article DOI: 10.1021/np500803e BindingDB Entry DOI: 10.7270/Q22B90SD
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50090475 (CHEMBL3581709) Show SMILES [H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)C[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@]3([H])CC[C@@]21C)[C@](C)(CCC(=O)C(C)=C)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C22H19NO5/c1-13-10-16(23-21(25)22(26)27)11-14(2)20(13)28-17-8-9-19(24)18(12-17)15-6-4-3-5-7-15/h3-12,24H,1-2H3,(H,23,25)(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.92E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chungbuk National University Curated by ChEMBL					Assay Description Inhibition of IL6-induced STAT3 activation in human Hep3B cells after 12 hrs by luciferase assay				J Nat Prod 78: 971-6 (2015) Article DOI: 10.1021/np500803e BindingDB Entry DOI: 10.7270/Q22B90SD
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50090477 (CHEMBL3581707) Show SMILES [H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)C[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@]3([H])CC[C@@]21C)[C@](C)(C\C=C\C(C)(C)OO)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C22H18ClNO5/c1-12-8-16(24-21(26)22(27)28)9-13(2)20(12)29-17-6-7-19(25)18(11-17)14-4-3-5-15(23)10-14/h3-11,25H,1-2H3,(H,24,26)(H,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chungbuk National University Curated by ChEMBL					Assay Description Inhibition of IL6-induced STAT3 activation in human Hep3B cells after 12 hrs by luciferase assay				J Nat Prod 78: 971-6 (2015) Article DOI: 10.1021/np500803e BindingDB Entry DOI: 10.7270/Q22B90SD
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50090478 (CHEMBL3581706) Show SMILES [H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)C[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@]3([H])CC[C@@]21C)[C@](C)(C\C=C\C(C)(C)OO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C23H18F3NO5/c1-12-8-16(27-21(29)22(30)31)9-13(2)20(12)32-17-6-7-19(28)18(11-17)14-4-3-5-15(10-14)23(24,25)26/h3-11,28H,1-2H3,(H,27,29)(H,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chungbuk National University Curated by ChEMBL					Assay Description Inhibition of IL6-induced STAT3 activation in human Hep3B cells after 12 hrs by luciferase assay				J Nat Prod 78: 971-6 (2015) Article DOI: 10.1021/np500803e BindingDB Entry DOI: 10.7270/Q22B90SD
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50090479 (CHEMBL3581704) Show SMILES [H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)C[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@]3([H])CC[C@@]21C)[C@](C)(C\C=C\C(C)C)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C22H18ClNO5/c1-12-9-14(24-21(26)22(27)28)10-13(2)20(12)29-15-7-8-19(25)17(11-15)16-5-3-4-6-18(16)23/h3-11,25H,1-2H3,(H,24,26)(H,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chungbuk National University Curated by ChEMBL					Assay Description Inhibition of IL6-induced STAT3 activation in human Hep3B cells after 12 hrs by luciferase assay				J Nat Prod 78: 971-6 (2015) Article DOI: 10.1021/np500803e BindingDB Entry DOI: 10.7270/Q22B90SD
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50090476 (CHEMBL3581708) Show SMILES [H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)C[C@@H](O)[C@H](O)C(C)(C)[C@]3([H])CC[C@@]21C)[C@](C)(C\C=C\C(C)(C)OO)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C22H25NO4S/c1-13-10-16(23-21(25)22(26)27)11-14(2)20(13)28-17-8-9-19(24)18(12-17)15-6-4-3-5-7-15/h8-12,15,24H,3-7H2,1-2H3,(H,23,25)(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chungbuk National University Curated by ChEMBL					Assay Description Inhibition of IL6-induced STAT3 activation in human Hep3B cells after 12 hrs by luciferase assay				J Nat Prod 78: 971-6 (2015) Article DOI: 10.1021/np500803e BindingDB Entry DOI: 10.7270/Q22B90SD
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50476591 (CHEMBL243183) Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)\C=C\c1ccc(O)c(O)c1 Show InChI InChI=1S/C18H17NO5/c20-15-8-6-13(11-16(15)21)7-9-17(22)19-14(18(23)24)10-12-4-2-1-3-5-12/h1-9,11,14,20-21H,10H2,(H,19,22)(H,23,24)/b9-7+	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science & Technology Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 integrase expressed in Escherichia coli				Eur J Med Chem 42: 1309-15 (2007) Article DOI: 10.1016/j.ejmech.2007.02.016 BindingDB Entry DOI: 10.7270/Q2JD50K7
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50476599 (CHEMBL244868) Show SMILES CC(OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O Show InChI InChI=1S/C12H12O6/c1-7(12(16)17)18-11(15)5-3-8-2-4-9(13)10(14)6-8/h2-7,13-14H,1H3,(H,16,17)/b5-3+	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.28E+5	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science & Technology Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 integrase expressed in Escherichia coli				Eur J Med Chem 42: 1309-15 (2007) Article DOI: 10.1016/j.ejmech.2007.02.016 BindingDB Entry DOI: 10.7270/Q2JD50K7
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 64 total )  |  Next  |  Last  >>

Jump to: