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There are 14 purchasable compounds for target: Aspartic hemoglobinase II

Wt: 685.8
BDBM912
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Wt: 403.4
BDBM91731
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Wt: 622.1
BDBM50344444
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Wt: 536.6
BDBM50344445
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Wt: 468.5
BDBM50344446
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Wt: 515.6
BDBM50344447
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Wt: 506.0
BDBM50344448
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Wt: 556.6
BDBM50344449
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Wt: 313.3
BDBM50362535
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Wt: 399.3
BDBM50432237
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Wt: 431.9
BDBM50432238
Wt: 567.5
BDBM50432239
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Wt: 628.8
BDBM50010852
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Wt: 642.8
BDBM50010882
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 912,91731,50344444,50344445,50344446,50344447,50344448,50344449,50362535,50432237,50432238,50432239,50010852,50010882   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Plasmepsin 2


(Plasmodium falciparum)
BDBM50344448
PNG
(2-(1-(4-chlorobenzyl)-1H-benzo[d]imidazol-2-ylthio...)
Show SMILES CCN(CC)c1ccc(\C=N\NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C27H28ClN5OS/c1-3-32(4-2)23-15-11-20(12-16-23)17-29-31-26(34)19-35-27-30-24-7-5-6-8-25(24)33(27)18-21-9-13-22(28)14-10-21/h5-17H,3-4,18-19H2,1-2H3,(H,31,34)/b29-17+
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1.20E+3n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2 using DABCYL-Glu-Arg-Nle-Phe-Leu- Ser-Phe-Pro-EDANS fluorogenic substrate by fluorogenic assay


Bioorg Med Chem Lett 21: 3335-41 (2011)

More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM50344444
PNG
(3-amino-4-(4-(benzyloxy)-3-methoxyphenyl)-N-(5-chl...)
Show SMILES COc1ccc(Cl)cc1NC(=O)c1sc2nc(cc(-c3ccc(OCc4ccccc4)c(OC)c3)c2c1N)-c1ccccc1
Show InChI InChI=1S/C35H28ClN3O4S/c1-41-28-16-14-24(36)18-27(28)38-34(40)33-32(37)31-25(19-26(39-35(31)44-33)22-11-7-4-8-12-22)23-13-15-29(30(17-23)42-2)43-20-21-9-5-3-6-10-21/h3-19H,20,37H2,1-2H3,(H,38,40)
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1.60E+3n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2 using DABCYL-Glu-Arg-Nle-Phe-Leu- Ser-Phe-Pro-EDANS fluorogenic substrate by fluorogenic assay


Bioorg Med Chem Lett 21: 3335-41 (2011)

More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM50344447
PNG
(CHEMBL1780016 | methyl-5-(diethylcarbamoyl)-4-meth...)
Show SMILES CCN(CC)C(=O)c1sc(NC(=O)c2cc(nc3ccccc23)-c2cccc(C)c2)c(C(=O)OC)c1C
Show InChI InChI=1S/C29H29N3O4S/c1-6-32(7-2)28(34)25-18(4)24(29(35)36-5)27(37-25)31-26(33)21-16-23(19-12-10-11-17(3)15-19)30-22-14-9-8-13-20(21)22/h8-16H,6-7H2,1-5H3,(H,31,33)
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2.00E+3n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2 using DABCYL-Glu-Arg-Nle-Phe-Leu- Ser-Phe-Pro-EDANS fluorogenic substrate by fluorogenic assay


Bioorg Med Chem Lett 21: 3335-41 (2011)

More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM50344449
PNG
(CHEMBL1780018 | ethyl 4-(5-(4-tert-butylbenzyliden...)
Show SMILES CCOC(=O)c1ccc(cc1)\N=C1/S\C(=C/c2ccc(cc2)C(C)(C)C)C(=O)N1c1ccc(cc1)C(=O)OCC
Show InChI InChI=1S/C32H32N2O5S/c1-6-38-29(36)22-10-16-25(17-11-22)33-31-34(26-18-12-23(13-19-26)30(37)39-7-2)28(35)27(40-31)20-21-8-14-24(15-9-21)32(3,4)5/h8-20H,6-7H2,1-5H3/b27-20-,33-31-
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4.00E+3n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2 using DABCYL-Glu-Arg-Nle-Phe-Leu- Ser-Phe-Pro-EDANS fluorogenic substrate by fluorogenic assay


