Compile Data Set for Download or QSAR

Found 43 hits Enz. Inhib. hit(s) with all data for entry = 50037674   

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 protease (Leishmania donovani)	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	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of Leishmania donovani cysteine protease				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)	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
Cysteine protease falcipain-3 [5-492] (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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of falcipain3				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)	BDBM50183375 (CHEMBL381093 | N2,N7-bis(furan-2-ylmethyl)-9H-fluo...) Show SMILES O=S(=O)(NCc1ccco1)c1ccc-2c(Cc3cc(ccc-23)S(=O)(=O)NCc2ccco2)c1 Show InChI InChI=1S/C23H20N2O6S2/c26-32(27,24-14-18-3-1-9-30-18)20-5-7-22-16(12-20)11-17-13-21(6-8-23(17)22)33(28,29)25-15-19-4-2-10-31-19/h1-10,12-13,24-25H,11,14-15H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+3	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)	BDBM50183403 (CHEMBL203801 | N'-(1-(2-(m-toluidino)-2-oxoethyl)-...) Show SMILES Cc1cccc(NC(=O)Cn2c(O)c(\N=N\C(=O)C(=O)NCc3ccccc3)c3ccccc23)c1 Show InChI InChI=1S/C26H23N5O4/c1-17-8-7-11-19(14-17)28-22(32)16-31-21-13-6-5-12-20(21)23(26(31)35)29-30-25(34)24(33)27-15-18-9-3-2-4-10-18/h2-14,35H,15-16H2,1H3,(H,27,33)(H,28,32)/b30-29+	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+3	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)	BDBM50183382 (5-Isoxazol-3-yl-thiophene-2-sulfonic acid (5-dimet...) Show SMILES CN(C)S(=O)(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(s2)-c2ccon2)c1 Show InChI InChI=1S/C16H17N3O5S3/c1-11-4-5-12(27(22,23)19(2)3)10-14(11)18-26(20,21)16-7-6-15(25-16)13-8-9-24-17-13/h4-10,18H,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90E+3	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)	BDBM50183386 (2-(2-(4-chlorophenylsulfonyl)ethylthio)-N-(4-(prop...) Show SMILES CCCS(=O)(=O)c1cscc1NC(=O)CSCCS(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C17H20ClNO5S4/c1-2-8-28(23,24)16-11-26-10-15(16)19-17(20)12-25-7-9-27(21,22)14-5-3-13(18)4-6-14/h3-6,10-11H,2,7-9,12H2,1H3,(H,19,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40E+3	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)	BDBM50183385 (CHEMBL203823 | N-(2-(furan-2-ylmethylthio)ethyl)-2...) Show SMILES CCCc1cc(=O)[nH]c(SCC(=O)NCCSCc2ccco2)n1 Show InChI InChI=1S/C16H21N3O3S2/c1-2-4-12-9-14(20)19-16(18-12)24-11-15(21)17-6-8-23-10-13-5-3-7-22-13/h3,5,7,9H,2,4,6,8,10-11H2,1H3,(H,17,21)(H,18,19,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.60E+3	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)	BDBM50183392 (4-(5-(5-(morpholinosulfonyl)thiophen-2-yl)thiophen...) Show SMILES O=S(=O)(N1CCOCC1)c1ccc(s1)-c1ccc(s1)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C16H20N2O6S4/c19-27(20,17-5-9-23-10-6-17)15-3-1-13(25-15)14-2-4-16(26-14)28(21,22)18-7-11-24-12-8-18/h1-4H,5-12H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40E+3	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)	BDBM50183376 ((N1',N6')-N1',N6'-bis(1-methyl-2-oxoindolin-3-ylid...) Show SMILES Cn1c(O)c(N=NC(=O)CCCCC(=O)N=Nc2c(O)n(C)c3ccccc23)c2ccccc12 |w:15.14,5.4| Show InChI InChI=1S/C24H24N6O4/c1-29-17-11-5-3-9-15(17)21(23(29)33)27-25-19(31)13-7-8-14-20(32)26-28-22-16-10-4-6-12-18(16)30(2)24(22)34/h3-6,9-12,33-34H,7-8,13-14H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.50E+3	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)	BDBM50183377 (CHEMBL383231 | methyl 3-[(3-{[2-(methoxycarbonyl)t...) Show SMILES COC(=O)c1sccc1NC(=O)CC(=O)Nc1ccsc1C(=O)OC Show InChI