Compile Data Set for Download or QSAR

Found 112 hits of affinity data for UniProtKB/TrEMBL: P03313   

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
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM50501173 (CHEMBL3968123) Show SMILES Oc1ccc(CCCCC(=O)NNCc2ccc(O)c(O)c2O)cc1 Show InChI InChI=1S/C18H22N2O5/c21-14-8-5-12(6-9-14)3-1-2-4-16(23)20-19-11-13-7-10-15(22)18(25)17(13)24/h5-10,19,21-22,24-25H,1-4,11H2,(H,20,23)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	324	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Competitive inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia coli BL21 (DE3) preincubated with protein followed by ad...				Eur J Med Chem 120: 202-16 (2016) Article DOI: 10.1016/j.ejmech.2016.03.085 BindingDB Entry DOI: 10.7270/Q25B05HD
					More data for this Ligand-Target Pair
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM92521 (TG-0205486) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)OC(C)(C)C)C(=O)NC(C[C@@H]1CCNC1=O)=CCC(=O)C1CC1 |r,w:38.40| Show InChI InChI=1S/C34H50N4O7/c1-21(2)18-27(31(41)36-26(14-15-28(39)24-12-13-24)19-25-16-17-35-30(25)40)37-32(42)29(22(3)45-34(4,5)6)38-33(43)44-20-23-10-8-7-9-11-23/h7-11,14,21-22,24-25,27,29H,12-13,15-20H2,1-6H3,(H,35,40)(H,36,41)(H,37,42)(H,38,43)/t22?,25-,27-,29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	400	-36.5	n/a	n/a	n/a	n/a	n/a	6.5	25
National Yang-Ming University					Assay Description Peptidomimetic inhibitors against CVB3 3Cpro and SARS-CoV 3CLpro. The inhibition constant of SARS 3CLpro was analyzed with reverse-phase HPLC using a...				J Biol Chem 284: 7646-55 (2009) Article DOI: 10.1074/jbc.M807947200 BindingDB Entry DOI: 10.7270/Q2SN07KT
					More data for this Ligand-Target Pair
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM92520 (TG-0204998) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CNC(=O)C(C)(C)C)NC(=O)OCc1ccccc1)C(=O)NC(C[C@@H]1CCNC1=O)=CCC(C)=O |r,w:39.41| Show InChI InChI=1S/C32H47N5O7/c1-20(2)16-25(28(40)35-24(13-12-21(3)38)17-23-14-15-33-27(23)39)36-29(41)26(18-34-30(42)32(4,5)6)37-31(43)44-19-22-10-8-7-9-11-22/h7-11,13,20,23,25-26H,12,14-19H2,1-6H3,(H,33,39)(H,34,42)(H,35,40)(H,36,41)(H,37,43)/t23-,25-,26-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	800	-34.8	n/a	n/a	n/a	n/a	n/a	6.5	25
National Yang-Ming University					Assay Description Peptidomimetic inhibitors against CVB3 3Cpro and SARS-CoV 3CLpro. The inhibition constant of SARS 3CLpro was analyzed with reverse-phase HPLC using a...				J Biol Chem 284: 7646-55 (2009) Article DOI: 10.1074/jbc.M807947200 BindingDB Entry DOI: 10.7270/Q2SN07KT
					More data for this Ligand-Target Pair
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM50501161 (CHEMBL3911377) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CNC(=O)C(C)(C)C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@@H]1CNCC1=O)\C=C\C(C)=O |r| Show InChI InChI=1S/C32H47N5O7/c1-20(2)14-25(28(40)35-24(13-12-21(3)38)15-23-16-33-18-27(23)39)36-29(41)26(17-34-30(42)32(4,5)6)37-31(43)44-19-22-10-8-7-9-11-22/h7-13,20,23-26,33H,14-19H2,1-6H3,(H,34,42)(H,35,40)(H,36,41)(H,37,43)/b13-12+/t23-,24-,25+,26+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Inhibition of recombinant Coxsackievirus B3 C-terminal 6His-tagged 3C protease expressed in Escherichia coli BL21 preincubated for 20 mins followed b...				Eur J Med Chem 120: 202-16 (2016) Article DOI: 10.1016/j.ejmech.2016.03.085 BindingDB Entry DOI: 10.7270/Q25B05HD
					More data for this Ligand-Target Pair
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM11232 (N-[(benzyloxy)carbonyl]-O-(tert-butyl)-L-threonyl-...) Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)OC(C)(C)C |r| Show InChI InChI=1S/C33H50N4O8/c1-8-43-27(38)15-14-25(19-24-16-17-34-29(24)39)35-30(40)26(18-21(2)3)36-31(41)28(22(4)45-33(5,6)7)37-32(42)44-20-23-12-10-9-11-13-23/h9-15,21-22,24-26,28H,8,16-20H2,1-7H3,(H,34,39)(H,35,40)(H,36,41)(H,37,42)/b15-14+/t22?,24-,25+,26-,28-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.50E+3	-33.2	n/a	n/a	n/a	n/a	n/a	6.5	25
National Yang-Ming University					Assay Description Peptidomimetic inhibitors against CVB3 3Cpro and SARS-CoV 3CLpro. The inhibition constant of SARS 3CLpro was analyzed with reverse-phase HPLC using a...				J Biol Chem 284: 7646-55 (2009) Article DOI: 10.1074/jbc.M807947200 BindingDB Entry DOI: 10.7270/Q2SN07KT
