Compile Data Set for Download or QSAR

Found 82 hits Enz. Inhib. hit(s) with Target = 'Cysteine proteinase falcipain 2a'   

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
Cysteine proteinase falcipain 2a (Plasmodium falciparum)	BDBM50578419 (CHEMBL4857262) Show SMILES [H][C@@]12CC[C@@H](C)[C@]3([H])CC[C@@]4(C)OO[C@@]13[C@]([H])(O[C@H](OC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](\C=C\P(=O)(OCC)OCC)c1ccccc1)[C@@H]2C)O4 |r| Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.49E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant Plasmodium falciparum falcipain-2 expressed in Escherichia coli M15 assessed as reduction in free AMC release using Z-FR-AM...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113454 BindingDB Entry DOI: 10.7270/Q25T3Q99
					More data for this Ligand-Target Pair
Cysteine proteinase falcipain 2a (Plasmodium falciparum)	BDBM50578421 (CHEMBL4850572) Show SMILES [H][C@]1(C[C@H](N(C1)C(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](\C=C\P(=O)(OCC)OCC)c1ccccc1)O[C@H]1O[C@]2([H])O[C@@]3(C)CC[C@@]4([H])[C@H](C)CC[C@@]([H])([C@H]1C)[C@@]24OO3 |r| Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant Plasmodium falciparum falcipain-2 expressed in Escherichia coli M15 assessed as reduction in free AMC release using Z-FR-AM...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113454 BindingDB Entry DOI: 10.7270/Q25T3Q99
					More data for this Ligand-Target Pair
Cysteine proteinase falcipain 2a (Plasmodium falciparum)	BDBM50578417 (CHEMBL4868442) Show SMILES [H][C@@]12CC[C@@H](C)[C@]3([H])CC[C@@]4(C)OO[C@@]13[C@]([H])(O[C@H](OC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](\C=C\P(=O)(OCC)OCC)c1ccccc1)[C@@H]2C)O4 |r| Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.78E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant Plasmodium falciparum falcipain-2 expressed in Escherichia coli M15 assessed as reduction in free AMC release using Z-FR-AM...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113454 BindingDB Entry DOI: 10.7270/Q25T3Q99
					More data for this Ligand-Target Pair
Cysteine proteinase falcipain 2a (Plasmodium falciparum)	BDBM50578406 (CHEMBL4869807) Show SMILES [H][C@@]12CC[C@@H](C)[C@]3([H])CC[C@@]4(C)OO[C@@]13[C@]([H])(O[C@H](OC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NC(\C=C\P(=O)(OCC)OCC)c1ccccc1)[C@@H]2C)O4 |r| Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.32E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant Plasmodium falciparum falcipain-2 expressed in Escherichia coli M15 assessed as reduction in free AMC release using Z-FR-AM...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113454 BindingDB Entry DOI: 10.7270/Q25T3Q99
					More data for this Ligand-Target Pair
Cysteine proteinase falcipain 2a (Plasmodium falciparum)	BDBM50578405 (CHEMBL4856045) Show SMILES [H][C@@]12CC[C@@H](C)[C@]3([H])CC[C@@]4(C)OO[C@@]13[C@]([H])(O[C@H](OC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(\C=C\P(=O)(OCC)OCC)c1ccccc1)[C@@H]2C)O4 |r| Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.49E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant Plasmodium falciparum falcipain-2 expressed in Escherichia coli M15 assessed as reduction in free AMC release using Z-FR-AM...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113454 BindingDB Entry DOI: 10.7270/Q25T3Q99
					More data for this Ligand-Target Pair
Cysteine proteinase falcipain 2a (Plasmodium falciparum)	BDBM50578408 (CHEMBL4857754) Show SMILES [H][C@]1(C[C@H](N(C1)C(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NC(\C=C\P(=O)(OCC)OCC)c1ccccc1)O[C@H]1O[C@]2([H])O[C@@]3(C)CC[C@@]4([H])[C@H](C)CC[C@@]([H])([C@H]1C)[C@@]24OO3 |r| Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.54E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant Plasmodium falciparum falcipain-2 expressed in Escherichia coli M15 assessed as reduction in free AMC release using Z-FR-AM...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113454 BindingDB Entry DOI: 10.7270/Q25T3Q99
					More data for this Ligand-Target Pair
Cysteine proteinase falcipain 2a (Plasmodium falciparum)	BDBM50578420 (CHEMBL4853187) Show SMILES [H][C@@]12CC[C@@H](C)[C@]3([H])CC[C@@]4(C)OO[C@@]13[C@]([H])(O[C@H](OC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](\C=C\P(=O)(OCC)OCC)c1ccccc1)[C@@H]2C)O4 |r| Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.91E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant Plasmodium falciparum falcipain-2 expressed in Escherichia coli M15 assessed as reduction in free AMC release using Z-FR-AM...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113454 BindingDB Entry DOI: 10.7270/Q25T3Q99
					More data for this Ligand-Target Pair
Cysteine proteinase falcipain 2a (Plasmodium falciparum)	BDBM50578418 (CHEMBL4871791) Show SMILES [H][C@@]12CC[C@@H](C)[C@]3([H])CC[C@@]4(C)OO[C@@]13[C@]([H])(O[C@H](OC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](\C=C\P(=O)(OCC)OCC)c1ccccc1)[C@@H]2C)O4 |r| Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.92E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant Plasmodium falciparum falcipain-2 expressed in Escherichia coli M15 assessed as reduction in free AMC release using Z-FR-AM...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113454 BindingDB Entry DOI: 10.7270/Q25T3Q99
					More data for this Ligand-Target Pair
Cysteine proteinase falcipain 2a (Plasmodium falciparum)	BDBM50463154 (CHEMBL4251480) Show SMILES CCOC(=O)\C=C\C(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C32H34N2O6/c1-2-39-30(36)21-20-29(35)27(19-18-24-12-6-3-7-13-24)33-31(37)28(22-25-14-8-4-9-15-25)34-32(38)40-23-26-16-10-5-11-17-26/h3-17,20-21,27-28H,2,18-19,22-23H2,1H3,(H,33,37)(H,34,38)/b21-20+/t27-,28-/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
Universitat Jaume I Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum falcipain-2 using Cbz-Phe-Arg-AMC as substrate measured for 15 mins by spectrofluorimetric method				Bioorg Med Chem 26: 4624-4634 (2018) Article DOI: 10.1016/j.bmc.2018.07.015 BindingDB Entry DOI: 10.7270/Q29S1TPM
					More data for this Ligand-Target Pair
Cysteine proteinase falcipain 2a (Plasmodium falciparum)	BDBM50448248 (CHEMBL3120847) Show SMILES OCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C24H28N2O6/c27-15-22(29)20(12-11-17-7-3-1-4-8-17)25-23(30)21-13-19(28)14-26(21)24(31)32-16-18-9-5-2-6-10-18/h1-10,19-21,27-28H,11-16H2,(H,25,30)/t19-,20+,21+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum cysteine protease falcipain-2				Bioorg Med Chem Lett 24: 1274-9 (2014) Article DOI: 10.1016/j.bmcl.2014.01.062 BindingDB Entry DOI: 10.7270/Q26Q1ZRJ
					More data for this Ligand-Target Pair
Cysteine proteinase falcipain 2a (Plasmodium falciparum)	BDBM50286441 ((S)-2-((S)-2-Acetylamino-4-(S)-methyl-pentanoylami...) Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C20H38N6O5/c1-11(2)9-15(24-13(5)27)17(28)26-16(10-12(3)4)18(29)25-14(19(30)31)7-6-8-23-20(21)22/h11-12,14-16H,6-10H2,1-5H3,(H,24,27)(H,25,29)(H,26,28)(H,30,31)(H4,21,22,23)/t14-,15-,16-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of Cysteine protease falcipain-2 in Plasmodium falciparum HB3 infected erythrocytes by Z-Phe-Arg-AMC substrate hydrolysis assay				Antimicrob Agents Chemother 52: 2346-54 (2008) Article DOI: 10.1128/AAC.00057-08 BindingDB Entry DOI: 10.7270/Q2WH2Q8W
					More data for this Ligand-Target Pair
Cysteine proteinase falcipain 2a (Plasmodium falciparum)	BDBM50286441 ((S)-2-((S)-2-Acetylamino-4-(S)-methyl-pentanoylami...) Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C20H38N6O5/c1-11(2)9-15(24-13(5)27)17(28)26-16(10-12(3)4)18(29)25-14(19(30)31)7-6-8-23-20(21)22/h11-12,14-16H,6-10H2,1-5H3,(H,24,27)(H,25,29)(H,26,28)(H,30,31)(H4,21,22,23)/t14-,15-,16-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of Cysteine protease falcipain-2 in Plasmodium falciparum HB3-leuR1 mutant infected erythrocytes by Z-Phe-Arg-AMC substrate hydrolysis ass...				Antimicrob Agents Chemother 52: 2346-54 (2008) Article DOI: 10.1128/AAC.00057-08 BindingDB Entry DOI: 10.7270/Q2WH2Q8W
					More data for this Ligand-Target Pair
Cysteine proteinase falcipain 2a (Plasmodium falciparum)	BDBM50463146 (CHEMBL4240920) Show SMILES CCOC(=O)\C=C\C(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C25H28N2O6/c1-3-32-23(29)15-14-22(28)18(2)26-24(30)21(16-19-10-6-4-7-11-19)27-25(31)33-17-20-12-8-5-9-13-20/h4-15,18,21H,3,16-17H2,1-2H3,(H,26,30)(H,27,31)/b15-14+/t18-,21-/m0/s1	PDB MMDB UniProtKB/TrEMBL 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
Universitat Jaume I Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum falcipain-2 using Cbz-Phe-Arg-AMC as substrate measured for 15 mins by spectrofluorimetric method				Bioorg Med Chem 26: 4624-4634 (2018) Article DOI: 10.1016/j.bmc.2018.07.015 BindingDB Entry DOI: 10.7270/Q29S1TPM
					More data for this Ligand-Target Pair
Cysteine proteinase falcipain 2a (Plasmodium falciparum)	BDBM50463143 (CHEMBL4245127) Show SMILES CCOC(=O)\C=C\C(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C29H36N2O6/c1-4-36-27(33)18-17-26(32)24(16-15-22-11-7-5-8-12-22)30-28(34)25(19-21(2)3)31-29(35)37-20-23-13-9-6-10-14-23/h5-14,17-18,21,24-25H,4,15-16,19-20H2,1-3H3,(H,30,34)(H,31,35)/b18-17+/t24-,25-/m0/s1	PDB MMDB UniProtKB/TrEMBL 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
Universitat Jaume I Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum falcipain-2 using Cbz-Phe-Arg-AMC as substrate measured for 15 mins by spectrofluorimetric method				Bioorg Med Chem 26: 4624-4634 (2018) Article DOI: 10.1016/j.bmc.2018.07.015 BindingDB Entry DOI: 10.7270/Q29S1TPM
					More data for this Ligand-Target Pair
Cysteine proteinase falcipain 2a (Plasmodium falciparum)	BDBM50448247 (CHEMBL3120848) Show SMILES O[C@@H]1C[C@H](N(C1)C(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CSCCCc1ccccc1 |r| Show InChI InChI=1S/C33H38N2O5S/c36-28-21-30(35(22-28)33(39)40-23-27-15-8-3-9-16-27)32(38)34-29(19-18-26-13-6-2-7-14-26)31(37)24-41-20-10-17-25-11-4-1-5-12-25/h1-9,11-16,28-30,36H,10,17-24H2,(H,34,38)/t28-,29+,30+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum cysteine protease falcipain-2				Bioorg Med Chem Lett 24: 1274-9 (2014) Article DOI: 10.1016/j.bmcl.2014.01.062 BindingDB Entry DOI: 10.7270/Q26Q1ZRJ
					More data for this Ligand-Target Pair
Cysteine proteinase falcipain 2a (Plasmodium falciparum)	BDBM50463149 (CHEMBL4248915) Show SMILES CCOC(=O)\C=C\C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C22H30N2O6/c1-5-29-20(26)12-11-19(25)16(4)23-21(27)18(13-15(2)3)24-22(28)30-14-17-9-7-6-8-10-17/h6-12,15-16,18H,5,13-14H2,1-4H3,(H,23,27)(H,24,28)/b12-11+/t16-,18-/m0/s1	PDB MMDB UniProtKB/TrEMBL 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
Universitat Jaume I Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum falcipain-2 using Cbz-Phe-Arg-AMC as substrate measured for 15 mins by spectrofluorimetric method				Bioorg Med Chem 26: 4624-4634 (2018) Article DOI: 10.1016/j.bmc.2018.07.015 BindingDB Entry DOI: 10.7270/Q29S1TPM
					More data for this Ligand-Target Pair
Cysteine proteinase falcipain 2a (Plasmodium falciparum)	BDBM50448253 (CHEMBL3120842) Show SMILES OCC(=O)[C@H](CCc1ccccc1)NC(=O)C1(CCSCC1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C25H30N2O5S/c28-17-22(29)21(12-11-19-7-3-1-4-8-19)26-23(30)25(13-15-33-16-14-25)27-24(31)32-18-20-9-5-2-6-10-20/h1-10,21,28H,11-18H2,(H,26,30)(H,27,31)/t21-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum cysteine protease falcipain-2				Bioorg Med Chem Lett 24: 1274-9 (2014) Article DOI: 10.1016/j.bmcl.2014.01.062 BindingDB Entry DOI: 10.7270/Q26Q1ZRJ
					More data for this Ligand-Target Pair
Cysteine proteinase falcipain 2a (Plasmodium falciparum)	BDBM50578419 (CHEMBL4857262) Show SMILES [H][C@@]12CC[C@@H](C)[C@]3([H])CC[C@@]4(C)OO[C@@]13[C@]([H])(O[C@H](OC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](\C=C\P(=O)(OCC)OCC)c1ccccc1)[C@@H]2C)O4 |r| Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.38E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant Plasmodium falciparum falcipain-2 expressed in Escherichia coli M15 assessed as reduction in free AMC release using Z-FR-AM...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113454 BindingDB Entry DOI: 10.7270/Q25T3Q99
					More data for this Ligand-Target Pair
Cysteine proteinase falcipain 2a (Plasmodium falciparum)	BDBM50578421 (CHEMBL4850572) Show SMILES [H][C@]1(C[C@H](N(C1)C(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](\C=C\P(=O)(OCC)OCC)c1ccccc1)O[C@H]1O[C@]2([H])O[C@@]3(C)CC[C@@]4([H])[C@H](C)CC[C@@]([H])([C@H]1C)[C@@]24OO3 |r| Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.53E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant Plasmodium falciparum falcipain-2 expressed in Escherichia coli M15 assessed as reduction in free AMC release using Z-FR-AM...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113454 BindingDB Entry DOI: 10.7270/Q25T3Q99
					More data for this Ligand-Target Pair
Cysteine proteinase falcipain 2a (Plasmodium falciparum)	BDBM50578417 (CHEMBL4868442) Show SMILES [H][C@@]12CC[C@@H](C)[C@]3([H])CC[C@@]4(C)OO[C@@]13[C@]([H])(O[C@H](OC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](\C=C\P(=O)(OCC)OCC)c1ccccc1)[C@@H]2C)O4 |r| Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant Plasmodium falciparum falcipain-2 expressed in Escherichia coli M15 assessed as reduction in free AMC release using Z-FR-AM...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113454 BindingDB Entry DOI: 10.7270/Q25T3Q99
					More data for this Ligand-Target Pair
Cysteine proteinase falcipain 2a (Plasmodium falciparum)	BDBM50448260 (CHEMBL3120835) Show SMILES OCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C26H32N2O5/c29-17-24(30)23(16-15-19-9-3-1-4-10-19)27-25(31)21-13-7-8-14-22(21)28-26(32)33-18-20-11-5-2-6-12-20/h1-6,9-12,21-23,29H,7-8,13-18H2,(H,27,31)(H,28,32)/t21-,22+,23-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.42E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum cysteine protease falcipain-2				Bioorg Med Chem Lett 24: 1274-9 (2014) Article DOI: 10.1016/j.bmcl.2014.01.062 BindingDB Entry DOI: 10.7270/Q26Q1ZRJ
					More data for this Ligand-Target Pair
Cysteine proteinase falcipain 2a (Plasmodium falciparum)	BDBM50452180 (CHEMBL4211317) Show SMILES Nc1nc(N)c2cc(NCc3ccc(CCNC(=O)CCc4ccccc4)cc3)ccc2n1 Show InChI InChI=1S/C26H28N6O/c27-25-22-16-21(11-12-23(22)31-26(28)32-25)30-17-20-8-6-19(7-9-20)14-15-29-24(33)13-10-18-4-2-1-3-5-18/h1-9,11-12,16,30H,10,13-15,17H2,(H,29,33)(H4,27,28,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum FP2 using Z-Leu-Arg-AMC as substrate preincubated for 30 min followed by substrate addition measured after 30 min...				Bioorg Med Chem 25: 6467-6478 (2017) Article DOI: 10.1016/j.bmc.2017.10.017 BindingDB Entry DOI: 10.7270/Q2D50QJX
					More data for this Ligand-Target Pair
Cysteine proteinase falcipain 2a (Plasmodium falciparum)	BDBM50452177 (CHEMBL4207961) Show SMILES Nc1nc(N)c2cc(NCc3ccc(CCNC(=O)c4ccc5OCOc5c4)cc3)ccc2n1 Show InChI InChI=1S/C25H24N6O3/c26-23-19-12-18(6-7-20(19)30-25(27)31-23)29-13-16-3-1-15(2-4-16)9-10-28-24(32)17-5-8-21-22(11-17)34-14-33-21/h1-8,11-12,29H,9-10,13-14H2,(H,28,32)(H4,26,27,30,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum FP2 using Z-Leu-Arg-AMC as substrate preincubated for 30 min followed by substrate addition measured after 30 min...				Bioorg Med Chem 25: 6467-6478 (2017) Article DOI: 10.1016/j.bmc.2017.10.017 BindingDB Entry DOI: 10.7270/Q2D50QJX
					More data for this Ligand-Target Pair
Cysteine proteinase falcipain 2a (Plasmodium falciparum)	BDBM50448261 (CHEMBL3120834) Show SMILES OCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C26H32N2O5/c29-17-24(30)23(16-15-19-9-3-1-4-10-19)27-25(31)21-13-7-8-14-22(21)28-26(32)33-18-20-11-5-2-6-12-20/h1-6,9-12,21-23,29H,7-8,13-18H2,(H,27,31)(H,28,32)/t21-,22+,23+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum cysteine protease falcipain-2				Bioorg Med Chem Lett 24: 1274-9 (2014) Article DOI: 10.1016/j.bmcl.2014.01.062 BindingDB Entry DOI: 10.7270/Q26Q1ZRJ
					More data for this Ligand-Target Pair
Cysteine proteinase falcipain 2a (Plasmodium falciparum)	BDBM50578406 (CHEMBL4869807) Show SMILES [H][C@@]12CC[C@@H](C)[C@]3([H])CC[C@@]4(C)OO[C@@]13[C@]([H])(O[C@H](OC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NC(\C=C\P(=O)(OCC)OCC)c1ccccc1)[C@@H]2C)O4 |r| Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant Plasmodium falciparum falcipain-2 expressed in Escherichia coli M15 assessed as reduction in free AMC release using Z-FR-AM...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113454 BindingDB Entry DOI: 10.7270/Q25T3Q99
					More data for this Ligand-Target Pair
