Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with Target = 'Falcipain 2B'   

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 2B (Plasmodium falciparum)	BDBM50073850 ((S)-2-((S)-2-Benzyloxycarbonylamino-3-methyl-butyr...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C=O |r| Show InChI InChI=1S/C22H26N2O4/c1-16(2)20(24-22(27)28-15-18-11-7-4-8-12-18)21(26)23-19(14-25)13-17-9-5-3-6-10-17/h3-12,14,16,19-20H,13,15H2,1-2H3,(H,23,26)(H,24,27)/t19?,20-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant FP2B fused with maltose binding protein				J Med Chem 49: 3064-7 (2006) Article DOI: 10.1021/jm060405f BindingDB Entry DOI: 10.7270/Q2736RQM
					More data for this Ligand-Target Pair
Falcipain 2B (Plasmodium falciparum)	BDBM50187251 ((4-chlorophenyl)-carbamic acid 1-[(2-hydroxy-5-oxo...) Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2)C1=O)c1ccccc1 |c:20| Show InChI InChI=1S/C29H25ClN4O7/c30-18-10-12-19(13-11-18)31-29(39)40-16-22-27(37)34(15-24(35)32-21-14-25(36)41-28(21)38)23-9-5-4-8-20(23)26(33-22)17-6-2-1-3-7-17/h1-13,21-22,28,38H,14-16H2,(H,31,39)(H,32,35)/t21-,22+,28?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.53E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant FP2B fused with maltose binding protein				J Med Chem 49: 3064-7 (2006) Article DOI: 10.1021/jm060405f BindingDB Entry DOI: 10.7270/Q2736RQM
					More data for this Ligand-Target Pair
Falcipain 2B (Plasmodium falciparum)	BDBM50187250 ((4-chloro-2-methylphenyl)-carbamic acid 1-[(2-hydr...) Show SMILES Cc1cc(Cl)ccc1NC(=O)OC[C@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)N[C@H]2CC(=O)OC2O)C1=O |t:15| Show InChI InChI=1S/C30H27ClN4O7/c1-17-13-19(31)11-12-21(17)34-30(40)41-16-23-28(38)35(15-25(36)32-22-14-26(37)42-29(22)39)24-10-6-5-9-20(24)27(33-23)18-7-3-2-4-8-18/h2-13,22-23,29,39H,14-16H2,1H3,(H,32,36)(H,34,40)/t22-,23+,29?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant FP2B fused with maltose binding protein				J Med Chem 49: 3064-7 (2006) Article DOI: 10.1021/jm060405f BindingDB Entry DOI: 10.7270/Q2736RQM
					More data for this Ligand-Target Pair
Falcipain 2B (Plasmodium falciparum)	BDBM50187254 ((4-fluorophenyl)-carbamic acid 1-[(2-hydroxy-5-oxo...) Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(F)cc2)C1=O)c1ccccc1 |c:20| Show InChI InChI=1S/C29H25FN4O7/c30-18-10-12-19(13-11-18)31-29(39)40-16-22-27(37)34(15-24(35)32-21-14-25(36)41-28(21)38)23-9-5-4-8-20(23)26(33-22)17-6-2-1-3-7-17/h1-13,21-22,28,38H,14-16H2,(H,31,39)(H,32,35)/t21-,22+,28?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant FP2B fused with maltose binding protein				J Med Chem 49: 3064-7 (2006) Article DOI: 10.1021/jm060405f BindingDB Entry DOI: 10.7270/Q2736RQM
					More data for this Ligand-Target Pair
Falcipain 2B (Plasmodium falciparum)	BDBM50187255 (4-methoxyphenyl)-carbamic acid 1-[(2-hydroxy-5-oxo...) Show SMILES COc1ccc(NC(=O)OC[C@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)N[C@H]3CC(=O)OC3O)C2=O)cc1 |t:12| Show InChI InChI=1S/C30H28N4O8/c1-40-20-13-11-19(12-14-20)31-30(39)41-17-23-28(37)34(16-25(35)32-22-15-26(36)42-29(22)38)24-10-6-5-9-21(24)27(33-23)18-7-3-2-4-8-18/h2-14,22-23,29,38H,15-17H2,1H3,(H,31,39)(H,32,35)/t22-,23+,29?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant FP2B fused with maltose binding protein				J Med Chem 49: 3064-7 (2006) Article DOI: 10.1021/jm060405f BindingDB Entry DOI: 10.7270/Q2736RQM
					More data for this Ligand-Target Pair
Falcipain 2B (Plasmodium falciparum)	BDBM50187249 (1-[(2-hydroxy-5-oxo-tetrahydro-furan-3(S)-ylcarbam...) Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(F)cc2F)C1=O)c1ccccc1 |c:20| Show InChI InChI=1S/C29H24F2N4O7/c30-17-10-11-20(19(31)12-17)34-29(40)41-15-22-27(38)35(14-24(36)32-21-13-25(37)42-28(21)39)23-9-5-4-8-18(23)26(33-22)16-6-2-1-3-7-16/h1-12,21-22,28,39H,13-15H2,(H,32,36)(H,34,40)/t21-,22+,28?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant FP2B fused with maltose binding protein				J Med Chem 49: 3064-7 (2006) Article DOI: 10.1021/jm060405f BindingDB Entry DOI: 10.7270/Q2736RQM