InChI=1S/C15H14N2O6S2/c1-22-14(20)12-8(3-5-24-12)16-10(18)7-11(19)17-9-4-6-25-13(9)15(21)23-2/h3-6H,7H2,1-2H3,(H,16,18)(H,17,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.04E+4	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)	BDBM50183404 (CHEMBL204035 | N'-((2-chloro-6-fluorobenzyloxyamin...) Show SMILES Fc1cccc(Cl)c1CON=CNNC(=O)Cn1nnc(n1)-c1ccccc1 |w:11.12| Show InChI InChI=1S/C17H15ClFN7O2/c18-14-7-4-8-15(19)13(14)10-28-21-11-20-22-16(27)9-26-24-17(23-25-26)12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,20,21)(H,22,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.08E+4	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
Cysteine protease falcipain-3 [5-492] (Plasmodium falciparum)	BDBM50183375 (CHEMBL381093 | N2,N7-bis(furan-2-ylmethyl)-9H-fluo...) Show SMILES O=S(=O)(NCc1ccco1)c1ccc-2c(Cc3cc(ccc-23)S(=O)(=O)NCc2ccco2)c1 Show InChI InChI=1S/C23H20N2O6S2/c26-32(27,24-14-18-3-1-9-30-18)20-5-7-22-16(12-20)11-17-13-21(6-8-23(17)22)33(28,29)25-15-19-4-2-10-31-19/h1-10,12-13,24-25H,11,14-15H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of falcipain3				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)	BDBM50183405 (4,6-dimethyl-N,N-bis(2-(phenylsulfonyl)ethyl)-1,3,...) Show SMILES Cc1nc(C)nc(n1)N(CCS(=O)(=O)c1ccccc1)CCS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C21H24N4O4S2/c1-17-22-18(2)24-21(23-17)25(13-15-30(26,27)19-9-5-3-6-10-19)14-16-31(28,29)20-11-7-4-8-12-20/h3-12H,13-16H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.32E+4	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)	BDBM50183397 (CHEMBL440764 | ethyl 2-(2-(furan-2-ylmethylamino)-...) Show SMILES CCOC(=O)c1c2cc(OCC(=O)NCc3ccco3)ccc2n2ccccc12 Show InChI InChI=1S/C22H20N2O5/c1-2-27-22(26)21-17-12-15(8-9-18(17)24-10-4-3-7-19(21)24)29-14-20(25)23-13-16-6-5-11-28-16/h3-12H,2,13-14H2,1H3,(H,23,25)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.38E+4	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)	BDBM50183402 (CHEMBL205056 | methyl 2-(2-(4-(4-chlorophenylsulfo...) Show SMILES COC(=O)c1ccsc1NC(=O)CN1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H20ClN3O5S2/c1-27-18(24)15-6-11-28-17(15)20-16(23)12-21-7-9-22(10-8-21)29(25,26)14-4-2-13(19)3-5-14/h2-6,11H,7-10,12H2,1H3,(H,20,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.43E+4	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)	BDBM50183389 (CHEMBL204491 | N-benzyl-3-(2-benzylcarbamoyl-ethyl...) Show SMILES O=C(CCSSCCC(=O)NCc1ccccc1)NCc1ccccc1 Show InChI InChI=1S/C20H24N2O2S2/c23-19(21-15-17-7-3-1-4-8-17)11-13-25-26-14-12-20(24)22-16-18-9-5-2-6-10-18/h1-10H,11-16H2,(H,21,23)(H,22,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.53E+4	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
Cysteine protease falcipain-3 [5-492] (Plasmodium falciparum)	BDBM50183389 (CHEMBL204491 | N-benzyl-3-(2-benzylcarbamoyl-ethyl...) Show SMILES O=C(CCSSCCC(=O)NCc1ccccc1)NCc1ccccc1 Show InChI InChI=1S/C20H24N2O2S2/c23-19(21-15-17-7-3-1-4-8-17)11-13-25-26-14-12-20(24)22-16-18-9-5-2-6-10-18/h1-10H,11-16H2,(H,21,23)(H,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.88E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of falcipain3				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)	BDBM50183408 (1-((1-(phenylsulfonyl)piperidin-4-yl)methyl)-3-tos...) Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)NCC1CCN(CC1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C20H25N3O5S2/c1-16-7-9-18(10-8-16)29(25,26)22-20(24)21-15-17-11-13-23(14-12-17)30(27,28)19-5-3-2-4-6-19/h2-10,17H,11-15H2,1H3,(H2,21,22,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+4	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
Cysteine protease (Leishmania donovani)	BDBM50183399 ((S)-3-benzyloxy-2-benzyloxycarbonylamino-propionic...) Show SMILES O=C(N[C@@H](COCc1ccccc1)C(=O)ON1C(=O)CCC1=O)OCc1ccccc1 Show InChI InChI=1S/C22H22N2O7/c25-19-11-12-20(26)24(19)31-21(27)18(15-29-13-16-7-3-1-4-8-16)23-22(28)30-14-17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,23,28)/t18-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of Leishmania donovani cysteine protease				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
Cysteine protease (Leishmania donovani)	BDBM50183384 (2-(4-chlorophenylsulfonyl)-N-(2-(phenylsulfonyl)et...) Show SMILES Clc1ccc(cc1)S(=O)(=O)CC(=O)NCCS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C16H16ClNO5S2/c17-13-6-8-15(9-7-13)25(22,23)12-16(19)18-10-11-24(20,21)14-4-2-1-3-5-14/h1-9H,10-12H2,(H,18,19)	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.49E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of Leishmania donovani cysteine protease				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
Cysteine protease falcipain-3 [5-492] (Plasmodium falciparum)	BDBM50183397 (CHEMBL440764 | ethyl 2-(2-(furan-2-ylmethylamino)-...) Show SMILES CCOC(=O)c1c2cc(OCC(=O)NCc3ccco3)ccc2n2ccccc12 Show InChI InChI=1S/C22H20N2O5/c1-2-27-22(26)21-17-12-15(8-9-18(17)24-10-4-3-7-19(21)24)29-14-20(25)23-13-16-6-5-11-28-16/h3-12H,2,13-14H2,1H3,(H,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of falcipain3				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
Cysteine protease (Leishmania donovani)	BDBM50183381 ((S)-benzyl 2-(2-(benzyloxycarbonylamino)acetamido)...) Show SMILES O=C(CNC(=O)OCc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1 Show InChI InChI=1S/C26H26N2O5/c29-24(17-27-26(31)33-19-22-14-8-3-9-15-22)28-23(16-20-10-4-1-5-11-20)25(30)32-18-21-12-6-2-7-13-21/h1-15,23H,16-19H2,(H,27,31)(H,28,29)/t23-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of Leishmania donovani cysteine protease				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
Cysteine protease falcipain-3 [5-492] (Plasmodium falciparum)	BDBM50183408 (1-((1-(phenylsulfonyl)piperidin-4-yl)methyl)-3-tos...) Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)NCC1CCN(CC1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C20H25N3O5S2/c1-16-7-9-18(10-8-16)29(25,26)22-20(24)21-15-17-11-13-23(14-12-17)30(27,28)19-5-3-2-4-6-19/h2-10,17H,11-15H2,1H3,(H2,21,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of falcipain3				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
Cysteine protease falcipain-3 [5-492] (Plasmodium falciparum)	BDBM50183392 (4-(5-(5-(morpholinosulfonyl)thiophen-2-yl)thiophen...) Show SMILES O=S(=O)(N1CCOCC1)c1ccc(s1)-c1ccc(s1)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C16H20N2O6S4/c19-27(20,17-5-9-23-10-6-17)15-3-1-13(25-15)14-2-4-16(26-14)28(21,22)18-7-11-24-12-8-18/h1-4H,5-12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.77E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of falcipain3				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
Cysteine protease falcipain-3 [5-492] (Plasmodium falciparum)	BDBM50183404 (CHEMBL204035 | N'-((2-chloro-6-fluorobenzyloxyamin...) Show SMILES Fc1cccc(Cl)c1CON=CNNC(=O)Cn1nnc(n1)-c1ccccc1 |w:11.12| Show InChI InChI=1S/C17H15ClFN7O2/c18-14-7-4-8-15(19)13(14)10-28-21-11-20-22-16(27)9-26-24-17(23-25-26)12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,20,21)(H,22,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.85E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of falcipain3				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
Cysteine protease (Leishmania donovani)	BDBM50183401 (2-(benzo[d]oxazol-2-ylthio)-N-(2-(furan-2-ylmethyl...) Show SMILES O=C(CSc1nc2ccccc2o1)NCCSCc1ccco1 Show InChI InChI=1S/C16H16N2O3S2/c19-15(17-7-9-22-10-12-4-3-8-20-12)11-23-16-18-13-5-1-2-6-14(13)21-16/h1-6,8H,7,9-11H2,(H,17,19)	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of Leishmania donovani cysteine protease				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)	BDBM50183390 (5-((4-chlorobenzylsulfonyl)methyl)-3-(thiophen-3-y...) Show SMILES Clc1ccc(CS(=O)(=O)Cc2nc(no2)-c2ccsc2)cc1 Show InChI InChI=1S/C14H11ClN2O3S2/c15-12-3-1-10(2-4-12)8-22(18,19)9-13-16-14(17-20-13)11-5-6-21-7-11/h1-7H,8-9H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.78E+4	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
Cysteine protease falcipain-3 [5-492] (Plasmodium falciparum)	BDBM50183402 (CHEMBL205056 | methyl 2-(2-(4-(4-chlorophenylsulfo...) Show SMILES COC(=O)c1ccsc1NC(=O)CN1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H20ClN3O5S2/c1-27-18(24)15-6-11-28-17(15)20-16(23)12-21-7-9-22(10-8-21)29(25,26)14-4-2-13(19)3-5-14/h2-6,11H,7-10,12H2,1H3,(H,20,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.92E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of falcipain3				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
Cysteine protease falcipain-3 [5-492] (Plasmodium falciparum)	BDBM50183376 ((N1',N6')-N1',N6'-bis(1-methyl-2-oxoindolin-3-ylid...) Show SMILES Cn1c(O)c(N=NC(=O)CCCCC(=O)N=Nc2c(O)n(C)c3ccccc23)c2ccccc12 |w:15.14,5.4| Show InChI InChI=1S/C24H24N6O4/c1-29-17-11-5-3-9-15(17)21(23(29)33)27-25-19(31)13-7-8-14-20(32)26-28-22-16-10-4-6-12-18(16)30(2)24(22)34/h3-6,9-12,33-34H,7-8,13-14H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of falcipain3				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
Cysteine protease falcipain-3 [5-492] (Plasmodium falciparum)	BDBM50183377 (CHEMBL383231 | methyl 3-[(3-{[2-(methoxycarbonyl)t...) Show SMILES COC(=O)c1sccc1NC(=O)CC(=O)Nc1ccsc1C(=O)OC Show InChI InChI=1S/C15H14N2O6S2/c1-22-14(20)12-8(3-5-24-12)16-10(18)7-11(19)17-9-4-6-25-13(9)15(21)23-2/h3-6H,7H2,1-2H3,(H,16,18)(H,17,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of falcipain3				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
Cysteine protease falcipain-3 [5-492] (Plasmodium falciparum)	BDBM50183396 (2-[(4-fluorobenzyl)sulfonyl]-N'-[(thien-2-ylcarbon...) Show SMILES NC(CS(=O)(=O)Cc1ccc(F)cc1)=NOC(=O)c1cccs1 |w:14.15| Show InChI InChI=1S/C14H13FN2O4S2/c15-11-5-3-10(4-6-11)8-23(19,20)9-13(16)17-21-14(18)12-2-1-7-22-12/h1-7H,8-9H2,(H2,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of falcipain3				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
Cysteine protease falcipain-3 [5-492] (Plasmodium falciparum)	BDBM50183403 (CHEMBL203801 | N'-(1-(2-(m-toluidino)-2-oxoethyl)-...) Show SMILES Cc1cccc(NC(=O)Cn2c(O)c(\N=N\C(=O)C(=O)NCc3ccccc3)c3ccccc23)c1 Show InChI InChI=1S/C26H23N5O4/c1-17-8-7-11-19(14-17)28-22(32)16-31-21-13-6-5-12-20(21)23(26(31)35)29-30-25(34)24(33)27-15-18-9-3-2-4-10-18/h2-14,35H,15-16H2,1H3,(H,27,33)(H,28,32)/b30-29+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of falcipain3				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
Cysteine protease falcipain-3 [5-492] (Plasmodium falciparum)	BDBM50183382 (5-Isoxazol-3-yl-thiophene-2-sulfonic acid (5-dimet...) Show SMILES CN(C)S(=O)(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(s2)-c2ccon2)c1 Show InChI InChI=1S/C16H17N3O5S3/c1-11-4-5-12(27(22,23)19(2)3)10-14(11)18-26(20,21)16-7-6-15(25-16)13-8-9-24-17-13/h4-10,18H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of falcipain3				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
Cysteine protease falcipain-3 [5-492] (Plasmodium falciparum)	BDBM50183405 (4,6-dimethyl-N,N-bis(2-(phenylsulfonyl)ethyl)-1,3,...) Show SMILES Cc1nc(C)nc(n1)N(CCS(=O)(=O)c1ccccc1)CCS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C21H24N4O4S2/c1-17-22-18(2)24-21(23-17)25(13-15-30(26,27)19-9-5-3-6-10-19)14-16-31(28,29)20-11-7-4-8-12-20/h3-12H,13-16H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of falcipain3				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
Cysteine protease falcipain-3 [5-492] (Plasmodium falciparum)	BDBM50183371 (CHEMBL204973 | N'-benzylidene-2-(3-((4-methylthiaz...) Show SMILES Cc1csc(Cn2nc(CC(=O)NN=Cc3ccccc3)c3ccccc3c2=O)n1 |w:14.14| Show InChI InChI=1S/C22H19N5O2S/c1-15-14-30-21(24-15)13-27-22(29)18-10-6-5-9-17(18)19(26-27)11-20(28)25-23-12-16-7-3-2-4-8-16/h2-10,12,14H,11,13H2,1H3,(H,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of falcipain3				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
Cysteine protease falcipain-3 [5-492] (Plasmodium falciparum)	BDBM50183398 (1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-(4-(fura...) Show SMILES O=C(CSc1n[nH]c(=O)n1Cc1ccco1)c1ccc2OCCOc2c1 Show InChI InChI=1S/C17H15N3O5S/c21-13(11-3-4-14-15(8-11)25-7-6-24-14)10-26-17-19-18-16(22)20(17)9-12-2-1-5-23-12/h1-5,8H,6-7,9-10H2,(H,18,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of falcipain3				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
Cysteine protease falcipain-3 [5-492] (Plasmodium falciparum)	BDBM50183386 (2-(2-(4-chlorophenylsulfonyl)ethylthio)-N-(4-(prop...) Show SMILES CCCS(=O)(=O)c1cscc1NC(=O)CSCCS(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C17H20ClNO5S4/c1-2-8-28(23,24)16-11-26-10-15(16)19-17(20)12-25-7-9-27(21,22)14-5-3-13(18)4-6-14/h3-6,10-11H,2,7-9,12H2,1H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of falcipain3				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)	BDBM50183396 (2-[(4-fluorobenzyl)sulfonyl]-N'-[(thien-2-ylcarbon...) Show SMILES NC(CS(=O)(=O)Cc1ccc(F)cc1)=NOC(=O)c1cccs1 |w:14.15| Show InChI InChI=1S/C14H13FN2O4S2/c15-11-5-3-10(4-6-11)8-23(19,20)9-13(16)17-21-14(18)12-2-1-7-22-12/h1-7H,8-9H2,(H2,16,17)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+4	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
Cysteine protease falcipain-3 [5-492] (Plasmodium falciparum)	BDBM50183385 (CHEMBL203823 | N-(2-(furan-2-ylmethylthio)ethyl)-2...) Show SMILES CCCc1cc(=O)[nH]c(SCC(=O)NCCSCc2ccco2)n1 Show InChI InChI=1S/C16H21N3O3S2/c1-2-4-12-9-14(20)19-16(18-12)24-11-15(21)17-6-8-23-10-13-5-3-7-22-13/h3,5,7,9H,2,4,6,8,10-11H2,1H3,(H,17,21)(H,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of falcipain3				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)	BDBM50183398 (1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-(4-(fura...) Show SMILES O=C(CSc1n[nH]c(=O)n1Cc1ccco1)c1ccc2OCCOc2c1 Show InChI InChI=1S/C17H15N3O5S/c21-13(11-3-4-14-15(8-11)25-7-6-24-14)10-26-17-19-18-16(22)20(17)9-12-2-1-5-23-12/h1-5,8H,6-7,9-10H2,(H,18,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.23E+4	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)	BDBM50183371 (CHEMBL204973 | N'-benzylidene-2-(3-((4-methylthiaz...) Show SMILES Cc1csc(Cn2nc(CC(=O)NN=Cc3ccccc3)c3ccccc3c2=O)n1 |w:14.14| Show InChI InChI=1S/C22H19N5O2S/c1-15-14-30-21(24-15)13-27-22(29)18-10-6-5-9-17(18)19(26-27)11-20(28)25-23-12-16-7-3-2-4-8-16/h2-10,12,14H,11,13H2,1H3,(H,25,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.43E+4	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
Cysteine protease falcipain-3 [5-492] (Plasmodium falciparum)	BDBM50183390 (5-((4-chlorobenzylsulfonyl)methyl)-3-(thiophen-3-y...) Show SMILES Clc1ccc(CS(=O)(=O)Cc2nc(no2)-c2ccsc2)cc1 Show InChI InChI=1S/C14H11ClN2O3S2/c15-12-3-1-10(2-4-12)8-22(18,19)9-13-16-14(17-20-13)11-5-6-21-7-11/h1-7H,8-9H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.66E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of falcipain3				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