					More data for this Ligand-Target Pair
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM11233 (N-[(benzyloxy)carbonyl]-O-(tert-butyl)-L-threonyl-...) Show SMILES C[C@H](OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O |r| Show InChI InChI=1S/C32H48N4O7/c1-21(43-32(2,3)4)27(36-31(41)42-20-23-13-9-6-10-14-23)30(40)35-26(17-22-11-7-5-8-12-22)29(39)34-25(19-37)18-24-15-16-33-28(24)38/h6,9-10,13-14,19,21-22,24-27H,5,7-8,11-12,15-18,20H2,1-4H3,(H,33,38)(H,34,39)(H,35,40)(H,36,41)/t21-,24-,25-,26-,27-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	2.50E+3	-32.0	n/a	n/a	n/a	n/a	n/a	6.5	25
National Yang-Ming University					Assay Description Peptidomimetic inhibitors against CVB3 3Cpro and SARS-CoV 3CLpro. The inhibition constant of SARS 3CLpro was analyzed with reverse-phase HPLC using a...				J Biol Chem 284: 7646-55 (2009) Article DOI: 10.1074/jbc.M807947200 BindingDB Entry DOI: 10.7270/Q2SN07KT
					More data for this Ligand-Target Pair
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM50501750 (CHEMBL4096676) Show SMILES CC(=O)c1cc(C(N)=O)n(C\C=C\c2ccccc2)c1 Show InChI InChI=1S/C16H16N2O2/c1-12(19)14-10-15(16(17)20)18(11-14)9-5-8-13-6-3-2-4-7-13/h2-8,10-11H,9H2,1H3,(H2,17,20)/b8-5+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.97E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universit£t Berlin Curated by ChEMBL					Assay Description Reversible inhibition of Coxsackievirus B3 C-terminal His6-tagged protease 3C expressed in Escherichia coli BL21(DE3) using N-Dabcyl-KTLEALFQGPPVYE-(...				J Med Chem 61: 1218-1230 (2018) Article DOI: 10.1021/acs.jmedchem.7b01440 BindingDB Entry DOI: 10.7270/Q2N58QDB
					More data for this Ligand-Target Pair
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM50501751 (CHEMBL4096233) Show SMILES NC(=O)c1cc(cn1C\C=C\c1ccccc1)C(=O)C(Sc1ccccc1)Sc1ccccc1 Show InChI InChI=1S/C28H24N2O2S2/c29-27(32)25-19-22(20-30(25)18-10-13-21-11-4-1-5-12-21)26(31)28(33-23-14-6-2-7-15-23)34-24-16-8-3-9-17-24/h1-17,19-20,28H,18H2,(H2,29,32)/b13-10+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.72E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universit£t Berlin Curated by ChEMBL					Assay Description Reversible inhibition of Coxsackievirus B3 C-terminal His6-tagged protease 3C expressed in Escherichia coli BL21(DE3) using N-Dabcyl-KTLEALFQGPPVYE-(...				J Med Chem 61: 1218-1230 (2018) Article DOI: 10.1021/acs.jmedchem.7b01440 BindingDB Entry DOI: 10.7270/Q2N58QDB
					More data for this Ligand-Target Pair
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM50501749 (CHEMBL4068292) Show SMILES CC1(C)CC(=O)c2cc(C(N)=O)c(=O)oc2C1 Show InChI InChI=1S/C12H13NO4/c1-12(2)4-8(14)6-3-7(10(13)15)11(16)17-9(6)5-12/h3H,4-5H2,1-2H3,(H2,13,15)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.93E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universit£t Berlin Curated by ChEMBL					Assay Description Inhibition of Coxsackievirus B3 C-terminal His6-tagged protease 3C expressed in Escherichia coli BL21(DE3) using N-Dabcyl-KTLEALFQGPPVYE-(Edans)-NH2 ...				J Med Chem 61: 1218-1230 (2018) Article DOI: 10.1021/acs.jmedchem.7b01440 BindingDB Entry DOI: 10.7270/Q2N58QDB
					More data for this Ligand-Target Pair
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM50501173 (CHEMBL3968123) Show SMILES Oc1ccc(CCCCC(=O)NNCc2ccc(O)c(O)c2O)cc1 Show InChI InChI=1S/C18H22N2O5/c21-14-8-5-12(6-9-14)3-1-2-4-16(23)20-19-11-13-7-10-15(22)18(25)17(13)24/h5-10,19,21-22,24-25H,1-4,11H2,(H,20,23)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia coli BL21 (DE3) preincubated for 5 mins followed by addition of NMA-...				Eur J Med Chem 120: 202-16 (2016) Article DOI: 10.1016/j.ejmech.2016.03.085 BindingDB Entry DOI: 10.7270/Q25B05HD
					More data for this Ligand-Target Pair
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM50501198 (CHEMBL3968504) Show SMILES Oc1ccc(CCC(=O)NNCc2ccc(O)c(O)c2O)cc1 Show InChI InChI=1S/C16H18N2O5/c19-12-5-1-10(2-6-12)3-8-14(21)18-17-9-11-4-7-13(20)16(23)15(11)22/h1-2,4-7,17,19-20,22-23H,3,8-9H2,(H,18,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia coli BL21 (DE3) preincubated for 5 mins followed by addition of NMA-...				Eur J Med Chem 120: 202-16 (2016) Article DOI: 10.1016/j.ejmech.2016.03.085 BindingDB Entry DOI: 10.7270/Q25B05HD
					More data for this Ligand-Target Pair
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM50501209 (CHEMBL3896963) Show SMILES Oc1ccc(CCCC(=O)NNCc2ccc(O)c(O)c2O)cc1 Show InChI InChI=1S/C17H20N2O5/c20-13-7-4-11(5-8-13)2-1-3-15(22)19-18-10-12-6-9-14(21)17(24)16(12)23/h4-9,18,20-21,23-24H,1-3,10H2,(H,19,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia coli BL21 (DE3) preincubated for 5 mins followed by addition of NMA-...				Eur J Med Chem 120: 202-16 (2016) Article DOI: 10.1016/j.ejmech.2016.03.085 BindingDB Entry DOI: 10.7270/Q25B05HD
					More data for this Ligand-Target Pair
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM50501192 (CHEMBL3938952) Show SMILES Oc1ccc(CC(=O)NNCc2ccc(O)c(O)c2O)cc1 Show InChI InChI=1S/C15H16N2O5/c18-11-4-1-9(2-5-11)7-13(20)17-16-8-10-3-6-12(19)15(22)14(10)21/h1-6,16,18-19,21-22H,7-8H2,(H,17,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia coli BL21 (DE3) preincubated for 5 mins followed by addition of NMA-...				Eur J Med Chem 120: 202-16 (2016) Article DOI: 10.1016/j.ejmech.2016.03.085 BindingDB Entry DOI: 10.7270/Q25B05HD
					More data for this Ligand-Target Pair
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM50501212 (CHEMBL3924623) Show SMILES Oc1ccc(CCCCC(=O)N\N=C\c2ccc(O)c(O)c2O)cc1 Show InChI InChI=1S/C18H20N2O5/c21-14-8-5-12(6-9-14)3-1-2-4-16(23)20-19-11-13-7-10-15(22)18(25)17(13)24/h5-11,21-22,24-25H,1-4H2,(H,20,23)/b19-11+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia coli BL21 (DE3) preincubated for 5 mins followed by addition of NMA-...				Eur J Med Chem 120: 202-16 (2016) Article DOI: 10.1016/j.ejmech.2016.03.085 BindingDB Entry DOI: 10.7270/Q25B05HD
					More data for this Ligand-Target Pair
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM50501177 (CHEMBL3984899) Show SMILES Oc1ccc(CCC(=O)N\N=C\c2ccc(O)c(O)c2O)cc1 Show InChI InChI=1S/C16H16N2O5/c19-12-5-1-10(2-6-12)3-8-14(21)18-17-9-11-4-7-13(20)16(23)15(11)22/h1-2,4-7,9,19-20,22-23H,3,8H2,(H,18,21)/b17-9+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia coli BL21 (DE3) preincubated for 5 mins followed by addition of NMA-...				Eur J Med Chem 120: 202-16 (2016) Article DOI: 10.1016/j.ejmech.2016.03.085 BindingDB Entry DOI: 10.7270/Q25B05HD
					More data for this Ligand-Target Pair
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM50485810 (CHEMBL2164935) Show SMILES CC(C)[C@H](NC(=O)c1cc(C)on1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](CCC(N)=O)\C=C\C(=O)OCc1ccnc2ccccc12 |r| Show InChI InChI=1S/C36H39FN6O7/c1-21(2)33(42-35(47)30-18-22(3)50-43-30)36(48)41-29(19-23-8-10-25(37)11-9-23)34(46)40-26(12-14-31(38)44)13-15-32(45)49-20-24-16-17-39-28-7-5-4-6-27(24)28/h4-11,13,15-18,21,26,29,33H,12,14,19-20H2,1-3H3,(H2,38,44)(H,40,46)(H,41,48)(H,42,47)/b15-13+/t26-,29+,33+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of School of Life Sciences Curated by ChEMBL					Assay Description Inhibition of Coxsackievirus B3 protease 3c using NMA-EALFQGPPVK-DNP as substrate incubated for 5 mins prior to substrate addition measured after 1 h...				Bioorg Med Chem Lett 22: 6952-6 (2012) Article DOI: 10.1016/j.bmcl.2012.08.120 BindingDB Entry DOI: 10.7270/Q2MS3WM3
					More data for this Ligand-Target Pair
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM50501169 (CHEMBL3955342) Show SMILES Oc1ccc(CCCC(=O)N\N=C\c2ccc(O)c(O)c2O)cc1 Show InChI InChI=1S/C17H18N2O5/c20-13-7-4-11(5-8-13)2-1-3-15(22)19-18-10-12-6-9-14(21)17(24)16(12)23/h4-10,20-21,23-24H,1-3H2,(H,19,22)/b18-10+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia coli BL21 (DE3) preincubated for 5 mins followed by addition of NMA-...				Eur J Med Chem 120: 202-16 (2016) Article DOI: 10.1016/j.ejmech.2016.03.085 BindingDB Entry DOI: 10.7270/Q25B05HD
					More data for this Ligand-Target Pair
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM50485817 (CHEMBL2164929) Show SMILES CC(C)[C@H](NC(=O)c1cc(C)on1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](CCC(N)=O)\C=C\C(=O)OCc1cn2c(C)cccc2n1 |r| Show InChI InChI=1S/C35H40FN7O7/c1-20(2)32(41-34(47)28-16-22(4)50-42-28)35(48)40-27(17-23-8-10-24(36)11-9-23)33(46)39-25(12-14-29(37)44)13-15-31(45)49-19-26-18-43-21(3)6-5-7-30(43)38-26/h5-11,13,15-16,18,20,25,27,32H,12,14,17,19H2,1-4H3,(H2,37,44)(H,39,46)(H,40,48)(H,41,47)/b15-13+/t25-,27+,32+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of School of Life Sciences Curated by ChEMBL					Assay Description Inhibition of Coxsackievirus B3 protease 3c using NMA-EALFQGPPVK-DNP as substrate incubated for 5 mins prior to substrate addition measured after 1 h...				Bioorg Med Chem Lett 22: 6952-6 (2012) Article DOI: 10.1016/j.bmcl.2012.08.120 BindingDB Entry DOI: 10.7270/Q2MS3WM3
					More data for this Ligand-Target Pair
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM50485807 (CHEMBL2164928) Show SMILES CC(C)[C@H](NC(=O)c1cc(C)on1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](CCC(N)=O)\C=C\C(=O)OCc1cn2cccc(C)c2n1 |r| Show InChI InChI=1S/C35H40FN7O7/c1-20(2)31(41-34(47)28-16-22(4)50-42-28)35(48)40-27(17-23-7-9-24(36)10-8-23)33(46)39-25(11-13-29(37)44)12-14-30(45)49-19-26-18-43-15-5-6-21(3)32(43)38-26/h5-10,12,14-16,18,20,25,27,31H,11,13,17,19H2,1-4H3,(H2,37,44)(H,39,46)(H,40,48)(H,41,47)/b14-12+/t25-,27+,31+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of School of Life Sciences Curated by ChEMBL					Assay Description Inhibition of Coxsackievirus B3 protease 3c using NMA-EALFQGPPVK-DNP as substrate incubated for 5 mins prior to substrate addition measured after 1 h...				Bioorg Med Chem Lett 22: 6952-6 (2012) Article DOI: 10.1016/j.bmcl.2012.08.120 BindingDB Entry DOI: 10.7270/Q2MS3WM3
					More data for this Ligand-Target Pair
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM50501195 (CHEMBL3965219) Show SMILES Oc1ccc(cc1)C(=O)NNCc1ccc(O)c(O)c1O Show InChI InChI=1S/C14H14N2O5/c17-10-4-1-8(2-5-10)14(21)16-15-7-9-3-6-11(18)13(20)12(9)19/h1-6,15,17-20H,7H2,(H,16,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia coli BL21 (DE3) preincubated for 5 mins followed by addition of NMA-...				Eur J Med Chem 120: 202-16 (2016) Article DOI: 10.1016/j.ejmech.2016.03.085 BindingDB Entry DOI: 10.7270/Q25B05HD
					More data for this Ligand-Target Pair
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM50485814 (CHEMBL2164927) Show SMILES CC(C)[C@H](NC(=O)c1cc(C)on1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](CCC(N)=O)\C=C\C(=O)OCc1ccc2[nH]ncc2c1 |r| Show InChI InChI=1S/C34H38FN7O7/c1-19(2)31(40-33(46)28-14-20(3)49-42-28)34(47)39-27(16-21-4-7-24(35)8-5-21)32(45)38-25(9-12-29(36)43)10-13-30(44)48-18-22-6-11-26-23(15-22)17-37-41-26/h4-8,10-11,13-15,17,19,25,27,31H,9,12,16,18H2,1-3H3,(H2,36,43)(H,37,41)(H,38,45)(H,39,47)(H,40,46)/b13-10+/t25-,27+,31+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of School of Life Sciences Curated by ChEMBL					Assay Description Inhibition of Coxsackievirus B3 protease 3c using NMA-EALFQGPPVK-DNP as substrate incubated for 5 mins prior to substrate addition measured after 1 h...				Bioorg Med Chem Lett 22: 6952-6 (2012) Article DOI: 10.1016/j.bmcl.2012.08.120 BindingDB Entry DOI: 10.7270/Q2MS3WM3
					More data for this Ligand-Target Pair
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM50501171 (CHEMBL3956254) Show SMILES Oc1ccc(CC(=O)N\N=C\c2ccc(O)c(O)c2O)cc1 Show InChI InChI=1S/C15H14N2O5/c18-11-4-1-9(2-5-11)7-13(20)17-16-8-10-3-6-12(19)15(22)14(10)21/h1-6,8,18-19,21-22H,7H2,(H,17,20)/b16-8+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia coli BL21 (DE3) preincubated for 5 mins followed by addition of NMA-...				Eur J Med Chem 120: 202-16 (2016) Article DOI: 10.1016/j.ejmech.2016.03.085 BindingDB Entry DOI: 10.7270/Q25B05HD
					More data for this Ligand-Target Pair
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM50501197 (CHEMBL3940618) Show SMILES Oc1ccc(CNNC(=O)CCCCc2ccccc2)c(O)c1O Show InChI InChI=1S/C18H22N2O4/c21-15-11-10-14(17(23)18(15)24)12-19-20-16(22)9-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,10-11,19,21,23-24H,4-5,8-9,12H2,(H,20,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia coli BL21 (DE3) preincubated for 5 mins followed by addition of NMA-...				Eur J Med Chem 120: 202-16 (2016) Article DOI: 10.1016/j.ejmech.2016.03.085 BindingDB Entry DOI: 10.7270/Q25B05HD
					More data for this Ligand-Target Pair
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM50501205 (CHEMBL3985073) Show SMILES Oc1ccc(CNNC(=O)CCc2ccc(F)cc2)c(O)c1O Show InChI InChI=1S/C16H17FN2O4/c17-12-5-1-10(2-6-12)3-8-14(21)19-18-9-11-4-7-13(20)16(23)15(11)22/h1-2,4-7,18,20,22-23H,3,8-9H2,(H,19,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia coli BL21 (DE3) preincubated for 5 mins followed by addition of NMA-...				Eur J Med Chem 120: 202-16 (2016) Article DOI: 10.1016/j.ejmech.2016.03.085 BindingDB Entry DOI: 10.7270/Q25B05HD
					More data for this Ligand-Target Pair
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM50501211 (CHEMBL3912366) Show SMILES Oc1ccc(CNNC(=O)c2ccc(Br)cc2)c(O)c1O Show InChI InChI=1S/C14H13BrN2O4/c15-10-4-1-8(2-5-10)14(21)17-16-7-9-3-6-11(18)13(20)12(9)19/h1-6,16,18-20H,7H2,(H,17,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia coli BL21 (DE3) preincubated for 5 mins followed by addition of NMA-...				Eur J Med Chem 120: 202-16 (2016) Article DOI: 10.1016/j.ejmech.2016.03.085 BindingDB Entry DOI: 10.7270/Q25B05HD
					More data for this Ligand-Target Pair
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM50501193 (CHEMBL3954125) Show SMILES Oc1ccc(CNNC(=O)CCCCc2ccc(F)cc2)c(O)c1O Show InChI InChI=1S/C18H21FN2O4/c19-14-8-5-12(6-9-14)3-1-2-4-16(23)21-20-11-13-7-10-15(22)18(25)17(13)24/h5-10,20,22,24-25H,1-4,11H2,(H,21,23)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia coli BL21 (DE3) preincubated for 5 mins followed by addition of NMA-...				Eur J Med Chem 120: 202-16 (2016) Article DOI: 10.1016/j.ejmech.2016.03.085 BindingDB Entry DOI: 10.7270/Q25B05HD
					More data for this Ligand-Target Pair
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM50501163 (CHEMBL3979141) Show SMILES CC(C)[C@H](NC(=O)c1cc(C)on1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)NNCc1ccc(O)c(O)c1O |r| Show InChI InChI=1S/C26H30FN5O7/c1-13(2)21(30-24(36)19-10-14(3)39-32-19)26(38)29-18(11-15-4-7-17(27)8-5-15)25(37)31-28-12-16-6-9-20(33)23(35)22(16)34/h4-10,13,18,21,28,33-35H,11-12H2,1-3H3,(H,29,38)(H,30,36)(H,31,37)/t18-,21-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia coli BL21 (DE3) preincubated for 5 mins followed by addition of NMA-...				Eur J Med Chem 120: 202-16 (2016) Article DOI: 10.1016/j.ejmech.2016.03.085 BindingDB Entry DOI: 10.7270/Q25B05HD
					More data for this Ligand-Target Pair
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM50485811 (CHEMBL2164932) Show SMILES CC(C)[C@H](NC(=O)c1cc(C)on1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](CCC(N)=O)\C=C\C(=O)OCc1ccc2cnccc2c1 |r| Show InChI InChI=1S/C36H39FN6O7/c1-21(2)33(42-35(47)30-16-22(3)50-43-30)36(48)41-29(18-23-5-8-27(37)9-6-23)34(46)40-28(10-12-31(38)44)11-13-32(45)49-20-24-4-7-26-19-39-15-14-25(26)17-24/h4-9,11,13-17,19,21,28-29,33H,10,12,18,20H2,1-3H3,(H2,38,44)(H,40,46)(H,41,48)(H,42,47)/b13-11+/t28-,29+,33+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of School of Life Sciences Curated by ChEMBL					Assay Description Inhibition of Coxsackievirus B3 protease 3c using NMA-EALFQGPPVK-DNP as substrate incubated for 5 mins prior to substrate addition measured after 1 h...				Bioorg Med Chem Lett 22: 6952-6 (2012) Article DOI: 10.1016/j.bmcl.2012.08.120 BindingDB Entry DOI: 10.7270/Q2MS3WM3
					More data for this Ligand-Target Pair
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM50485808 (CHEMBL2164937) Show SMILES CC(C)[C@H](NC(=O)c1cc(C)on1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](CCC(N)=O)\C=C\C(=O)OCc1nc2ccccc2[nH]1 |r| Show InChI InChI=1S/C34H38FN7O7/c1-19(2)31(41-33(46)27-16-20(3)49-42-27)34(47)40-26(17-21-8-10-22(35)11-9-21)32(45)37-23(12-14-28(36)43)13-15-30(44)48-18-29-38-24-6-4-5-7-25(24)39-29/h4-11,13,15-16,19,23,26,31H,12,14,17-18H2,1-3H3,(H2,36,43)(H,37,45)(H,38,39)(H,40,47)(H,41,46)/b15-13+/t23-,26+,31+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of School of Life Sciences Curated by ChEMBL					Assay Description Inhibition of Coxsackievirus B3 protease 3c using NMA-EALFQGPPVK-DNP as substrate incubated for 5 mins prior to substrate addition measured after 1 h...				Bioorg Med Chem Lett 22: 6952-6 (2012) Article DOI: 10.1016/j.bmcl.2012.08.120 BindingDB Entry DOI: 10.7270/Q2MS3WM3
					More data for this Ligand-Target Pair