Bioorg Med Chem Lett 21: 3335-41 (2011)

More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM50344446
PNG
(CHEMBL1699130 | dimethyl-4,4'-(ethane-1,2-diylbis(...)
Show SMILES COC(=O)CCC(=O)N(CCN(Cc1ccccc1)C(=O)CCC(=O)OC)Cc1ccccc1
Show InChI InChI=1S/C26H32N2O6/c1-33-25(31)15-13-23(29)27(19-21-9-5-3-6-10-21)17-18-28(20-22-11-7-4-8-12-22)24(30)14-16-26(32)34-2/h3-12H,13-20H2,1-2H3
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7.00E+3n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2 using DABCYL-Glu-Arg-Nle-Phe-Leu- Ser-Phe-Pro-EDANS fluorogenic substrate by fluorogenic assay


Bioorg Med Chem Lett 21: 3335-41 (2011)

More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM50344445
PNG
(CHEMBL1780014 | N-(3-(1-(2-(2-(3-butoxyphenyl)quin...)
Show SMILES CCCCOc1cccc(c1)-c1cc(C(=O)NN=C(C)c2cccc(NC(=O)C(C)(C)C)c2)c2ccccc2n1
Show InChI InChI=1S/C33H36N4O3/c1-6-7-18-40-26-15-11-13-24(20-26)30-21-28(27-16-8-9-17-29(27)35-30)31(38)37-36-22(2)23-12-10-14-25(19-23)34-32(39)33(3,4)5/h8-17,19-21H,6-7,18H2,1-5H3,(H,34,39)(H,37,38)
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8.00E+3n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2 using DABCYL-Glu-Arg-Nle-Phe-Leu- Ser-Phe-Pro-EDANS fluorogenic substrate by fluorogenic assay


Bioorg Med Chem Lett 21: 3335-41 (2011)

More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM50344448
PNG
(2-(1-(4-chlorobenzyl)-1H-benzo[d]imidazol-2-ylthio...)
Show SMILES CCN(CC)c1ccc(\C=N\NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C27H28ClN5OS/c1-3-32(4-2)23-15-11-20(12-16-23)17-29-31-26(34)19-35-27-30-24-7-5-6-8-25(24)33(27)18-21-9-13-22(28)14-10-21/h5-17H,3-4,18-19H2,1-2H3,(H,31,34)/b29-17+
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n/an/a 2.40E+3n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2 using DABCYL-Glu-Arg-Nle-Phe-Leu- Ser-Phe-Pro-EDANS fluorogenic substrate by fluorogenic assay


Bioorg Med Chem Lett 21: 3335-41 (2011)

More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM50344449
PNG
(CHEMBL1780018 | ethyl 4-(5-(4-tert-butylbenzyliden...)
Show SMILES CCOC(=O)c1ccc(cc1)\N=C1/S\C(=C/c2ccc(cc2)C(C)(C)C)C(=O)N1c1ccc(cc1)C(=O)OCC
Show InChI InChI=1S/C32H32N2O5S/c1-6-38-29(36)22-10-16-25(17-11-22)33-31-34(26-18-12-23(13-19-26)30(37)39-7-2)28(35)27(40-31)20-21-8-14-24(15-9-21)32(3,4)5/h8-20H,6-7H2,1-5H3/b27-20-,33-31-
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n/an/a 6.10E+3n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2 using DABCYL-Glu-Arg-Nle-Phe-Leu- Ser-Phe-Pro-EDANS fluorogenic substrate by fluorogenic assay


Bioorg Med Chem Lett 21: 3335-41 (2011)

