Compile Data Set for Download or QSAR

Found 23 hits Enz. Inhib. hit(s) with all data for entry = 50045678   

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
Falcipain 2 (Plasmodium falciparum)	BDBM50074428 (CHEMBL3409895) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)N1CCCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN=C1COc1ccc(F)cc1 |r,c:44| Show InChI InChI=1S/C39H52FN7O5/c1-25(2)20-32(43-37(49)33(21-26(3)4)45-39(51)46-17-8-5-9-18-46)36(48)44-34(22-27-23-42-31-11-7-6-10-30(27)31)38(50)47-19-16-41-35(47)24-52-29-14-12-28(40)13-15-29/h6-7,10-15,23,25-26,32-34,42H,5,8-9,16-22,24H2,1-4H3,(H,43,49)(H,44,48)(H,45,51)/t32-,33-,34-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant falcipain-2 using ZFR-AMC as substrate after 30 mins by fluorometric assay				Bioorg Med Chem 23: 2221-40 (2015) Article DOI: 10.1016/j.bmc.2015.02.062 BindingDB Entry DOI: 10.7270/Q25T3N64
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50074132 (CHEMBL3409913) Show SMILES COc1ccc(OC[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)N2CCCCC2)cc1 |r| Show InChI InChI=1S/C39H57N5O6/c1-27(2)23-33(40-37(46)34(24-28(3)4)42-39(48)43-20-10-7-11-21-43)36(45)41-35(25-29-13-8-6-9-14-29)38(47)44-22-12-15-30(44)26-50-32-18-16-31(49-5)17-19-32/h6,8-9,13-14,16-19,27-28,30,33-35H,7,10-12,15,20-26H2,1-5H3,(H,40,46)(H,41,45)(H,42,48)/t30-,33-,34-,35-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant falcipain-2 using ZFR-AMC as substrate after 30 mins by fluorometric assay				Bioorg Med Chem 23: 2221-40 (2015) Article DOI: 10.1016/j.bmc.2015.02.062 BindingDB Entry DOI: 10.7270/Q25T3N64
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50074133 (CHEMBL3409912) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)N1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1COc1ccc(F)cc1 |r| Show InChI InChI=1S/C37H52FN5O6/c1-25(2)21-31(39-35(45)32(22-26(3)4)41-37(47)42-17-19-48-20-18-42)34(44)40-33(23-27-9-6-5-7-10-27)36(46)43-16-8-11-29(43)24-49-30-14-12-28(38)13-15-30/h5-7,9-10,12-15,25-26,29,31-33H,8,11,16-24H2,1-4H3,(H,39,45)(H,40,44)(H,41,47)/t29-,31-,32-,33-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant falcipain-2 using ZFR-AMC as substrate after 30 mins by fluorometric assay				Bioorg Med Chem 23: 2221-40 (2015) Article DOI: 10.1016/j.bmc.2015.02.062 BindingDB Entry DOI: 10.7270/Q25T3N64
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50074144 (CHEMBL3409901) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)N1CCOCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1COc1ccc(F)cc1 |r| Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant falcipain-2 using ZFR-AMC as substrate after 30 mins by fluorometric assay				Bioorg Med Chem 23: 2221-40 (2015) Article DOI: 10.1016/j.bmc.2015.02.062 BindingDB Entry DOI: 10.7270/Q25T3N64
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50074143 (CHEMBL3409902) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)N1CCCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1COc1ccc(F)cc1 |r| Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant falcipain-2 using ZFR-AMC as substrate after 30 mins by fluorometric assay				Bioorg Med Chem 23: 2221-40 (2015) Article DOI: 10.1016/j.bmc.2015.02.062 BindingDB Entry DOI: 10.7270/Q25T3N64
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50074130 (CHEMBL3409915) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1ccco1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NNc1ccccc1 |r| Show InChI InChI=1S/C32H41N5O5/c1-21(2)18-25(33-30(39)26(19-22(3)4)35-32(41)28-16-11-17-42-28)29(38)34-27(20-23-12-7-5-8-13-23)31(40)37-36-24-14-9-6-10-15-24/h5-17,21-22,25-27,36H,18-20H2,1-4H3,(H,33,39)(H,34,38)(H,35,41)(H,37,40)/t25-,26-,27-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant falcipain-2 using ZFR-AMC as substrate after 30 mins by fluorometric assay				Bioorg Med Chem 23: 2221-40 (2015) Article DOI: 10.1016/j.bmc.2015.02.062 BindingDB Entry DOI: 10.7270/Q25T3N64
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50074131 (CHEMBL3409914) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)N1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NNc1ccccc1 |r| Show InChI InChI=1S/C33H48N6O4/c1-23(2)20-27(34-31(41)28(21-24(3)4)36-33(43)39-18-12-7-13-19-39)30(40)35-29(22-25-14-8-5-9-15-25)32(42)38-37-26-16-10-6-11-17-26/h5-6,8-11,14-17,23-24,27-29,37H,7,12-13,18-22H2,1-4H3,(H,34,41)(H,35,40)(H,36,43)(H,38,42)/t27-,28-,29-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant falcipain-2 using ZFR-AMC as substrate after 30 mins by fluorometric assay				Bioorg Med Chem 23: 2221-40 (2015) Article DOI: 10.1016/j.bmc.2015.02.062 BindingDB Entry DOI: 10.7270/Q25T3N64
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50074145 (CHEMBL3409900) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)N1CCCCC1)C(=O)N[C@H](C(=O)N1CCN=C1COc1ccc(F)cc1)c1ccccc1 |r,c:32| Show InChI InChI=1S/C36H49FN6O5/c1-24(2)21-29(39-33(44)30(22-25(3)4)40-36(47)42-18-9-6-10-19-42)34(45)41-32(26-11-7-5-8-12-26)35(46)43-20-17-38-31(43)23-48-28-15-13-27(37)14-16-28/h5,7-8,11-16,24-25,29-30,32H,6,9-10,17-23H2,1-4H3,(H,39,44)(H,40,47)(H,41,45)/t29-,30-,32-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant falcipain-2 using ZFR-AMC as substrate after 30 mins by fluorometric assay				Bioorg Med Chem 23: 2221-40 (2015) Article DOI: 10.1016/j.bmc.2015.02.062 BindingDB Entry DOI: 10.7270/Q25T3N64
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50074138 (CHEMBL3409907) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)N1CCOCC1)C(=O)N[C@H](C(=O)N1CCC[C@H]1COc1ccc(F)cc1)c1ccccc1 |r| Show InChI InChI=1S/C36H50FN5O6/c1-24(2)21-30(38-33(43)31(22-25(3)4)39-36(46)41-17-19-47-20-18-41)34(44)40-32(26-9-6-5-7-10-26)35(45)42-16-8-11-28(42)23-48-29-14-12-27(37)13-15-29/h5-7,9-10,12-15,24-25,28,30-32H,8,11,16-23H2,1-4H3,(H,38,43)(H,39,46)(H,40,44)/t28-,30-,31-,32-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant falcipain-2 using ZFR-AMC as substrate after 30 mins by fluorometric assay				Bioorg Med Chem 23: 2221-40 (2015) Article DOI: 10.1016/j.bmc.2015.02.062 BindingDB Entry DOI: 10.7270/Q25T3N64
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50074137 (CHEMBL3409908) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)N1CCCCC1)C(=O)N[C@H](C(=O)N1CCC[C@H]1COc1ccc(F)cc1)c1ccccc1 |r| Show InChI InChI=1S/C37H52FN5O5/c1-25(2)22-31(39-34(44)32(23-26(3)4)40-37(47)42-19-9-6-10-20-42)35(45)41-33(27-12-7-5-8-13-27)36(46)43-21-11-14-29(43)24-48-30-17-15-28(38)16-18-30/h5,7-8,12-13,15-18,25-26,29,31-33H,6,9-11,14,19-24H2,1-4H3,(H,39,44)(H,40,47)(H,41,45)/t29-,31-,32-,33-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant falcipain-2 using ZFR-AMC as substrate after 30 mins by fluorometric assay				Bioorg Med Chem 23: 2221-40 (2015) Article DOI: 10.1016/j.bmc.2015.02.062 BindingDB Entry DOI: 10.7270/Q25T3N64
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50074434 (CHEMBL3409894) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)N1CCOCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN=C1COc1ccc(F)cc1 |r,c:44| Show InChI InChI=1S/C38H50FN7O6/c1-24(2)19-31(42-36(48)32(20-25(3)4)44-38(50)45-15-17-51-18-16-45)35(47)43-33(21-26-22-41-30-8-6-5-7-29(26)30)37(49)46-14-13-40-34(46)23-52-28-11-9-27(39)10-12-28/h5-12,22,24-25,31-33,41H,13-21,23H2,1-4H3,(H,42,48)(H,43,47)(H,44,50)/t31-,32-,33-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant falcipain-2 using ZFR-AMC as substrate after 30 mins by fluorometric assay				Bioorg Med Chem 23: 2221-40 (2015) Article DOI: 10.1016/j.bmc.2015.02.062 BindingDB Entry DOI: 10.7270/Q25T3N64
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50074142 (CHEMBL3409903) Show SMILES CC(C)C[C@H](NC(=O)CN1CCC(O)CC1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1COc1ccc(F)cc1 |r| Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.53E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant falcipain-2 using ZFR-AMC as substrate after 30 mins by fluorometric assay				Bioorg Med Chem 23: 2221-40 (2015) Article DOI: 10.1016/j.bmc.2015.02.062 BindingDB Entry DOI: 10.7270/Q25T3N64
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50074141 (CHEMBL3409904) Show SMILES CC(C)C[C@H](NC(=O)CN1CCC(CCO)CC1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1COc1ccc(F)cc1 |r| Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.29E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant falcipain-2 using ZFR-AMC as substrate after 30 mins by fluorometric assay				Bioorg Med Chem 23: 2221-40 (2015) Article DOI: 10.1016/j.bmc.2015.02.062 BindingDB Entry DOI: 10.7270/Q25T3N64
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50074139 (CHEMBL3409906) Show SMILES COC(=O)C1CCN(CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC[C@H]2COc2ccc(F)cc2)CC1 |r| Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant falcipain-2 using ZFR-AMC as substrate after 30 mins by fluorometric assay				Bioorg Med Chem 23: 2221-40 (2015) Article DOI: 10.1016/j.bmc.2015.02.062 BindingDB Entry DOI: 10.7270/Q25T3N64
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50074326 (CHEMBL3409897) Show SMILES CC(C)C[C@H](NC(=O)CN1CCC(CCO)CC1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN=C1COc1ccc(F)cc1 |r,c:48| Show InChI InChI=1S/C42H58FN7O6/c1-27(2)21-35(46-39(52)25-49-17-13-29(14-18-49)15-20-51)40(53)47-36(22-28(3)4)41(54)48-37(23-30-24-45-34-8-6-5-7-33(30)34)42(55)50-19-16-44-38(50)26-56-32-11-9-31(43)10-12-32/h5-12,24,27-29,35-37,45,51H,13-23,25-26H2,1-4H3,(H,46,52)(H,47,53)(H,48,54)/t35-,36-,37-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant falcipain-2 using ZFR-AMC as substrate after 30 mins by fluorometric assay				Bioorg Med Chem 23: 2221-40 (2015) Article DOI: 10.1016/j.bmc.2015.02.062 BindingDB Entry DOI: 10.7270/Q25T3N64
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50074146 (CHEMBL3409899) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)N1CCOCC1)C(=O)N[C@H](C(=O)N1CCN=C1COc1ccc(F)cc1)c1ccccc1 |r,c:32| Show InChI InChI=1S/C35H47FN6O6/c1-23(2)20-28(38-32(43)29(21-24(3)4)39-35(46)41-16-18-47-19-17-41)33(44)40-31(25-8-6-5-7-9-25)34(45)42-15-14-37-30(42)22-48-27-12-10-26(36)11-13-27/h5-13,23-24,28-29,31H,14-22H2,1-4H3,(H,38,43)(H,39,46)(H,40,44)/t28-,29-,31-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant falcipain-2 using ZFR-AMC as substrate after 30 mins by fluorometric assay				Bioorg Med Chem 23: 2221-40 (2015) Article DOI: 10.1016/j.bmc.2015.02.062 BindingDB Entry DOI: 10.7270/Q25T3N64
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50074140 (CHEMBL3409905) Show SMILES CC(C)C[C@H](NC(=O)CN1CCN(C)CC1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1COc1ccc(F)cc1 |r| Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.49E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant falcipain-2 using ZFR-AMC as substrate after 30 mins by fluorometric assay				Bioorg Med Chem 23: 2221-40 (2015) Article DOI: 10.1016/j.bmc.2015.02.062 BindingDB Entry DOI: 10.7270/Q25T3N64
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50074129 (CHEMBL3410086) Show SMILES CC(C)C[C@H](NC(=O)N1CCOCC1)c1nc(co1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1COc1ccc(F)cc1 |r| Show InChI InChI=1S/C34H42FN5O6/c1-23(2)19-28(38-34(43)39-15-17-44-18-16-39)32-37-30(22-46-32)31(41)36-29(20-24-7-4-3-5-8-24)33(42)40-14-6-9-26(40)21-45-27-12-10-25(35)11-13-27/h3-5,7-8,10-13,22-23,26,28-29H,6,9,14-21H2,1-2H3,(H,36,41)(H,38,43)/t26-,28-,29-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant falcipain-2 using ZFR-AMC as substrate after 30 mins by fluorometric assay				Bioorg Med Chem 23: 2221-40 (2015) Article DOI: 10.1016/j.bmc.2015.02.062 BindingDB Entry DOI: 10.7270/Q25T3N64
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50074135 (CHEMBL3409910) Show SMILES CC(C)C[C@H](NC(=O)CN1CCN(C)CC1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N1CCC[C@H]1COc1ccc(F)cc1)c1ccccc1 |r| Show InChI InChI=1S/C38H55FN6O5/c1-26(2)22-32(40-34(46)24-44-20-18-43(5)19-21-44)36(47)41-33(23-27(3)4)37(48)42-35(28-10-7-6-8-11-28)38(49)45-17-9-12-30(45)25-50-31-15-13-29(39)14-16-31/h6-8,10-11,13-16,26-27,30,32-33,35H,9,12,17-25H2,1-5H3,(H,40,46)(H,41,47)(H,42,48)/t30-,32-,33-,35-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant falcipain-2 using ZFR-AMC as substrate after 30 mins by fluorometric assay				Bioorg Med Chem 23: 2221-40 (2015) Article DOI: 10.1016/j.bmc.2015.02.062 BindingDB Entry DOI: 10.7270/Q25T3N64
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50074136 (CHEMBL3409909) Show SMILES CC(C)C[C@H](NC(=O)CN1CCC(CCO)CC1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N1CCC[C@H]1COc1ccc(F)cc1)c1ccccc1 |r| Show InChI InChI=1S/C40H58FN5O6/c1-27(2)23-34(42-36(48)25-45-20-16-29(17-21-45)18-22-47)38(49)43-35(24-28(3)4)39(50)44-37(30-9-6-5-7-10-30)40(51)46-19-8-11-32(46)26-52-33-14-12-31(41)13-15-33/h5-7,9-10,12-15,27-29,32,34-35,37,47H,8,11,16-26H2,1-4H3,(H,42,48)(H,43,49)(H,44,50)/t32-,34-,35-,37-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant falcipain-2 using ZFR-AMC as substrate after 30 mins by fluorometric assay				Bioorg Med Chem 23: 2221-40 (2015) Article DOI: 10.1016/j.bmc.2015.02.062 BindingDB Entry DOI: 10.7270/Q25T3N64
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50074212 (CHEMBL3409898) Show SMILES CC(C)C[C@H](NC(=O)CN1CCN(C)CC1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN=C1COc1ccc(F)cc1 |r,c:46| Show InChI InChI=1S/C40H55FN8O5/c1-26(2)20-33(44-37(50)24-48-18-16-47(5)17-19-48)38(51)45-34(21-27(3)4)39(52)46-35(22-28-23-43-32-9-7-6-8-31(28)32)40(53)49-15-14-42-36(49)25-54-30-12-10-29(41)11-13-30/h6-13,23,26-27,33-35,43H,14-22,24-25H2,1-5H3,(H,44,50)(H,45,51)(H,46,52)/t33-,34-,35-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.06E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant falcipain-2 using ZFR-AMC as substrate after 30 mins by fluorometric assay				Bioorg Med Chem 23: 2221-40 (2015) Article DOI: 10.1016/j.bmc.2015.02.062 BindingDB Entry DOI: 10.7270/Q25T3N64
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50074327 (CHEMBL3409896) Show SMILES CC(C)C[C@H](NC(=O)CN1CCC(O)CC1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN=C1COc1ccc(F)cc1 |r,c:46| Show InChI InChI=1S/C40H54FN7O6/c1-25(2)19-33(44-37(50)23-47-16-13-29(49)14-17-47)38(51)45-34(20-26(3)4)39(52)46-35(21-27-22-43-32-8-6-5-7-31(27)32)40(53)48-18-15-42-36(48)24-54-30-11-9-28(41)10-12-30/h5-12,22,25-26,29,33-35,43,49H,13-21,23-24H2,1-4H3,(H,44,50)(H,45,51)(H,46,52)/t33-,34-,35-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.36E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant falcipain-2 using ZFR-AMC as substrate after 30 mins by fluorometric assay				Bioorg Med Chem 23: 2221-40 (2015) Article DOI: 10.1016/j.bmc.2015.02.062 BindingDB Entry DOI: 10.7270/Q25T3N64
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50074134 (CHEMBL3409911) Show SMILES COC(=O)C1CCN(CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N2CCC[C@H]2COc2ccc(F)cc2)c2ccccc2)CC1 |r| Show InChI InChI=1S/C40H56FN5O7/c1-26(2)22-33(42-35(47)24-45-20-17-29(18-21-45)40(51)52-5)37(48)43-34(23-27(3)4)38(49)44-36(28-10-7-6-8-11-28)39(50)46-19-9-12-31(46)25-53-32-15-13-30(41)14-16-32/h6-8,10-11,13-16,26-27,29,31,33-34,36H,9,12,17-25H2,1-5H3,(H,42,47)(H,43,48)(H,44,49)/t31-,33-,34-,36-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant falcipain-2 using ZFR-AMC as substrate after 30 mins by fluorometric assay				Bioorg Med Chem 23: 2221-40 (2015) Article DOI: 10.1016/j.bmc.2015.02.062 BindingDB Entry DOI: 10.7270/Q25T3N64
					More data for this Ligand-Target Pair