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM50485815 (CHEMBL2164933) Show SMILES CC(C)[C@H](NC(=O)c1cc(C)on1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](CCC(N)=O)\C=C\C(=O)OCc1cnc2ccccc2c1 |r| Show InChI InChI=1S/C36H39FN6O7/c1-21(2)33(42-35(47)30-16-22(3)50-43-30)36(48)41-29(18-23-8-10-26(37)11-9-23)34(46)40-27(12-14-31(38)44)13-15-32(45)49-20-24-17-25-6-4-5-7-28(25)39-19-24/h4-11,13,15-17,19,21,27,29,33H,12,14,18,20H2,1-3H3,(H2,38,44)(H,40,46)(H,41,48)(H,42,47)/b15-13+/t27-,29+,33+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of School of Life Sciences Curated by ChEMBL					Assay Description Inhibition of Coxsackievirus B3 protease 3c using NMA-EALFQGPPVK-DNP as substrate incubated for 5 mins prior to substrate addition measured after 1 h...				Bioorg Med Chem Lett 22: 6952-6 (2012) Article DOI: 10.1016/j.bmcl.2012.08.120 BindingDB Entry DOI: 10.7270/Q2MS3WM3
					More data for this Ligand-Target Pair
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM50501208 (CHEMBL3914895) Show SMILES CC(C)(C)OC(=O)NC(Cc1ccc(O)cc1)C(=O)NNCc1ccc(O)c(O)c1O Show InChI InChI=1S/C21H27N3O7/c1-21(2,3)31-20(30)23-15(10-12-4-7-14(25)8-5-12)19(29)24-22-11-13-6-9-16(26)18(28)17(13)27/h4-9,15,22,25-28H,10-11H2,1-3H3,(H,23,30)(H,24,29)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia coli BL21 (DE3) preincubated for 5 mins followed by addition of NMA-...				Eur J Med Chem 120: 202-16 (2016) Article DOI: 10.1016/j.ejmech.2016.03.085 BindingDB Entry DOI: 10.7270/Q25B05HD
					More data for this Ligand-Target Pair
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM50485819 (CHEMBL2164934) Show SMILES CC(C)[C@H](NC(=O)c1cc(C)on1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](CCC(N)=O)\C=C\C(=O)OCc1cccc2cnccc12 |r| Show InChI InChI=1S/C36H39FN6O7/c1-21(2)33(42-35(47)30-17-22(3)50-43-30)36(48)41-29(18-23-7-9-26(37)10-8-23)34(46)40-27(11-13-31(38)44)12-14-32(45)49-20-25-6-4-5-24-19-39-16-15-28(24)25/h4-10,12,14-17,19,21,27,29,33H,11,13,18,20H2,1-3H3,(H2,38,44)(H,40,46)(H,41,48)(H,42,47)/b14-12+/t27-,29+,33+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of School of Life Sciences Curated by ChEMBL					Assay Description Inhibition of Coxsackievirus B3 protease 3c using NMA-EALFQGPPVK-DNP as substrate incubated for 5 mins prior to substrate addition measured after 1 h...				Bioorg Med Chem Lett 22: 6952-6 (2012) Article DOI: 10.1016/j.bmcl.2012.08.120 BindingDB Entry DOI: 10.7270/Q2MS3WM3
					More data for this Ligand-Target Pair
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM50485809 (CHEMBL2164936) Show SMILES CC(C)[C@H](NC(=O)c1cc(C)on1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](CCC(N)=O)\C=C\C(=O)OCc1cccc2ncccc12 |r| Show InChI InChI=1S/C36H39FN6O7/c1-21(2)33(42-35(47)30-18-22(3)50-43-30)36(48)41-29(19-23-9-11-25(37)12-10-23)34(46)40-26(13-15-31(38)44)14-16-32(45)49-20-24-6-4-8-28-27(24)7-5-17-39-28/h4-12,14,16-18,21,26,29,33H,13,15,19-20H2,1-3H3,(H2,38,44)(H,40,46)(H,41,48)(H,42,47)/b16-14+/t26-,29+,33+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of School of Life Sciences Curated by ChEMBL					Assay Description Inhibition of Coxsackievirus B3 protease 3c using NMA-EALFQGPPVK-DNP as substrate incubated for 5 mins prior to substrate addition measured after 1 h...				Bioorg Med Chem Lett 22: 6952-6 (2012) Article DOI: 10.1016/j.bmcl.2012.08.120 BindingDB Entry DOI: 10.7270/Q2MS3WM3
					More data for this Ligand-Target Pair
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM50501158 (CHEMBL3921225) Show SMILES Oc1ccc(cc1)C(=O)N\N=C\c1ccc(O)c(O)c1O Show InChI InChI=1S/C14H12N2O5/c17-10-4-1-8(2-5-10)14(21)16-15-7-9-3-6-11(18)13(20)12(9)19/h1-7,17-20H,(H,16,21)/b15-7+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia coli BL21 (DE3) preincubated for 5 mins followed by addition of NMA-...				Eur J Med Chem 120: 202-16 (2016) Article DOI: 10.1016/j.ejmech.2016.03.085 BindingDB Entry DOI: 10.7270/Q25B05HD
					More data for this Ligand-Target Pair
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM50501202 (CHEMBL3905221) Show SMILES Oc1ccc(CNNC(=O)CCc2ccccc2)c(O)c1O Show InChI InChI=1S/C16H18N2O4/c19-13-8-7-12(15(21)16(13)22)10-17-18-14(20)9-6-11-4-2-1-3-5-11/h1-5,7-8,17,19,21-22H,6,9-10H2,(H,18,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia coli BL21 (DE3) preincubated for 5 mins followed by addition of NMA-...				Eur J Med Chem 120: 202-16 (2016) Article DOI: 10.1016/j.ejmech.2016.03.085 BindingDB Entry DOI: 10.7270/Q25B05HD