More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM50362535
PNG
(CHEMBL1941012)
Show SMILES O=C(Cn1c(nc2ccccc12)-c1ccccn1)c1ccccc1
Show InChI InChI=1S/C20H15N3O/c24-19(15-8-2-1-3-9-15)14-23-18-12-5-4-10-16(18)22-20(23)17-11-6-7-13-21-17/h1-13H,14H2
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin-2 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate by FRET analysis


Bioorg Med Chem Lett 22: 1282-6 (2012)

More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM50432237
PNG
(CHEMBL2347356)
Show SMILES OC(CNCc1ccccc1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc12
Show InChI InChI=1S/C22H20Cl2N2O/c23-16-6-8-21-19(10-16)20-11-17(24)7-9-22(20)26(21)14-18(27)13-25-12-15-4-2-1-3-5-15/h1-11,18,25,27H,12-14H2
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n/an/a 9.47E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum plasmepsin 2 expressed in Escherichia coli using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as subs...


Bioorg Med Chem Lett 23: 2078-82 (2013)

More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM50432238
PNG
(CHEMBL2347357)
Show SMILES NC(=S)NNC(=Cc1nc(cc2ccccc12)-c1ccccn1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H18ClN5S/c24-17-10-8-15(9-11-17)20(28-29-23(25)30)14-21-18-6-2-1-5-16(18)13-22(27-21)19-7-3-4-12-26-19/h1-14,28H,(H3,25,29,30)
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n/an/a 6.45E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum plasmepsin 2 expressed in Escherichia coli using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as subs...


Bioorg Med Chem Lett 23: 2078-82 (2013)

More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM50432239
PNG
(CHEMBL2347358)
Show SMILES Brc1cccc(c1)N(CC(=O)Nc1ccc(CSc2ccccc2)cc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C27H23BrN2O3S2/c28-22-8-7-9-24(18-22)30(35(32,33)26-12-5-2-6-13-26)19-27(31)29-23-16-14-21(15-17-23)20-34-25-10-3-1-4-11-25/h1-18H,19-20H2,(H,29,31)
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n/an/a 8.99E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum plasmepsin 2 expressed in Escherichia coli using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as subs...


Bioorg Med Chem Lett 23: 2078-82 (2013)

More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM91731
PNG
(CS100)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1CNc1cnc2ccccc2c1
Show InChI InChI=1S/C23H21N3O2S/c1-17-10-12-21(13-11-17)29(27,28)26-23-9-5-3-7-19(23)15-24-20-14-18-6-2-4-8-22(18)25-16-20/h2-14,16,24,26H,15H2,1H3
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n/an/a 7.00E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum plasmepsin 2 expressed in Escherichia coli using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as subs...


Bioorg Med Chem Lett 23: 2078-82 (2013)

More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM50344447
PNG
(CHEMBL1780016 | methyl-5-(diethylcarbamoyl)-4-meth...)
Show SMILES CCN(CC)C(=O)c1sc(NC(=O)c2cc(nc3ccccc23)-c2cccc(C)c2)c(C(=O)OC)c1C
Show InChI InChI=1S/C29H29N3O4S/c1-6-32(7-2)28(34)25-18(4)24(29(35)36-5)27(37-25)31-26(33)21-16-23(19-12-10-11-17(3)15-19)30-22-14-9-8-13-20(21)22/h8-16H,6-7H2,1-5H3,(H,31,33)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2 using DABCYL-Glu-Arg-Nle-Phe-Leu- Ser-Phe-Pro-EDANS fluorogenic substrate by fluorogenic assay


Bioorg Med Chem Lett 21: 3335-41 (2011)

More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM50344446
PNG
(CHEMBL1699130 | dimethyl-4,4'-(ethane-1,2-diylbis(...)
Show SMILES COC(=O)CCC(=O)N(CCN(Cc1ccccc1)C(=O)CCC(=O)OC)Cc1ccccc1
Show InChI InChI=1S/C26H32N2O6/c1-33-25(31)15-13-23(29)27(19-21-9-5-3-6-10-21)17-18-28(20-22-11-7-4-8-12-22)24(30)14-16-26(32)34-2/h3-12H,13-20H2,1-2H3
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Trinity College