					More data for this Ligand-Target Pair
Falcipain 2B (Plasmodium falciparum)	BDBM50187256 (CHEMBL377886 | naphth-1-yl-carbamic acid 1-[(2-hyd...) Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2cccc3ccccc23)C1=O)c1ccccc1 |c:20| Show InChI InChI=1S/C33H28N4O7/c38-28(34-25-17-29(39)44-32(25)41)18-37-27-16-7-6-14-23(27)30(21-10-2-1-3-11-21)35-26(31(37)40)19-43-33(42)36-24-15-8-12-20-9-4-5-13-22(20)24/h1-16,25-26,32,41H,17-19H2,(H,34,38)(H,36,42)/t25-,26+,32?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.79E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant FP2B fused with maltose binding protein				J Med Chem 49: 3064-7 (2006) Article DOI: 10.1021/jm060405f BindingDB Entry DOI: 10.7270/Q2736RQM
					More data for this Ligand-Target Pair
Falcipain 2B (Plasmodium falciparum)	BDBM50187257 ((4-chloro-2-trifluoromethylphenyl)-carbamic acid 1...) Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1c2ccccc2C(=N[C@@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1 |c:20| Show InChI InChI=1S/C30H24ClF3N4O7/c31-17-10-11-20(19(12-17)30(32,33)34)37-29(43)44-15-22-27(41)38(14-24(39)35-21-13-25(40)45-28(21)42)23-9-5-4-8-18(23)26(36-22)16-6-2-1-3-7-16/h1-12,21-22,28,42H,13-15H2,(H,35,39)(H,37,43)/t21-,22-,28?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.93E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant FP2B fused with maltose binding protein				J Med Chem 49: 3064-7 (2006) Article DOI: 10.1021/jm060405f BindingDB Entry DOI: 10.7270/Q2736RQM
					More data for this Ligand-Target Pair
Falcipain 2B (Plasmodium falciparum)	BDBM50187252 (CHEMBL377557 | phenyl-carbamic acid 1-[(2-hydroxy-...) Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccccc2)C1=O)c1ccccc1 |c:20| Show InChI InChI=1S/C29H26N4O7/c34-24(31-21-15-25(35)40-28(21)37)16-33-23-14-8-7-13-20(23)26(18-9-3-1-4-10-18)32-22(27(33)36)17-39-29(38)30-19-11-5-2-6-12-19/h1-14,21-22,28,37H,15-17H2,(H,30,38)(H,31,34)/t21-,22+,28?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant FP2B fused with maltose binding protein				J Med Chem 49: 3064-7 (2006) Article DOI: 10.1021/jm060405f BindingDB Entry DOI: 10.7270/Q2736RQM
					More data for this Ligand-Target Pair
Falcipain 2B (Plasmodium falciparum)	BDBM50187248 ((2-bromo-4,6-difluorophenyl)-carbamic acid 1-[(2-h...) Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2c(F)cc(F)cc2Br)C1=O)c1ccccc1 |c:20| Show InChI InChI=1S/C29H23BrF2N4O7/c30-18-10-16(31)11-19(32)26(18)35-29(41)42-14-21-27(39)36(13-23(37)33-20-12-24(38)43-28(20)40)22-9-5-4-8-17(22)25(34-21)15-6-2-1-3-7-15/h1-11,20-21,28,40H,12-14H2,(H,33,37)(H,35,41)/t20-,21+,28?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant FP2B fused with maltose binding protein				J Med Chem 49: 3064-7 (2006) Article DOI: 10.1021/jm060405f BindingDB Entry DOI: 10.7270/Q2736RQM
					More data for this Ligand-Target Pair
Falcipain 2B (Plasmodium falciparum)	BDBM50187253 (((3R)-1-(2-((3S)-2-hydroxy-5-oxotetrahydrofuran-3-...) Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1 |c:20| Show InChI InChI=1S/C30H24ClF3N4O7/c31-17-10-11-20(19(12-17)30(32,33)34)37-29(43)44-15-22-27(41)38(14-24(39)35-21-13-25(40)45-28(21)42)23-9-5-4-8-18(23)26(36-22)16-6-2-1-3-7-16/h1-12,21-22,28,42H,13-15H2,(H,35,39)(H,37,43)/t21-,22+,28?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.59E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant FP2B fused with maltose binding protein				J Med Chem 49: 3064-7 (2006) Article DOI: 10.1021/jm060405f BindingDB Entry DOI: 10.7270/Q2736RQM
					More data for this Ligand-Target Pair