					More data for this Ligand-Target Pair
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM50501194 (CHEMBL3984044) Show SMILES Oc1ccc(CNNC(=O)CCCc2ccccc2)c(O)c1O Show InChI InChI=1S/C17H20N2O4/c20-14-10-9-13(16(22)17(14)23)11-18-19-15(21)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-10,18,20,22-23H,4,7-8,11H2,(H,19,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia coli BL21 (DE3) preincubated for 5 mins followed by addition of NMA-...				Eur J Med Chem 120: 202-16 (2016) Article DOI: 10.1016/j.ejmech.2016.03.085 BindingDB Entry DOI: 10.7270/Q25B05HD
					More data for this Ligand-Target Pair
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM50501164 (CHEMBL3965202) Show SMILES Oc1ccc(CNNC(=O)Cc2ccc(F)cc2)c(O)c1O Show InChI InChI=1S/C15H15FN2O4/c16-11-4-1-9(2-5-11)7-13(20)18-17-8-10-3-6-12(19)15(22)14(10)21/h1-6,17,19,21-22H,7-8H2,(H,18,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia coli BL21 (DE3) preincubated for 5 mins followed by addition of NMA-...				Eur J Med Chem 120: 202-16 (2016) Article DOI: 10.1016/j.ejmech.2016.03.085 BindingDB Entry DOI: 10.7270/Q25B05HD
					More data for this Ligand-Target Pair
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM50485820 (CHEMBL2165220) Show SMILES CC(C)[C@H](NC(=O)c1cc(C)on1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](CCC(N)=O)\C=C\C(=O)OCc1ccc2cn[nH]c2c1 |r| Show InChI InChI=1S/C34H38FN7O7/c1-19(2)31(40-33(46)28-14-20(3)49-42-28)34(47)39-27(15-21-5-8-24(35)9-6-21)32(45)38-25(10-12-29(36)43)11-13-30(44)48-18-22-4-7-23-17-37-41-26(23)16-22/h4-9,11,13-14,16-17,19,25,27,31H,10,12,15,18H2,1-3H3,(H2,36,43)(H,37,41)(H,38,45)(H,39,47)(H,40,46)/b13-11+/t25-,27+,31+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of School of Life Sciences Curated by ChEMBL					Assay Description Inhibition of Coxsackievirus B3 protease 3c using NMA-EALFQGPPVK-DNP as substrate incubated for 5 mins prior to substrate addition measured after 1 h...				Bioorg Med Chem Lett 22: 6952-6 (2012) Article DOI: 10.1016/j.bmcl.2012.08.120 BindingDB Entry DOI: 10.7270/Q2MS3WM3
					More data for this Ligand-Target Pair
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM50501166 (CHEMBL3967501) Show SMILES Oc1ccc(CNNC(=O)CCCc2ccc(F)cc2)c(O)c1O Show InChI InChI=1S/C17H19FN2O4/c18-13-7-4-11(5-8-13)2-1-3-15(22)20-19-10-12-6-9-14(21)17(24)16(12)23/h4-9,19,21,23-24H,1-3,10H2,(H,20,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia coli BL21 (DE3) preincubated for 5 mins followed by addition of NMA-...				Eur J Med Chem 120: 202-16 (2016) Article DOI: 10.1016/j.ejmech.2016.03.085 BindingDB Entry DOI: 10.7270/Q25B05HD
					More data for this Ligand-Target Pair
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM50485812 (CHEMBL2164931) Show SMILES CC(C)[C@H](NC(=O)c1cc(C)on1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](CCC(N)=O)\C=C\C(=O)OCc1ccc2ccccc2c1 |r| Show InChI InChI=1S/C37H40FN5O7/c1-22(2)34(42-36(47)31-18-23(3)50-43-31)37(48)41-30(20-24-9-12-28(38)13-10-24)35(46)40-29(14-16-32(39)44)15-17-33(45)49-21-25-8-11-26-6-4-5-7-27(26)19-25/h4-13,15,17-19,22,29-30,34H,14,16,20-21H2,1-3H3,(H2,39,44)(H,40,46)(H,41,48)(H,42,47)/b17-15+/t29-,30+,34+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of School of Life Sciences Curated by ChEMBL					Assay Description Inhibition of Coxsackievirus B3 protease 3c using NMA-EALFQGPPVK-DNP as substrate incubated for 5 mins prior to substrate addition measured after 1 h...				Bioorg Med Chem Lett 22: 6952-6 (2012) Article DOI: 10.1016/j.bmcl.2012.08.120 BindingDB Entry DOI: 10.7270/Q2MS3WM3
					More data for this Ligand-Target Pair
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM50501210 (CHEMBL3938022) Show SMILES Oc1ccc(CNNC(=O)Cc2ccccc2)c(O)c1O Show InChI InChI=1S/C15H16N2O4/c18-12-7-6-11(14(20)15(12)21)9-16-17-13(19)8-10-4-2-1-3-5-10/h1-7,16,18,20-21H,8-9H2,(H,17,19)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia coli BL21 (DE3) preincubated for 5 mins followed by addition of NMA-...				Eur J Med Chem 120: 202-16 (2016) Article DOI: 10.1016/j.ejmech.2016.03.085 BindingDB Entry DOI: 10.7270/Q25B05HD
					More data for this Ligand-Target Pair