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2 using DABCYL-Glu-Arg-Nle-Phe-Leu- Ser-Phe-Pro-EDANS fluorogenic substrate by fluorogenic assay


Bioorg Med Chem Lett 21: 3335-41 (2011)

More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM50344445
PNG
(CHEMBL1780014 | N-(3-(1-(2-(2-(3-butoxyphenyl)quin...)
Show SMILES CCCCOc1cccc(c1)-c1cc(C(=O)NN=C(C)c2cccc(NC(=O)C(C)(C)C)c2)c2ccccc2n1
Show InChI InChI=1S/C33H36N4O3/c1-6-7-18-40-26-15-11-13-24(20-26)30-21-28(27-16-8-9-17-29(27)35-30)31(38)37-36-22(2)23-12-10-14-25(19-23)34-32(39)33(3,4)5/h8-17,19-21H,6-7,18H2,1-5H3,(H,34,39)(H,37,38)
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n/an/a 1.15E+4n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2 using DABCYL-Glu-Arg-Nle-Phe-Leu- Ser-Phe-Pro-EDANS fluorogenic substrate by fluorogenic assay


Bioorg Med Chem Lett 21: 3335-41 (2011)

More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM50344444
PNG
(3-amino-4-(4-(benzyloxy)-3-methoxyphenyl)-N-(5-chl...)
Show SMILES COc1ccc(Cl)cc1NC(=O)c1sc2nc(cc(-c3ccc(OCc4ccccc4)c(OC)c3)c2c1N)-c1ccccc1
Show InChI InChI=1S/C35H28ClN3O4S/c1-41-28-16-14-24(36)18-27(28)38-34(40)33-32(37)31-25(19-26(39-35(31)44-33)22-11-7-4-8-12-22)23-13-15-29(30(17-23)42-2)43-20-21-9-5-3-6-10-21/h3-19H,20,37H2,1-2H3,(H,38,40)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2 using DABCYL-Glu-Arg-Nle-Phe-Leu- Ser-Phe-Pro-EDANS fluorogenic substrate by fluorogenic assay


Bioorg Med Chem Lett 21: 3335-41 (2011)

More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM912
PNG
((3S,4S)-3-hydroxy-4-[(2S)-2-[(3S,4S)-3-hydroxy-6-m...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(O)=O
Show InChI InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1
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n/an/a 0.680n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin-2 by FRET assay


Bioorg Med Chem Lett 18: 3011-5 (2008)

More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM50010852
PNG
(CHEMBL3264811)
Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(OC)c1)N1CCCC1
Show InChI InChI=1S/C38H52N4O4/c1-6-18-42(19-7-2)37(45)30-23-29(24-32(25-30)41-20-11-12-21-41)36(44)40-34(22-28-14-9-8-10-15-28)35(43)27-39-38(3,4)31-16-13-17-33(26-31)46-5/h8-10,13-17,23-26,34-35,39,43H,6-7,11-12,18-22,27H2,1-5H3,(H,40,44)/t34-,35+/m0/s1
PDB
MMDB

KEGG

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CHEMBL
PC cid
PC sid
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Article
PubMed
n/an/a 120n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Plasmodium falciparum plasmepsin-2 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET ass...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM50010882
PNG
(CHEMBL3264799)
Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(OC)c1)N1CCCCC1
Show InChI InChI=1S/C39H54N4O4/c1-6-19-43(20-7-2)38(46)31-24-30(25-33(26-31)42-21-12-9-13-22-42)37(45)41-35(23-29-15-10-8-11-16-29)36(44)28-40-39(3,4)32-17-14-18-34(27-32)47-5/h8,10-11,14-18,24-27,35-36,40,44H,6-7,9,12-13,19-23,28H2,1-5H3,(H,41,45)/t35-,36+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Plasmodium falciparum plasmepsin-2 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET ass...


Citation and Details
More data for this
Ligand-Target Pair