Cysteine proteinase falcipain 2a (Plasmodium falciparum)	BDBM50578405 (CHEMBL4856045) Show SMILES [H][C@@]12CC[C@@H](C)[C@]3([H])CC[C@@]4(C)OO[C@@]13[C@]([H])(O[C@H](OC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(\C=C\P(=O)(OCC)OCC)c1ccccc1)[C@@H]2C)O4 |r| Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant Plasmodium falciparum falcipain-2 expressed in Escherichia coli M15 assessed as reduction in free AMC release using Z-FR-AM...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113454 BindingDB Entry DOI: 10.7270/Q25T3Q99
					More data for this Ligand-Target Pair
Cysteine proteinase falcipain 2a (Plasmodium falciparum)	BDBM50452178 (CHEMBL4218177) Show SMILES COc1cccc(c1)C(=O)NCCc1ccc(CNc2ccc3nc(N)nc(N)c3c2)cc1 Show InChI InChI=1S/C25H26N6O2/c1-33-20-4-2-3-18(13-20)24(32)28-12-11-16-5-7-17(8-6-16)15-29-19-9-10-22-21(14-19)23(26)31-25(27)30-22/h2-10,13-14,29H,11-12,15H2,1H3,(H,28,32)(H4,26,27,30,31)	PDB MMDB UniProtKB/TrEMBL 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
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum FP2 using Z-Leu-Arg-AMC as substrate preincubated for 30 min followed by substrate addition measured after 30 min...				Bioorg Med Chem 25: 6467-6478 (2017) Article DOI: 10.1016/j.bmc.2017.10.017 BindingDB Entry DOI: 10.7270/Q2D50QJX
					More data for this Ligand-Target Pair
Cysteine proteinase falcipain 2a (Plasmodium falciparum)	BDBM93124 (Trisubsituted thiazole, 14) Show SMILES OCCCc1sc(C=CC(=O)CSCCCc2ccccc2)nc1CCc1ccccc1 |w:7.6| Show InChI InChI=1S/C27H31NO2S2/c29-19-7-14-26-25(17-15-23-11-5-2-6-12-23)28-27(32-26)18-16-24(30)21-31-20-8-13-22-9-3-1-4-10-22/h1-6,9-12,16,18,29H,7-8,13-15,17,19-21H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University, Mississippi					Assay Description In vitro antimalarial assay, antimalarial activity of the compounds was determined in vitro on chloroquine sensitive and resistant strains of plasmod...				Medicinal Chemistry Research 14: 74-105 (2005) BindingDB Entry DOI: 10.7270/Q2959G5K
					More data for this Ligand-Target Pair
Cysteine proteinase falcipain 2a (Plasmodium falciparum)	BDBM50452175 (CHEMBL4218788) Show SMILES Nc1nc(N)c2cc(NCc3ccc(CCNC(=O)c4ccc(F)cc4)cc3)ccc2n1 Show InChI InChI=1S/C24H23FN6O/c25-18-7-5-17(6-8-18)23(32)28-12-11-15-1-3-16(4-2-15)14-29-19-9-10-21-20(13-19)22(26)31-24(27)30-21/h1-10,13,29H,11-12,14H2,(H,28,32)(H4,26,27,30,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum FP2 using Z-Leu-Arg-AMC as substrate preincubated for 30 min followed by substrate addition measured after 30 min...				Bioorg Med Chem 25: 6467-6478 (2017) Article DOI: 10.1016/j.bmc.2017.10.017 BindingDB Entry DOI: 10.7270/Q2D50QJX
					More data for this Ligand-Target Pair
Cysteine proteinase falcipain 2a (Plasmodium falciparum)	BDBM50550962 (CHEMBL4786898) Show SMILES Nc1ncc(NCc2ccc(CCNC(=O)c3ccc(F)cc3)cc2)c(N)n1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Plasmodium falciparum FP-2				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111983 BindingDB Entry DOI: 10.7270/Q27M0CK5
					More data for this Ligand-Target Pair
Cysteine proteinase falcipain 2a (Plasmodium falciparum)	BDBM50452173 (CHEMBL1939368) Show SMILES CCc1nnc(NC(=O)CCc2ccc(cc2)S(=O)(=O)Nc2ccc(F)cc2)s1 Show InChI InChI=1S/C19H19FN4O3S2/c1-2-18-22-23-19(28-18)21-17(25)12-5-13-3-10-16(11-4-13)29(26,27)24-15-8-6-14(20)7-9-15/h3-4,6-11,24H,2,5,12H2,1H3,(H,21,23,25)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum FP2				Bioorg Med Chem 25: 6467-6478 (2017) Article DOI: 10.1016/j.bmc.2017.10.017 BindingDB Entry DOI: 10.7270/Q2D50QJX
					More data for this Ligand-Target Pair
Cysteine proteinase falcipain 2a (Plasmodium falciparum)	BDBM50452173 (CHEMBL1939368) Show SMILES CCc1nnc(NC(=O)CCc2ccc(cc2)S(=O)(=O)Nc2ccc(F)cc2)s1 Show InChI InChI=1S/C19H19FN4O3S2/c1-2-18-22-23-19(28-18)21-17(25)12-5-13-3-10-16(11-4-13)29(26,27)24-15-8-6-14(20)7-9-15/h3-4,6-11,24H,2,5,12H2,1H3,(H,21,23,25)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum FP2 using Z-Leu-Arg-AMC as substrate preincubated for 30 min followed by substrate addition measured after 30 min...				Bioorg Med Chem 25: 6467-6478 (2017) Article DOI: 10.1016/j.bmc.2017.10.017 BindingDB Entry DOI: 10.7270/Q2D50QJX
					More data for this Ligand-Target Pair
Cysteine proteinase falcipain 2a (Plasmodium falciparum)	BDBM50452174 (CHEMBL4211543) Show SMILES CC(C)(C)C1CCC(CC1)C(=O)NCCc1ccc(CNc2ccc3nc(N)nc(N)c3c2)cc1 |(84.35,-2.13,;83.02,-1.37,;83.01,.18,;84.34,-.58,;81.68,-2.14,;81.69,-3.68,;80.36,-4.45,;79.03,-3.69,;79.01,-2.15,;80.35,-1.38,;77.7,-4.47,;77.71,-6.01,;76.36,-3.71,;75.04,-4.49,;73.7,-3.73,;72.37,-4.51,;72.38,-6.05,;71.05,-6.83,;69.71,-6.06,;68.39,-6.84,;67.05,-6.08,;65.72,-6.86,;65.73,-8.41,;64.39,-9.18,;63.06,-8.41,;61.72,-9.19,;60.39,-8.42,;59.06,-9.19,;60.39,-6.88,;61.72,-6.11,;61.72,-4.57,;63.06,-6.87,;64.38,-6.1,;69.7,-4.53,;71.02,-3.75,)| Show InChI InChI=1S/C28H38N6O/c1-28(2,3)21-10-8-20(9-11-21)26(35)31-15-14-18-4-6-19(7-5-18)17-32-22-12-13-24-23(16-22)25(29)34-27(30)33-24/h4-7,12-13,16,20-21,32H,8-11,14-15,17H2,1-3H3,(H,31,35)(H4,29,30,33,34)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum FP2 using Z-Leu-Arg-AMC as substrate preincubated for 30 min followed by substrate addition measured after 30 min...				Bioorg Med Chem 25: 6467-6478 (2017) Article DOI: 10.1016/j.bmc.2017.10.017 BindingDB Entry DOI: 10.7270/Q2D50QJX
					More data for this Ligand-Target Pair
Cysteine proteinase falcipain 2a (Plasmodium falciparum)	BDBM50452171 (CHEMBL4203015) Show SMILES Nc1nc(N)c2cc(NCc3ccc(CCNC(=O)Cc4ccccc4)cc3)ccc2n1 Show InChI InChI=1S/C25H26N6O/c26-24-21-15-20(10-11-22(21)30-25(27)31-24)29-16-19-8-6-17(7-9-19)12-13-28-23(32)14-18-4-2-1-3-5-18/h1-11,15,29H,12-14,16H2,(H,28,32)(H4,26,27,30,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum FP2 using Z-Leu-Arg-AMC as substrate preincubated for 30 min followed by substrate addition measured after 30 min...				Bioorg Med Chem 25: 6467-6478 (2017) Article DOI: 10.1016/j.bmc.2017.10.017 BindingDB Entry DOI: 10.7270/Q2D50QJX
					More data for this Ligand-Target Pair
Cysteine proteinase falcipain 2a (Plasmodium falciparum)	BDBM50578408 (CHEMBL4857754) Show SMILES [H][C@]1(C[C@H](N(C1)C(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NC(\C=C\P(=O)(OCC)OCC)c1ccccc1)O[C@H]1O[C@]2([H])O[C@@]3(C)CC[C@@]4([H])[C@H](C)CC[C@@]([H])([C@H]1C)[C@@]24OO3 |r| Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.67E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant Plasmodium falciparum falcipain-2 expressed in Escherichia coli M15 assessed as reduction in free AMC release using Z-FR-AM...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113454 BindingDB Entry DOI: 10.7270/Q25T3Q99
					More data for this Ligand-Target Pair
Cysteine proteinase falcipain 2a (Plasmodium falciparum)	BDBM50452170 (CHEMBL4212687) Show SMILES Nc1nc(N)c2cc(NCc3ccc(CCNC(=O)C4CCCCC4)cc3)ccc2n1 Show InChI InChI=1S/C24H30N6O/c25-22-20-14-19(10-11-21(20)29-24(26)30-22)28-15-17-8-6-16(7-9-17)12-13-27-23(31)18-4-2-1-3-5-18/h6-11,14,18,28H,1-5,12-13,15H2,(H,27,31)(H4,25,26,29,30)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum FP2 using Z-Leu-Arg-AMC as substrate preincubated for 30 min followed by substrate addition measured after 30 min...				Bioorg Med Chem 25: 6467-6478 (2017) Article DOI: 10.1016/j.bmc.2017.10.017 BindingDB Entry DOI: 10.7270/Q2D50QJX
					More data for this Ligand-Target Pair
Cysteine proteinase falcipain 2a (Plasmodium falciparum)	BDBM50452194 (CHEMBL4209200) Show SMILES Nc1nc(N)c2cc(NCc3ccc(CCNC(=O)c4ccc(Cl)cc4F)cc3)ccc2n1 Show InChI InChI=1S/C24H22ClFN6O/c25-16-5-7-18(20(26)11-16)23(33)29-10-9-14-1-3-15(4-2-14)13-30-17-6-8-21-19(12-17)22(27)32-24(28)31-21/h1-8,11-12,30H,9-10,13H2,(H,29,33)(H4,27,28,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum FP2 using Z-Leu-Arg-AMC as substrate preincubated for 30 min followed by substrate addition measured after 30 min...				Bioorg Med Chem 25: 6467-6478 (2017) Article DOI: 10.1016/j.bmc.2017.10.017 BindingDB Entry DOI: 10.7270/Q2D50QJX
					More data for this Ligand-Target Pair
Cysteine proteinase falcipain 2a (Plasmodium falciparum)	BDBM50578420 (CHEMBL4853187) Show SMILES [H][C@@]12CC[C@@H](C)[C@]3([H])CC[C@@]4(C)OO[C@@]13[C@]([H])(O[C@H](OC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](\C=C\P(=O)(OCC)OCC)c1ccccc1)[C@@H]2C)O4 |r| Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.38E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant Plasmodium falciparum falcipain-2 expressed in Escherichia coli M15 assessed as reduction in free AMC release using Z-FR-AM...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113454 BindingDB Entry DOI: 10.7270/Q25T3Q99
					More data for this Ligand-Target Pair
Cysteine proteinase falcipain 2a (Plasmodium falciparum)	BDBM50452176 (CHEMBL4213904) Show SMILES Nc1nc(N)c2cc(NCc3ccc(CCNC(=O)c4ccc(cc4)[N+]([O-])=O)cc3)ccc2n1 Show InChI InChI=1S/C24H23N7O3/c25-22-20-13-18(7-10-21(20)29-24(26)30-22)28-14-16-3-1-15(2-4-16)11-12-27-23(32)17-5-8-19(9-6-17)31(33)34/h1-10,13,28H,11-12,14H2,(H,27,32)(H4,25,26,29,30)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum FP2 using Z-Leu-Arg-AMC as substrate preincubated for 30 min followed by substrate addition measured after 30 min...				Bioorg Med Chem 25: 6467-6478 (2017) Article DOI: 10.1016/j.bmc.2017.10.017 BindingDB Entry DOI: 10.7270/Q2D50QJX
					More data for this Ligand-Target Pair
Cysteine proteinase falcipain 2a (Plasmodium falciparum)	BDBM50578422 (CHEMBL4845812) Show SMILES [H][C@]1(C[C@H](N(C1)C(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](\C=C\P(=O)(OCC)OCC)c1ccccc1)O[C@H]1O[C@]2([H])O[C@@]3(C)CC[C@@]4([H])[C@H](C)CC[C@@]([H])([C@H]1C)[C@@]24OO3 |r| Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant Plasmodium falciparum falcipain-2 expressed in Escherichia coli M15 assessed as reduction in free AMC release using Z-FR-AM...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113454 BindingDB Entry DOI: 10.7270/Q25T3Q99
					More data for this Ligand-Target Pair
Cysteine proteinase falcipain 2a (Plasmodium falciparum)	BDBM50452179 (CHEMBL4209486) Show SMILES Nc1nc(N)c2cc(NCc3ccc(CCNC(=O)c4cccs4)cc3)ccc2n1 Show InChI InChI=1S/C22H22N6OS/c23-20-17-12-16(7-8-18(17)27-22(24)28-20)26-13-15-5-3-14(4-6-15)9-10-25-21(29)19-2-1-11-30-19/h1-8,11-12,26H,9-10,13H2,(H,25,29)(H4,23,24,27,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum FP2 using Z-Leu-Arg-AMC as substrate preincubated for 30 min followed by substrate addition measured after 30 min...				Bioorg Med Chem 25: 6467-6478 (2017) Article DOI: 10.1016/j.bmc.2017.10.017 BindingDB Entry DOI: 10.7270/Q2D50QJX
					More data for this Ligand-Target Pair
Cysteine proteinase falcipain 2a (Plasmodium falciparum)	BDBM93130 (Trisubsituted thiazole, 29) Show SMILES OCc1nc(CCC(=O)CSCCCc2ccccc2)sc1CCc1ccccc1 Show InChI InChI=1S/C25H29NO2S2/c27-18-23-24(15-13-21-10-5-2-6-11-21)30-25(26-23)16-14-22(28)19-29-17-7-12-20-8-3-1-4-9-20/h1-6,8-11,27H,7,12-19H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	>1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
University, Mississippi					Assay Description In vitro antimalarial assay, antimalarial activity of the compounds was determined in vitro on chloroquine sensitive and resistant strains of plasmod...				Medicinal Chemistry Research 14: 74-105 (2005) BindingDB Entry DOI: 10.7270/Q2959G5K
					More data for this Ligand-Target Pair
Cysteine proteinase falcipain 2a (Plasmodium falciparum)	BDBM93125 (Trisubsituted thiazole, 15) Show SMILES OCCCc1sc(CCC(=O)CSCCCc2ccccc2)nc1CCc1ccccc1 Show InChI InChI=1S/C27H33NO2S2/c29-19-7-14-26-25(17-15-23-11-5-2-6-12-23)28-27(32-26)18-16-24(30)21-31-20-8-13-22-9-3-1-4-10-22/h1-6,9-12,29H,7-8,13-21H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	>1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
University, Mississippi					Assay Description In vitro antimalarial assay, antimalarial activity of the compounds was determined in vitro on chloroquine sensitive and resistant strains of plasmod...				Medicinal Chemistry Research 14: 74-105 (2005) BindingDB Entry DOI: 10.7270/Q2959G5K
					More data for this Ligand-Target Pair
Cysteine proteinase falcipain 2a (Plasmodium falciparum)	BDBM50578418 (CHEMBL4871791) Show SMILES [H][C@@]12CC[C@@H](C)[C@]3([H])CC[C@@]4(C)OO[C@@]13[C@]([H])(O[C@H](OC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](\C=C\P(=O)(OCC)OCC)c1ccccc1)[C@@H]2C)O4 |r| Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant Plasmodium falciparum falcipain-2 expressed in Escherichia coli M15 assessed as reduction in free AMC release using Z-FR-AM...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113454 BindingDB Entry DOI: 10.7270/Q25T3Q99
					More data for this Ligand-Target Pair
Cysteine proteinase falcipain 2a (Plasmodium falciparum)	BDBM93129 (Trisubsituted thiazole, 23) Show SMILES NC(=O)CCc1sc(NC(=O)CSCCCc2ccccc2)nc1\C=C\c1ccccc1 Show InChI InChI=1S/C25H27N3O2S2/c26-23(29)16-15-22-21(14-13-20-10-5-2-6-11-20)27-25(32-22)28-24(30)18-31-17-7-12-19-8-3-1-4-9-19/h1-6,8-11,13-14H,7,12,15-18H2,(H2,26,29)(H,27,28,30)/b14-13+	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.53E+4	n/a	n/a	n/a	n/a	n/a	n/a
University, Mississippi					Assay Description In vitro antimalarial assay, antimalarial activity of the compounds was determined in vitro on chloroquine sensitive and resistant strains of plasmod...				Medicinal Chemistry Research 14: 74-105 (2005) BindingDB Entry DOI: 10.7270/Q2959G5K
					More data for this Ligand-Target Pair
Cysteine proteinase falcipain 2a (Plasmodium falciparum)	BDBM50578410 (CHEMBL4859406) Show SMILES CCOP(=O)(OCC)\C=C\C(N)c1ccccc1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant Plasmodium falciparum falcipain-2 expressed in Escherichia coli M15 assessed as reduction in free AMC release using Z-FR-AM...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113454 BindingDB Entry DOI: 10.7270/Q25T3Q99
					More data for this Ligand-Target Pair
Cysteine proteinase falcipain 2a (Plasmodium falciparum)	BDBM50463150 (CHEMBL4246909) Show SMILES CCOC(=O)\C=C\[C@@H](O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C25H30N2O6/c1-3-32-23(29)15-14-22(28)18(2)26-24(30)21(16-19-10-6-4-7-11-19)27-25(31)33-17-20-12-8-5-9-13-20/h4-15,18,21-22,28H,3,16-17H2,1-2H3,(H,26,30)(H,27,31)/b15-14+/t18-,21-,22+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.68E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Jaume I Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum falcipain-2 using Cbz-Phe-Arg-AMC as substrate measured for 15 mins by spectrofluorimetric method				Bioorg Med Chem 26: 4624-4634 (2018) Article DOI: 10.1016/j.bmc.2018.07.015 BindingDB Entry DOI: 10.7270/Q29S1TPM
					More data for this Ligand-Target Pair
Cysteine proteinase falcipain 2a (Plasmodium falciparum)	BDBM50448252 (CHEMBL3120843) Show SMILES CC(=O)OCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C31H34N2O6/c1-23(34)38-22-29(35)27(19-17-24-11-5-2-6-12-24)32-30(36)28(20-18-25-13-7-3-8-14-25)33-31(37)39-21-26-15-9-4-10-16-26/h2-16,27-28H,17-22H2,1H3,(H,32,36)(H,33,37)/t27-,28-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.97E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum cysteine protease falcipain-2				Bioorg Med Chem Lett 24: 1274-9 (2014) Article DOI: 10.1016/j.bmcl.2014.01.062 BindingDB Entry DOI: 10.7270/Q26Q1ZRJ
					More data for this Ligand-Target Pair
Cysteine proteinase falcipain 2a (Plasmodium falciparum)	BDBM50448251 (CHEMBL3120844) Show SMILES OCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C29H32N2O5/c32-20-27(33)25(18-16-22-10-4-1-5-11-22)30-28(34)26(19-17-23-12-6-2-7-13-23)31-29(35)36-21-24-14-8-3-9-15-24/h1-15,25-26,32H,16-21H2,(H,30,34)(H,31,35)/t25-,26-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum cysteine protease falcipain-2				Bioorg Med Chem Lett 24: 1274-9 (2014) Article DOI: 10.1016/j.bmcl.2014.01.062 BindingDB Entry DOI: 10.7270/Q26Q1ZRJ
					More data for this Ligand-Target Pair
Cysteine proteinase falcipain 2a (Plasmodium falciparum)	BDBM93128 (Trisubsituted thiazole, 20) Show SMILES CC(=O)NCCCc1sc(CCC(=O)CSCCCc2ccccc2)nc1CCc1ccccc1 Show InChI InChI=1S/C29H36N2O2S2/c1-23(32)30-20-8-15-28-27(18-16-25-12-6-3-7-13-25)31-29(35-28)19-17-26(33)22-34-21-9-14-24-10-4-2-5-11-24/h2-7,10-13H,8-9,14-22H2,1H3,(H,30,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	>3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
University, Mississippi					Assay Description In vitro antimalarial assay, antimalarial activity of the compounds was determined in vitro on chloroquine sensitive and resistant strains of plasmod...				Medicinal Chemistry Research 14: 74-105 (2005) BindingDB Entry DOI: 10.7270/Q2959G5K
					More data for this Ligand-Target Pair

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