Compile Data Set for Download or QSAR

Found 361 hits of ic50 data for polymerid = 1279,2331   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Falcipain 2 (Plasmodium falciparum)	BDBM50461249 (CHEMBL1215628) Show SMILES CC(C)CN(NC(=O)c1ccc(CN2CCN(C)CC2)cc1)c1nc(ncc1Br)C#N Show InChI InChI=1S/C22H28BrN7O/c1-16(2)14-30(21-19(23)13-25-20(12-24)26-21)27-22(31)18-6-4-17(5-7-18)15-29-10-8-28(3)9-11-29/h4-7,13,16H,8-11,14-15H2,1-3H3,(H,27,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum falcipain-2				Bioorg Med Chem Lett 28: 1540-1544 (2018) Article DOI: 10.1016/j.bmcl.2018.03.069 BindingDB Entry DOI: 10.7270/Q2G44SW1
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50461265 (CHEMBL4226307) Show SMILES O=C(NC1(CC1)C#N)[C@H](Cc1cccnc1)NC(=O)c1cccc(c1)-c1cn[nH]c1 |r| Show InChI InChI=1S/C22H20N6O2/c23-14-22(6-7-22)28-21(30)19(9-15-3-2-8-24-11-15)27-20(29)17-5-1-4-16(10-17)18-12-25-26-13-18/h1-5,8,10-13,19H,6-7,9H2,(H,25,26)(H,27,29)(H,28,30)/t19-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum falcipain-2				Bioorg Med Chem Lett 28: 1540-1544 (2018) Article DOI: 10.1016/j.bmcl.2018.03.069 BindingDB Entry DOI: 10.7270/Q2G44SW1
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50243232 (CHEMBL486232 | GNF-PF-5434 | N-((S)-4-methyl-1-oxo...) Show SMILES CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c1ccccc1 |r,w:27.29| Show InChI InChI=1S/C28H37N3O5S/c1-22(2)21-26(30-28(33)31-16-18-36-19-17-31)27(32)29-24(14-13-23-9-5-3-6-10-23)15-20-37(34,35)25-11-7-4-8-12-25/h3-12,15,20,22,24,26H,13-14,16-19,21H2,1-2H3,(H,29,32)(H,30,33)/t24-,26-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
University of Algarve Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant falcipain 2				Bioorg Med Chem Lett 18: 4210-4 (2008) Article DOI: 10.1016/j.bmcl.2008.05.068 BindingDB Entry DOI: 10.7270/Q27H1JDB
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50461271 (CHEMBL4224764) Show SMILES Cn1nc(cc1-c1ccc(s1)C(=O)N[C@@H](Cc1cccnc1)C(=O)NC1(CC1)C#N)C(F)(F)F |r| Show InChI InChI=1S/C22H19F3N6O2S/c1-31-15(10-18(30-31)22(23,24)25)16-4-5-17(34-16)20(33)28-14(9-13-3-2-8-27-11-13)19(32)29-21(12-26)6-7-21/h2-5,8,10-11,14H,6-7,9H2,1H3,(H,28,33)(H,29,32)/t14-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum falcipain-2				Bioorg Med Chem Lett 28: 1540-1544 (2018) Article DOI: 10.1016/j.bmcl.2018.03.069 BindingDB Entry DOI: 10.7270/Q2G44SW1
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50461272 (CHEMBL4227031) Show SMILES CN1CCN(Cc2ccc(cc2)-c2cncc(c2)C(=O)N[C@@H](Cc2cccnc2)C(=O)NC2(CC2)C#N)CC1 |r| Show InChI InChI=1S/C30H33N7O2/c1-36-11-13-37(14-12-36)20-22-4-6-24(7-5-22)25-16-26(19-33-18-25)28(38)34-27(15-23-3-2-10-32-17-23)29(39)35-30(21-31)8-9-30/h2-7,10,16-19,27H,8-9,11-15,20H2,1H3,(H,34,38)(H,35,39)/t27-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum falcipain-2				Bioorg Med Chem Lett 28: 1540-1544 (2018) Article DOI: 10.1016/j.bmcl.2018.03.069 BindingDB Entry DOI: 10.7270/Q2G44SW1
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50461269 (CHEMBL4227166) Show SMILES O=C(NC1(CC1)C#N)[C@H](Cc1cccnc1)NC(=O)c1cccc(c1)-c1ncc[nH]1 |r| Show InChI InChI=1S/C22H20N6O2/c23-14-22(6-7-22)28-21(30)18(11-15-3-2-8-24-13-15)27-20(29)17-5-1-4-16(12-17)19-25-9-10-26-19/h1-5,8-10,12-13,18H,6-7,11H2,(H,25,26)(H,27,29)(H,28,30)/t18-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum falcipain-2				Bioorg Med Chem Lett 28: 1540-1544 (2018) Article DOI: 10.1016/j.bmcl.2018.03.069 BindingDB Entry DOI: 10.7270/Q2G44SW1
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50033708 (CHEMBL3358129) Show SMILES [O-]C(=O)C(F)(F)F.CO[C@H]1CC(=O)N([C@H]1C)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)[NH+](C)C |r| Show InChI InChI=1S/C30H53N5O6/c1-17(2)14-22(32-29(39)23(15-18(3)4)33-30(40)27(19(5)6)34(9)10)28(38)31-20(7)12-13-25(36)35-21(8)24(41-11)16-26(35)37/h12-13,17-24,27H,14-16H2,1-11H3,(H,31,38)(H,32,39)(H,33,40)/p+1/b13-12+/t20-,21-,22-,23-,24-,27-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum FP2 using Z-Phe-Arg-AMC as substrate incubated for 30 mins prior to substrate addition measured after 30 mins by ...				J Med Chem 57: 10557-63 (2014) Article DOI: 10.1021/jm501439w BindingDB Entry DOI: 10.7270/Q2TM7CQW
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50461270 (CHEMBL4227486) Show SMILES O=C(NC1(CC1)C#N)[C@H](Cc1cccnc1)NC(=O)c1cccc(c1)-n1cnnn1 |r| Show InChI InChI=1S/C20H18N8O2/c21-12-20(6-7-20)25-19(30)17(9-14-3-2-8-22-11-14)24-18(29)15-4-1-5-16(10-15)28-13-23-26-27-28/h1-5,8,10-11,13,17H,6-7,9H2,(H,24,29)(H,25,30)/t17-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum falcipain-2				Bioorg Med Chem Lett 28: 1540-1544 (2018) Article DOI: 10.1016/j.bmcl.2018.03.069 BindingDB Entry DOI: 10.7270/Q2G44SW1
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50033628 (CHEMBL3358142) Show SMILES [O-]C(=O)C(F)(F)F.COC1=CC(=O)N([C@H]1Cc1ccc(O)cc1)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)[NH+](C)C |r,t:8| Show InChI InChI=1S/C36H55N5O7/c1-21(2)17-27(38-35(46)28(18-22(3)4)39-36(47)33(23(5)6)40(8)9)34(45)37-24(7)11-16-31(43)41-29(30(48-10)20-32(41)44)19-25-12-14-26(42)15-13-25/h11-16,20-24,27-29,33,42H,17-19H2,1-10H3,(H,37,45)(H,38,46)(H,39,47)/p+1/b16-11+/t24-,27-,28-,29-,33-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum FP2 using Z-Phe-Arg-AMC as substrate incubated for 30 mins prior to substrate addition measured after 30 mins by ...				J Med Chem 57: 10557-63 (2014) Article DOI: 10.1021/jm501439w BindingDB Entry DOI: 10.7270/Q2TM7CQW
					More data for this Ligand-Target Pair
Falcipain-2 (Plasmodium falciparum)	BDBM12041 ((2S)-2-({5-[(diaminomethylidene)amino]-1-oxopentan...) Show SMILES CC(C)C[C@H](NC(CCCNC(N)=N)C=O)C(=O)NC(=O)[C@H](CC(C)C)NC(C)=O |r| Show InChI InChI=1S/C20H38N6O4/c1-12(2)9-16(24-14(5)28)18(29)26-19(30)17(10-13(3)4)25-15(11-27)7-6-8-23-20(21)22/h11-13,15-17,25H,6-10H2,1-5H3,(H,24,28)(H4,21,22,23)(H,26,29,30)/t15?,16-,17-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	5.5	22
Universidad Central de Venezuela					Assay Description The substrate peptide terminating in AMC is processed by falcipain-2 with or without inhibitors, and the accumulation of AMC was monitored in a Labsy...				J Med Chem 48: 3654-8 (2005) Article DOI: 10.1021/jm058208o BindingDB Entry DOI: 10.7270/Q2GF0RRD
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50461267 (CHEMBL4227427) Show SMILES Cn1nc(cc1-c1ccc(s1)C(=O)N[C@@H](Cc1cccnc1)C(=O)NC1(CCS(=O)(=O)CC1)C#N)C(F)(F)F |r| Show InChI InChI=1S/C24H23F3N6O4S2/c1-33-17(12-20(32-33)24(25,26)27)18-4-5-19(38-18)22(35)30-16(11-15-3-2-8-29-13-15)21(34)31-23(14-28)6-9-39(36,37)10-7-23/h2-5,8,12-13,16H,6-7,9-11H2,1H3,(H,30,35)(H,31,34)/t16-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum falcipain-2				Bioorg Med Chem Lett 28: 1540-1544 (2018) Article DOI: 10.1016/j.bmcl.2018.03.069 BindingDB Entry DOI: 10.7270/Q2G44SW1
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50033761 (CHEMBL3358128) Show SMILES [O-]C(=O)C(F)(F)F.COC1=CC(=O)N([C@H]1C)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)[NH+](C)C |r,t:8| Show InChI InChI=1S/C30H51N5O6/c1-17(2)14-22(32-29(39)23(15-18(3)4)33-30(40)27(19(5)6)34(9)10)28(38)31-20(7)12-13-25(36)35-21(8)24(41-11)16-26(35)37/h12-13,16-23,27H,14-15H2,1-11H3,(H,31,38)(H,32,39)(H,33,40)/p+1/b13-12+/t20-,21-,22-,23-,27-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum FP2 using Z-Phe-Arg-AMC as substrate incubated for 30 mins prior to substrate addition measured after 30 mins by ...				J Med Chem 57: 10557-63 (2014) Article DOI: 10.1021/jm501439w BindingDB Entry DOI: 10.7270/Q2TM7CQW
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50033625 (CHEMBL3352874) Show SMILES [O-]C(=O)C(F)(F)F.CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)[NH+](C)C)C(=O)N[C@@H](C)\C=C\C(=O)N1[C@@H](C(C)C)C(OCc2ccccc2)=CC1=O |r,c:52| Show InChI InChI=1S/C38H59N5O6/c1-23(2)19-29(40-37(47)30(20-24(3)4)41-38(48)35(26(7)8)42(10)11)36(46)39-27(9)17-18-32(44)43-33(45)21-31(34(43)25(5)6)49-22-28-15-13-12-14-16-28/h12-18,21,23-27,29-30,34-35H,19-20,22H2,1-11H3,(H,39,46)(H,40,47)(H,41,48)/p+1/b18-17+/t27-,29-,30-,34-,35-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum FP2 using Z-Phe-Arg-AMC as substrate incubated for 30 mins prior to substrate addition measured after 30 mins by ...				J Med Chem 57: 10557-63 (2014) Article DOI: 10.1021/jm501439w BindingDB Entry DOI: 10.7270/Q2TM7CQW
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50461260 (CHEMBL4228926) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)-c1ccccc1)C(=O)NC1(CCS(=O)(=O)CC1)C#N |r| Show InChI InChI=1S/C25H29N3O4S/c1-18(2)16-22(24(30)28-25(17-26)12-14-33(31,32)15-13-25)27-23(29)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,18,22H,12-16H2,1-2H3,(H,27,29)(H,28,30)/t22-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum falcipain-2				Bioorg Med Chem Lett 28: 1540-1544 (2018) Article DOI: 10.1016/j.bmcl.2018.03.069 BindingDB Entry DOI: 10.7270/Q2G44SW1
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50461266 (CHEMBL4226577) Show SMILES CS(=O)(=O)c1cccc(c1)-c1cccc(c1)C(=O)N[C@@H](Cc1cccnc1)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C26H24N4O4S/c1-35(33,34)22-9-3-7-20(15-22)19-6-2-8-21(14-19)24(31)29-23(13-18-5-4-12-28-16-18)25(32)30-26(17-27)10-11-26/h2-9,12,14-16,23H,10-11,13H2,1H3,(H,29,31)(H,30,32)/t23-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum falcipain-2				Bioorg Med Chem Lett 28: 1540-1544 (2018) Article DOI: 10.1016/j.bmcl.2018.03.069 BindingDB Entry DOI: 10.7270/Q2G44SW1
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50033762 (Gallinamide A) Show SMILES CC[C@H](C)[C@H](N(C)C)C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)\C=C\C(=O)N1[C@@H](C)C(OC)=CC1=O |r,c:38| Show InChI InChI=1S/C31H52N4O7/c1-12-20(6)28(34(9)10)31(40)42-25(16-19(4)5)30(39)33-23(15-18(2)3)29(38)32-21(7)13-14-26(36)35-22(8)24(41-11)17-27(35)37/h13-14,17-23,25,28H,12,15-16H2,1-11H3,(H,32,38)(H,33,39)/b14-13+/t20-,21-,22-,23-,25-,28-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of FP2' in Plasmodium falciparum trophozoite stage after 1 hr by SDS-PAGE analysis				J Med Chem 57: 10557-63 (2014) Article DOI: 10.1021/jm501439w BindingDB Entry DOI: 10.7270/Q2TM7CQW
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50033762 (Gallinamide A) Show SMILES CC[C@H](C)[C@H](N(C)C)C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)\C=C\C(=O)N1[C@@H](C)C(OC)=CC1=O |r,c:38| Show InChI InChI=1S/C31H52N4O7/c1-12-20(6)28(34(9)10)31(40)42-25(16-19(4)5)30(39)33-23(15-18(2)3)29(38)32-21(7)13-14-26(36)35-22(8)24(41-11)17-27(35)37/h13-14,17-23,25,28H,12,15-16H2,1-11H3,(H,32,38)(H,33,39)/b14-13+/t20-,21-,22-,23-,25-,28-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of FP2 in Plasmodium falciparum trophozoite stage after 1 hr by SDS-PAGE analysis				J Med Chem 57: 10557-63 (2014) Article DOI: 10.1021/jm501439w BindingDB Entry DOI: 10.7270/Q2TM7CQW
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50461264 (CHEMBL4227848) Show SMILES CN1CCCC(C1)c1cccc(c1)C(=O)N[C@@H](Cc1cccnc1)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C25H29N5O2/c1-30-12-4-8-21(16-30)19-6-2-7-20(14-19)23(31)28-22(13-18-5-3-11-27-15-18)24(32)29-25(17-26)9-10-25/h2-3,5-7,11,14-15,21-22H,4,8-10,12-13,16H2,1H3,(H,28,31)(H,29,32)/t21?,22-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum falcipain-2				Bioorg Med Chem Lett 28: 1540-1544 (2018) Article DOI: 10.1016/j.bmcl.2018.03.069 BindingDB Entry DOI: 10.7270/Q2G44SW1
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50033630 (CHEMBL3358141) Show SMILES [O-]C(=O)C(F)(F)F.COC1=CC(=O)N([C@H]1C(C)C)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)[NH+](C)C |r,t:8| Show InChI InChI=1S/C32H55N5O6.C2HF3O2/c1-18(2)15-23(34-31(41)24(16-19(3)4)35-32(42)29(21(7)8)36(10)11)30(40)33-22(9)13-14-26(38)37-27(39)17-25(43-12)28(37)20(5)6;3-2(4,5)1(6)7/h13-14,17-24,28-29H,15-16H2,1-12H3,(H,33,40)(H,34,41)(H,35,42);(H,6,7)/b14-13+;/t22-,23-,24-,28-,29-;/m0./s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum FP2 using Z-Phe-Arg-AMC as substrate incubated for 30 mins prior to substrate addition measured after 30 mins by ...				J Med Chem 57: 10557-63 (2014) Article DOI: 10.1021/jm501439w BindingDB Entry DOI: 10.7270/Q2TM7CQW
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50033626 (CHEMBL3358144) Show SMILES [O-]C(=O)C(F)(F)F.CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)[NH+](C)C)C(=O)N[C@@H](C)\C=C\C(=O)N1CC(OCc2ccccc2)=CC1=O |r,c:49| Show InChI InChI=1S/C35H53N5O6/c1-22(2)17-28(37-34(44)29(18-23(3)4)38-35(45)32(24(5)6)39(8)9)33(43)36-25(7)15-16-30(41)40-20-27(19-31(40)42)46-21-26-13-11-10-12-14-26/h10-16,19,22-25,28-29,32H,17-18,20-21H2,1-9H3,(H,36,43)(H,37,44)(H,38,45)/p+1/b16-15+/t25-,28-,29-,32-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.60	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum FP2 using Z-Phe-Arg-AMC as substrate incubated for 30 mins prior to substrate addition measured after 30 mins by ...				J Med Chem 57: 10557-63 (2014) Article DOI: 10.1021/jm501439w BindingDB Entry DOI: 10.7270/Q2TM7CQW
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50033627 (CHEMBL3358143) Show SMILES [O-]C(=O)C(F)(F)F.COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)[NH+](C)C |r,t:8| Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum FP2 using Z-Phe-Arg-AMC as substrate incubated for 30 mins prior to substrate addition measured after 30 mins by ...				J Med Chem 57: 10557-63 (2014) Article DOI: 10.1021/jm501439w BindingDB Entry DOI: 10.7270/Q2TM7CQW
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50157741 (CHEMBL374508 | E-64 | E64) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@@H]-1-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7] |r| Show InChI InChI=1S/C15H27N5O5/c1-8(2)7-9(20-13(22)10-11(25-10)14(23)24)12(21)18-5-3-4-6-19-15(16)17/h8-11H,3-7H2,1-2H3,(H,18,21)(H,20,22)(H,23,24)(H4,16,17,19)/t9-,10-,11-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant falcipain-2				J Med Chem 47: 6609-15 (2004) Article DOI: 10.1021/jm0493717 BindingDB Entry DOI: 10.7270/Q2GT5P0D
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50157741 (CHEMBL374508 | E-64 | E64) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@@H]-1-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7] |r| Show InChI InChI=1S/C15H27N5O5/c1-8(2)7-9(20-13(22)10-11(25-10)14(23)24)12(21)18-5-3-4-6-19-15(16)17/h8-11H,3-7H2,1-2H3,(H,18,21)(H,20,22)(H,23,24)(H4,16,17,19)/t9-,10-,11-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of falcipain2				J Med Chem 49: 1576-84 (2006) Article DOI: 10.1021/jm0505765 BindingDB Entry DOI: 10.7270/Q2B27W35
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM22985 (Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...) Show SMILES CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12 Show InChI InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Delhi Institute of Pharmaceutical Sciences and Research Curated by ChEMBL					Assay Description Inhibition of falcipain-2 in chloroquine sensitive Plasmodium falciparum MRC-02 schizont stage infected in human erythrocytes assessed as reduction i...				Bioorg Med Chem Lett 28: 1566-1569 (2018) Article DOI: 10.1016/j.bmcl.2018.03.058 BindingDB Entry DOI: 10.7270/Q2VD723B
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50157741 (CHEMBL374508 | E-64 | E64) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@@H]-1-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7] |r| Show InChI InChI=1S/C15H27N5O5/c1-8(2)7-9(20-13(22)10-11(25-10)14(23)24)12(21)18-5-3-4-6-19-15(16)17/h8-11H,3-7H2,1-2H3,(H,18,21)(H,20,22)(H,23,24)(H4,16,17,19)/t9-,10-,11-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Plasmodium falciparum recombinant falcipain 2 expressed in Escherichia coli using Z-Leu-Arg-AMC as substrate incubated for 30 min prior...				Citation and Details Article DOI: 10.1007/s00044-011-9854-3 BindingDB Entry DOI: 10.7270/Q2MC92XB
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50461247 (CHEMBL4228861) Show SMILES O=C(NC1(CC1)C#N)[C@H](Cc1cccnc1)NC(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C25H22N4O2/c26-17-25(12-13-25)29-24(31)22(15-18-5-4-14-27-16-18)28-23(30)21-10-8-20(9-11-21)19-6-2-1-3-7-19/h1-11,14,16,22H,12-13,15H2,(H,28,30)(H,29,31)/t22-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum falcipain-2				Bioorg Med Chem Lett 28: 1540-1544 (2018) Article DOI: 10.1016/j.bmcl.2018.03.069 BindingDB Entry DOI: 10.7270/Q2G44SW1
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50033659 (CHEMBL3358140) Show SMILES [O-]C(=O)C(F)(F)F.COC1=CC(=O)N(C1)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)[NH+](C)C |r,t:8| Show InChI InChI=1S/C29H49N5O6.C2HF3O2/c1-17(2)13-22(27(37)30-20(7)11-12-24(35)34-16-21(40-10)15-25(34)36)31-28(38)23(14-18(3)4)32-29(39)26(19(5)6)33(8)9;3-2(4,5)1(6)7/h11-12,15,17-20,22-23,26H,13-14,16H2,1-10H3,(H,30,37)(H,31,38)(H,32,39);(H,6,7)/b12-11+;/t20-,22-,23-,26-;/m0./s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum FP2 using Z-Phe-Arg-AMC as substrate incubated for 30 mins prior to substrate addition measured after 30 mins by ...				J Med Chem 57: 10557-63 (2014) Article DOI: 10.1021/jm501439w BindingDB Entry DOI: 10.7270/Q2TM7CQW
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50461268 (CHEMBL4225350) Show SMILES CN1CCN(Cc2ccc(s2)C(=O)N[C@@H](Cc2cccnc2)C(=O)NC2(CC2)C#N)CC1 |r| Show InChI InChI=1S/C23H28N6O2S/c1-28-9-11-29(12-10-28)15-18-4-5-20(32-18)22(31)26-19(13-17-3-2-8-25-14-17)21(30)27-23(16-24)6-7-23/h2-5,8,14,19H,6-7,9-13,15H2,1H3,(H,26,31)(H,27,30)/t19-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum falcipain-2				Bioorg Med Chem Lett 28: 1540-1544 (2018) Article DOI: 10.1016/j.bmcl.2018.03.069 BindingDB Entry DOI: 10.7270/Q2G44SW1
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50461248 (CHEMBL4227295) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)-c1ccccc1)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C23H25N3O2/c1-16(2)14-20(22(28)26-23(15-24)12-13-23)25-21(27)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11,16,20H,12-14H2,1-2H3,(H,25,27)(H,26,28)/t20-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum falcipain-2				Bioorg Med Chem Lett 28: 1540-1544 (2018) Article DOI: 10.1016/j.bmcl.2018.03.069 BindingDB Entry DOI: 10.7270/Q2G44SW1
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50513155 (CHEMBL4434685) Show SMILES OC(=O)C(F)(F)F.COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C1CCN(C)CC1 |r,t:8| Show InChI InChI=1S/C38H54N6O6.C2HF3O2/c1-23(2)18-30(42-38(49)31(19-24(3)4)41-36(47)26-14-16-43(6)17-15-26)37(48)40-25(5)12-13-34(45)44-32(33(50-7)21-35(44)46)20-27-22-39-29-11-9-8-10-28(27)29;3-2(4,5)1(6)7/h8-13,21-26,30-32,39H,14-20H2,1-7H3,(H,40,48)(H,41,47)(H,42,49);(H,6,7)/b13-12+;/t25-,30-,31-,32-;/m0./s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum N-terminal His6-tagged falcipain-2 (35 residues) expressed in Escherichia coli M15 pREP4 using Z-Lue-Arg-AMC as s...				J Med Chem 62: 5562-5578 (2019) Article DOI: 10.1021/acs.jmedchem.9b00504 BindingDB Entry DOI: 10.7270/Q2GQ722K
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50513162 (CHEMBL4467013) Show SMILES OC(=O)C(F)(F)F.COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1CCCCC1)NC(=O)C1CCN(C)CC1 |r,t:8| Show InChI InChI=1S/C41H58N6O6.C2HF3O2/c1-26(2)21-33(45-41(52)34(22-28-11-7-6-8-12-28)44-39(50)29-17-19-46(4)20-18-29)40(51)43-27(3)15-16-37(48)47-35(36(53-5)24-38(47)49)23-30-25-42-32-14-10-9-13-31(30)32;3-2(4,5)1(6)7/h9-10,13-16,24-29,33-35,42H,6-8,11-12,17-23H2,1-5H3,(H,43,51)(H,44,50)(H,45,52);(H,6,7)/b16-15+;/t27-,33-,34-,35-;/m0./s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum N-terminal His6-tagged falcipain-2 (35 residues) expressed in Escherichia coli M15 pREP4 using Z-Lue-Arg-AMC as s...				J Med Chem 62: 5562-5578 (2019) Article DOI: 10.1021/acs.jmedchem.9b00504 BindingDB Entry DOI: 10.7270/Q2GQ722K
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50513158 (CHEMBL4439637) Show SMILES OC(=O)C(F)(F)F.COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C |r,t:8| Show InChI InChI=1S/C45H62N6O6.C2HF3O2/c1-28(2)23-36(48-44(55)37(24-29(3)4)49-45(56)42(30(5)6)50(7)8)43(54)47-33(20-19-31-15-11-10-12-16-31)21-22-40(52)51-38(39(57-9)26-41(51)53)25-32-27-46-35-18-14-13-17-34(32)35;3-2(4,5)1(6)7/h10-18,21-22,26-30,33,36-38,42,46H,19-20,23-25H2,1-9H3,(H,47,54)(H,48,55)(H,49,56);(H,6,7)/b22-21+;/t33-,36-,37-,38-,42-;/m0./s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum N-terminal His6-tagged falcipain-2 (35 residues) expressed in Escherichia coli M15 pREP4 using Z-Lue-Arg-AMC as s...				J Med Chem 62: 5562-5578 (2019) Article DOI: 10.1021/acs.jmedchem.9b00504 BindingDB Entry DOI: 10.7270/Q2GQ722K
					More data for this Ligand-Target Pair
Falcipain-2 (Plasmodium falciparum)	BDBM50157741 (CHEMBL374508 | E-64 | E64) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@@H]-1-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7] |r| Show InChI InChI=1S/C15H27N5O5/c1-8(2)7-9(20-13(22)10-11(25-10)14(23)24)12(21)18-5-3-4-6-19-15(16)17/h8-11H,3-7H2,1-2H3,(H,18,21)(H,20,22)(H,23,24)(H4,16,17,19)/t9-,10-,11-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
University of Cape Town Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum falcipain-2				Bioorg Med Chem Lett 20: 942-4 (2010) Article DOI: 10.1016/j.bmcl.2009.12.062 BindingDB Entry DOI: 10.7270/Q26M383G
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50461273 (CHEMBL4227696) Show SMILES CN1CCN(Cc2ccc(s2)C(=O)N[C@@H](Cc2cccnc2)C(=O)NC2(CCS(=O)(=O)CC2)C#N)CC1 |r| Show InChI InChI=1S/C25H32N6O4S2/c1-30-9-11-31(12-10-30)17-20-4-5-22(36-20)24(33)28-21(15-19-3-2-8-27-16-19)23(32)29-25(18-26)6-13-37(34,35)14-7-25/h2-5,8,16,21H,6-7,9-15,17H2,1H3,(H,28,33)(H,29,32)/t21-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum falcipain-2				Bioorg Med Chem Lett 28: 1540-1544 (2018) Article DOI: 10.1016/j.bmcl.2018.03.069 BindingDB Entry DOI: 10.7270/Q2G44SW1
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50513163 (CHEMBL4442854) Show SMILES OC(=O)C(F)(F)F.COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](C(C)C)N(C)C |r,t:8| Show InChI InChI=1S/C42H56N6O6.C2HF3O2/c1-26(2)22-34(46-40(51)33(20-19-29-14-10-9-11-15-29)45-42(53)39(27(3)4)47(6)7)41(52)44-28(5)18-21-37(49)48-35(36(54-8)24-38(48)50)23-30-25-43-32-17-13-12-16-31(30)32;3-2(4,5)1(6)7/h9-18,21,24-28,33-35,39,43H,19-20,22-23H2,1-8H3,(H,44,52)(H,45,53)(H,46,51);(H,6,7)/b21-18+;/t28-,33-,34-,35-,39-;/m0./s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum N-terminal His6-tagged falcipain-2 (35 residues) expressed in Escherichia coli M15 pREP4 using Z-Lue-Arg-AMC as s...				J Med Chem 62: 5562-5578 (2019) Article DOI: 10.1021/acs.jmedchem.9b00504 BindingDB Entry DOI: 10.7270/Q2GQ722K
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50461256 (CHEMBL4228143) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(CN2CCN(C)CC2)cc1)C(=O)NC1(CCS(=O)(=O)CC1)C#N |r| Show InChI InChI=1S/C25H37N5O4S/c1-19(2)16-22(24(32)28-25(18-26)8-14-35(33,34)15-9-25)27-23(31)21-6-4-20(5-7-21)17-30-12-10-29(3)11-13-30/h4-7,19,22H,8-17H2,1-3H3,(H,27,31)(H,28,32)/t22-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum falcipain-2				Bioorg Med Chem Lett 28: 1540-1544 (2018) Article DOI: 10.1016/j.bmcl.2018.03.069 BindingDB Entry DOI: 10.7270/Q2G44SW1
					More data for this Ligand-Target Pair
Falcipain-2 (Plasmodium falciparum)	BDBM12042 ((2R,3R)-3-{[(1S)-1-[(4-carbamimidamidobutyl)carbam...) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#8]-[#6@H]-1-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7] |r| Show InChI InChI=1S/C15H27N5O5/c1-8(2)7-9(20-13(22)10-11(25-10)14(23)24)12(21)18-5-3-4-6-19-15(16)17/h8-11H,3-7H2,1-2H3,(H,18,21)(H,20,22)(H,23,24)(H4,16,17,19)/t9-,10+,11+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	5.5	22
Universidad Central de Venezuela					Assay Description The substrate peptide terminating in AMC is processed by falcipain-2 with or without inhibitors, and the accumulation of AMC was monitored in a Labsy...				J Med Chem 48: 3654-8 (2005) Article DOI: 10.1021/jm058208o BindingDB Entry DOI: 10.7270/Q2GF0RRD
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50513161 (CHEMBL4472824) Show SMILES OC(=O)C(F)(F)F.COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](C(C)C)N(C)C |r,t:8| Show InChI InChI=1S/C41H60N6O6.C2HF3O2/c1-25(2)20-32(44-40(51)33(21-28-14-10-9-11-15-28)45-41(52)38(26(3)4)46(6)7)39(50)43-27(5)18-19-36(48)47-34(35(53-8)23-37(47)49)22-29-24-42-31-17-13-12-16-30(29)31;3-2(4,5)1(6)7/h12-13,16-19,23-28,32-34,38,42H,9-11,14-15,20-22H2,1-8H3,(H,43,50)(H,44,51)(H,45,52);(H,6,7)/b19-18+;/t27-,32-,33-,34-,38-;/m0./s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum N-terminal His6-tagged falcipain-2 (35 residues) expressed in Escherichia coli M15 pREP4 using Z-Lue-Arg-AMC as s...				J Med Chem 62: 5562-5578 (2019) Article DOI: 10.1021/acs.jmedchem.9b00504 BindingDB Entry DOI: 10.7270/Q2GQ722K
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50513167 (CHEMBL4564002) Show SMILES OC(=O)C(F)(F)F.COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N(C)C |r,t:8| Show InChI InChI=1S/C41H54N6O6.C2HF3O2/c1-25(2)20-32(44-40(51)33(21-28-14-10-9-11-15-28)45-41(52)38(26(3)4)46(6)7)39(50)43-27(5)18-19-36(48)47-34(35(53-8)23-37(47)49)22-29-24-42-31-17-13-12-16-30(29)31;3-2(4,5)1(6)7/h9-19,23-27,32-34,38,42H,20-22H2,1-8H3,(H,43,50)(H,44,51)(H,45,52);(H,6,7)/b19-18+;/t27-,32-,33-,34-,38-;/m0./s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum N-terminal His6-tagged falcipain-2 (35 residues) expressed in Escherichia coli M15 pREP4 using Z-Lue-Arg-AMC as s...				J Med Chem 62: 5562-5578 (2019) Article DOI: 10.1021/acs.jmedchem.9b00504 BindingDB Entry DOI: 10.7270/Q2GQ722K
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM12042 ((2R,3R)-3-{[(1S)-1-[(4-carbamimidamidobutyl)carbam...) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#8]-[#6@H]-1-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7] |r| Show InChI InChI=1S/C15H27N5O5/c1-8(2)7-9(20-13(22)10-11(25-10)14(23)24)12(21)18-5-3-4-6-19-15(16)17/h8-11H,3-7H2,1-2H3,(H,18,21)(H,20,22)(H,23,24)(H4,16,17,19)/t9-,10+,11+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum N-terminal His6-tagged falcipain-2 (35 residues) expressed in Escherichia coli M15 pREP4 using Z-Lue-Arg-AMC as s...				J Med Chem 62: 5562-5578 (2019) Article DOI: 10.1021/acs.jmedchem.9b00504 BindingDB Entry DOI: 10.7270/Q2GQ722K
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50513156 (CHEMBL4442674) Show SMILES OC(=O)C(F)(F)F.COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C)C1CCCCC1 |r,t:8| Show InChI InChI=1S/C43H64N6O6.C2HF3O2/c1-26(2)21-34(46-42(53)35(22-27(3)4)47-43(54)40(28(5)6)48(7)8)41(52)45-32(29-15-11-10-12-16-29)19-20-38(50)49-36(37(55-9)24-39(49)51)23-30-25-44-33-18-14-13-17-31(30)33;3-2(4,5)1(6)7/h13-14,17-20,24-29,32,34-36,40,44H,10-12,15-16,21-23H2,1-9H3,(H,45,52)(H,46,53)(H,47,54);(H,6,7)/b20-19+;/t32-,34+,35+,36+,40+;/m1./s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum N-terminal His6-tagged falcipain-2 (35 residues) expressed in Escherichia coli M15 pREP4 using Z-Lue-Arg-AMC as s...				J Med Chem 62: 5562-5578 (2019) Article DOI: 10.1021/acs.jmedchem.9b00504 BindingDB Entry DOI: 10.7270/Q2GQ722K
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50258544 (CHEMBL4096388) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccc(cc1)[N+]([O-])=O)C(=O)N[C@@H](CCc1ccccc1)\C=C\C(C)=O |r| Show InChI InChI=1S/C27H33N3O6/c1-19(2)17-25(29-27(33)36-18-22-11-15-24(16-12-22)30(34)35)26(32)28-23(13-9-20(3)31)14-10-21-7-5-4-6-8-21/h4-9,11-13,15-16,19,23,25H,10,14,17-18H2,1-3H3,(H,28,32)(H,29,33)/b13-9+/t23-,25+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemical, Biological, Pharmaceutical and Environmental Sciences, University of Messina , Viale Annunziata, 98168 Messina, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant Plasmodium falciparum falcipain-2 expressed in Escherichia coli M15(pREP4) using Cbz-Phe-Arg-AMC as substrate by fluorescen...				J Med Chem 60: 6911-6923 (2017) Article DOI: 10.1021/acs.jmedchem.7b00405 BindingDB Entry DOI: 10.7270/Q2FJ2K73
					More data for this Ligand-Target Pair
Falcipain-2 (Plasmodium falciparum)	BDBM50157741 (CHEMBL374508 | E-64 | E64) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@@H]-1-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7] |r| Show InChI InChI=1S/C15H27N5O5/c1-8(2)7-9(20-13(22)10-11(25-10)14(23)24)12(21)18-5-3-4-6-19-15(16)17/h8-11H,3-7H2,1-2H3,(H,18,21)(H,20,22)(H,23,24)(H4,16,17,19)/t9-,10-,11-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	112	n/a	n/a	n/a	n/a	n/a	n/a
University of Lisbon Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum falcipain 2 incubated with compound for 10 mins before addition of 25 uM Z-Leu-Arg-AMC substrate by fluorescence ...				Eur J Med Chem 46: 927-33 (2011) Article DOI: 10.1016/j.ejmech.2011.01.008 BindingDB Entry DOI: 10.7270/Q2ZC8345
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50461252 (CHEMBL4224829) Show SMILES O=C(NC1(CC1)C#N)[C@H](Cc1cscn1)NC(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C23H20N4O2S/c24-14-23(10-11-23)27-22(29)20(12-19-13-30-15-25-19)26-21(28)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-9,13,15,20H,10-12H2,(H,26,28)(H,27,29)/t20-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	137	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum falcipain-2				Bioorg Med Chem Lett 28: 1540-1544 (2018) Article DOI: 10.1016/j.bmcl.2018.03.069 BindingDB Entry DOI: 10.7270/Q2G44SW1
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50456905 (CHEMBL2235031) Show SMILES C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Oc3ccc(\C=N\Nc4cc(C)nc5ccc(Cl)cc45)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 |r| Show InChI InChI=1S/C32H36ClN3O5/c1-18-5-11-26-20(3)29(38-30-32(26)25(18)13-14-31(4,39-30)40-41-32)37-23-9-6-21(7-10-23)17-34-36-28-15-19(2)35-27-12-8-22(33)16-24(27)28/h6-10,12,15-18,20,25-26,29-30H,5,11,13-14H2,1-4H3,(H,35,36)/b34-17+/t18-,20-,25+,26+,29+,30-,31-,32-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Hubei Engineering University Curated by ChEMBL					Assay Description Inhibition of recombinant Plasmodium falciparum falcipain-2 expressed in Escherichia coli using peptide substrate by fluorescence analysis				Eur J Med Chem 139: 22-47 (2017) Article DOI: 10.1016/j.ejmech.2017.07.061 BindingDB Entry DOI: 10.7270/Q2TX3HZ8
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50456905 (CHEMBL2235031) Show SMILES C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Oc3ccc(\C=N\Nc4cc(C)nc5ccc(Cl)cc45)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 |r| Show InChI InChI=1S/C32H36ClN3O5/c1-18-5-11-26-20(3)29(38-30-32(26)25(18)13-14-31(4,39-30)40-41-32)37-23-9-6-21(7-10-23)17-34-36-28-15-19(2)35-27-12-8-22(33)16-24(27)28/h6-10,12,15-18,20,25-26,29-30H,5,11,13-14H2,1-4H3,(H,35,36)/b34-17+/t18-,20-,25+,26+,29+,30-,31-,32-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Plasmodium falciparum recombinant falcipain 2 expressed in Escherichia coli using Z-Leu-Arg-AMC as substrate incubated for 30 min prior...				Citation and Details Article DOI: 10.1007/s00044-011-9854-3 BindingDB Entry DOI: 10.7270/Q2MC92XB
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50513166 (CHEMBL4527228) Show SMILES OC(=O)C(F)(F)F.COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)C1CCN(C)CC1 |r,t:8| Show InChI InChI=1S/C41H58N6O6.C2HF3O2/c1-26(2)21-33(44-39(50)29-17-19-46(4)20-18-29)41(52)45-34(22-28-11-7-6-8-12-28)40(51)43-27(3)15-16-37(48)47-35(36(53-5)24-38(47)49)23-30-25-42-32-14-10-9-13-31(30)32;3-2(4,5)1(6)7/h9-10,13-16,24-29,33-35,42H,6-8,11-12,17-23H2,1-5H3,(H,43,51)(H,44,50)(H,45,52);(H,6,7)/b16-15+;/t27-,33-,34-,35-;/m0./s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	156	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum N-terminal His6-tagged falcipain-2 (35 residues) expressed in Escherichia coli M15 pREP4 using Z-Lue-Arg-AMC as s...				J Med Chem 62: 5562-5578 (2019) Article DOI: 10.1021/acs.jmedchem.9b00504 BindingDB Entry DOI: 10.7270/Q2GQ722K
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50513159 (CHEMBL4516951) Show SMILES OC(=O)C(F)(F)F.COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](C(C)C)N(C)C)C1CCCCC1 |r,t:8| Show InChI InChI=1S/C46H68N6O6.C2HF3O2/c1-29(2)24-37(49-45(56)38(25-31-16-10-8-11-17-31)50-46(57)43(30(3)4)51(5)6)44(55)48-35(32-18-12-9-13-19-32)22-23-41(53)52-39(40(58-7)27-42(52)54)26-33-28-47-36-21-15-14-20-34(33)36;3-2(4,5)1(6)7/h14-15,20-23,27-32,35,37-39,43,47H,8-13,16-19,24-26H2,1-7H3,(H,48,55)(H,49,56)(H,50,57);(H,6,7)/b23-22+;/t35-,37+,38+,39+,43+;/m1./s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	169	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum N-terminal His6-tagged falcipain-2 (35 residues) expressed in Escherichia coli M15 pREP4 using Z-Lue-Arg-AMC as s...				J Med Chem 62: 5562-5578 (2019) Article DOI: 10.1021/acs.jmedchem.9b00504 BindingDB Entry DOI: 10.7270/Q2GQ722K
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50486819 (CHEMBL2235039) Show SMILES C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Oc3ccc(\C=N\Nc4cc(C)nc5cc(Cl)ccc45)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 |r| Show InChI InChI=1S/C32H36ClN3O5/c1-18-5-12-26-20(3)29(38-30-32(26)25(18)13-14-31(4,39-30)40-41-32)37-23-9-6-21(7-10-23)17-34-36-28-15-19(2)35-27-16-22(33)8-11-24(27)28/h6-11,15-18,20,25-26,29-30H,5,12-14H2,1-4H3,(H,35,36)/b34-17+/t18-,20-,25+,26+,29+,30-,31-,32-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Plasmodium falciparum recombinant falcipain 2 expressed in Escherichia coli using Z-Leu-Arg-AMC as substrate incubated for 30 min prior...				Citation and Details Article DOI: 10.1007/s00044-011-9854-3 BindingDB Entry DOI: 10.7270/Q2MC92XB
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50461257 (CHEMBL4228343) Show SMILES COc1ccc(CC(NC(=O)c2ccc(cc2)-c2ccccc2)C(=O)NC2(CC2)C#N)cn1 Show InChI InChI=1S/C26H24N4O3/c1-33-23-12-7-18(16-28-23)15-22(25(32)30-26(17-27)13-14-26)29-24(31)21-10-8-20(9-11-21)19-5-3-2-4-6-19/h2-12,16,22H,13-15H2,1H3,(H,29,31)(H,30,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	178	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum falcipain-2				Bioorg Med Chem Lett 28: 1540-1544 (2018) Article DOI: 10.1016/j.bmcl.2018.03.069 BindingDB Entry DOI: 10.7270/Q2G44SW1
					More data for this Ligand-Target Pair

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