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM50501203 (CHEMBL3940356) Show SMILES Oc1ccc(CNNC(=O)c2ccc(Cl)cc2)c(O)c1O Show InChI InChI=1S/C14H13ClN2O4/c15-10-4-1-8(2-5-10)14(21)17-16-7-9-3-6-11(18)13(20)12(9)19/h1-6,16,18-20H,7H2,(H,17,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia coli BL21 (DE3) preincubated for 5 mins followed by addition of NMA-...				Eur J Med Chem 120: 202-16 (2016) Article DOI: 10.1016/j.ejmech.2016.03.085 BindingDB Entry DOI: 10.7270/Q25B05HD
					More data for this Ligand-Target Pair
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM50501167 (CHEMBL3939877) Show SMILES Oc1ccc(\C=N\NC(=O)CCCCc2ccccc2)c(O)c1O Show InChI InChI=1S/C18H20N2O4/c21-15-11-10-14(17(23)18(15)24)12-19-20-16(22)9-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,10-12,21,23-24H,4-5,8-9H2,(H,20,22)/b19-12+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia coli BL21 (DE3) preincubated for 5 mins followed by addition of NMA-...				Eur J Med Chem 120: 202-16 (2016) Article DOI: 10.1016/j.ejmech.2016.03.085 BindingDB Entry DOI: 10.7270/Q25B05HD
					More data for this Ligand-Target Pair
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM50501183 (CHEMBL3930170) Show SMILES Oc1ccc(\C=N\NC(=O)c2ccc(Br)cc2)c(O)c1O Show InChI InChI=1S/C14H11BrN2O4/c15-10-4-1-8(2-5-10)14(21)17-16-7-9-3-6-11(18)13(20)12(9)19/h1-7,18-20H,(H,17,21)/b16-7+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia coli BL21 (DE3) preincubated for 5 mins followed by addition of NMA-...				Eur J Med Chem 120: 202-16 (2016) Article DOI: 10.1016/j.ejmech.2016.03.085 BindingDB Entry DOI: 10.7270/Q25B05HD
					More data for this Ligand-Target Pair
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM50501213 (CHEMBL3921935) Show SMILES Oc1ccc(\C=N\NC(=O)CCCCc2ccc(F)cc2)c(O)c1O Show InChI InChI=1S/C18H19FN2O4/c19-14-8-5-12(6-9-14)3-1-2-4-16(23)21-20-11-13-7-10-15(22)18(25)17(13)24/h5-11,22,24-25H,1-4H2,(H,21,23)/b20-11+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia coli BL21 (DE3) preincubated for 5 mins followed by addition of NMA-...				Eur J Med Chem 120: 202-16 (2016) Article DOI: 10.1016/j.ejmech.2016.03.085 BindingDB Entry DOI: 10.7270/Q25B05HD
					More data for this Ligand-Target Pair
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM50485818 (CHEMBL2165219) Show SMILES CC(C)[C@H](NC(=O)c1cc(C)on1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](CCC(N)=O)\C=C\C(=O)OCc1ccc2nc[nH]c2c1 |r| Show InChI InChI=1S/C34H38FN7O7/c1-19(2)31(41-33(46)28-14-20(3)49-42-28)34(47)40-27(15-21-4-7-23(35)8-5-21)32(45)39-24(9-12-29(36)43)10-13-30(44)48-17-22-6-11-25-26(16-22)38-18-37-25/h4-8,10-11,13-14,16,18-19,24,27,31H,9,12,15,17H2,1-3H3,(H2,36,43)(H,37,38)(H,39,45)(H,40,47)(H,41,46)/b13-10+/t24-,27+,31+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of School of Life Sciences Curated by ChEMBL					Assay Description Inhibition of Coxsackievirus B3 protease 3c using NMA-EALFQGPPVK-DNP as substrate incubated for 5 mins prior to substrate addition measured after 1 h...				Bioorg Med Chem Lett 22: 6952-6 (2012) Article DOI: 10.1016/j.bmcl.2012.08.120 BindingDB Entry DOI: 10.7270/Q2MS3WM3
					More data for this Ligand-Target Pair
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM50501200 (CHEMBL3931321) Show SMILES CC(C)(C)OC(=O)NC(Cc1ccc(O)cc1)C(=O)N\N=C\c1ccc(O)c(O)c1O Show InChI InChI=1S/C21H25N3O7/c1-21(2,3)31-20(30)23-15(10-12-4-7-14(25)8-5-12)19(29)24-22-11-13-6-9-16(26)18(28)17(13)27/h4-9,11,15,25-28H,10H2,1-3H3,(H,23,30)(H,24,29)/b22-11+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia coli BL21 (DE3) preincubated for 5 mins followed by addition of NMA-...				Eur J Med Chem 120: 202-16 (2016) Article DOI: 10.1016/j.ejmech.2016.03.085 BindingDB Entry DOI: 10.7270/Q25B05HD
					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
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM50501179 (CHEMBL3930870) Show SMILES Oc1ccc(\C=N\NC(=O)CCc2ccc(F)cc2)c(O)c1O Show InChI InChI=1S/C16H15FN2O4/c17-12-5-1-10(2-6-12)3-8-14(21)19-18-9-11-4-7-13(20)16(23)15(11)22/h1-2,4-7,9,20,22-23H,3,8H2,(H,19,21)/b18-9+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia coli BL21 (DE3) preincubated for 5 mins followed by addition of NMA-...				Eur J Med Chem 120: 202-16 (2016) Article DOI: 10.1016/j.ejmech.2016.03.085 BindingDB Entry DOI: 10.7270/Q25B05HD
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 112 total )  |  Next  |  Last  >>

Jump to: