Found 28 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50007966 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 |
|---|
Plasmepsin II
(Plasmodium falciparum) | BDBM8005
((2R,3R,4R,5R)-2,5-bis({[(2E)-3-(4-acetylphenyl)pro...)Show SMILES CC(=O)c1ccc(\C=C\CO[C@H]([C@H](O)[C@@H](O)[C@@H](OC\C=C\c2ccc(cc2)C(C)=O)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 |r| Show InChI InChI=1S/C46H48N2O10/c1-27(49)31-19-15-29(16-20-31)9-7-23-57-43(45(55)47-39-35-13-5-3-11-33(35)25-37(39)51)41(53)42(54)44(58-24-8-10-30-17-21-32(22-18-30)28(2)50)46(56)48-40-36-14-6-4-12-34(36)26-38(40)52/h3-22,37-44,51-54H,23-26H2,1-2H3,(H,47,55)(H,48,56)/b9-7+,10-8+/t37-,38-,39+,40+,41-,42-,43-,44-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zambia
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Plasmodium falciparum Plasmepsin 2 |
J Med Chem 63: 4445-4467 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01622
BindingDB Entry DOI: 10.7270/Q2RR22K7 |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50377588
(CHEMBL257594)Show InChI InChI=1S/C22H19N3O2/c1-13-11-12-17-20(14(13)2)23-18-9-5-3-7-15(18)21(17)24-25-22(27)16-8-4-6-10-19(16)26/h3-12,26H,1-2H3,(H,23,24)(H,25,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zambia
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Plasmodium falciparum Plasmepsin 2 |
J Med Chem 63: 4445-4467 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01622
BindingDB Entry DOI: 10.7270/Q2RR22K7 |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50514493
(CHEMBL4440178)Show SMILES COC(=O)CCCC(=O)N1CC2CC(=C(C(C1)N2)C(=O)N(Cc1ccccc1)C1CC1)c1ccc(CCCOc2cc(F)ccc2Br)cc1 |c:13,TLB:7:9:14.13.12:17,31:13:10.9.16:17,THB:18:14:10.9.16:17| Show InChI InChI=1S/C39H43BrFN3O5/c1-48-37(46)11-5-10-36(45)43-24-30-22-32(28-14-12-26(13-15-28)9-6-20-49-35-21-29(41)16-19-33(35)40)38(34(25-43)42-30)39(47)44(31-17-18-31)23-27-7-3-2-4-8-27/h2-4,7-8,12-16,19,21,30-31,34,42H,5-6,9-11,17-18,20,22-25H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zambia
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Plasmodium falciparum Plasmepsin 2 |
J Med Chem 63: 4445-4467 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01622
BindingDB Entry DOI: 10.7270/Q2RR22K7 |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50514482
(CHEMBL4458921)Show SMILES CCCCCc1ccc(cc1)C(=O)N(Cc1ccc(cc1)-c1cccnc1)C1CCN(CCC(C)C)CC1 Show InChI InChI=1S/C34H45N3O/c1-4-5-6-8-28-10-16-31(17-11-28)34(38)37(33-19-23-36(24-20-33)22-18-27(2)3)26-29-12-14-30(15-13-29)32-9-7-21-35-25-32/h7,9-17,21,25,27,33H,4-6,8,18-20,22-24,26H2,1-3H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zambia
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Plasmodium falciparum Plasmepsin 2 |
J Med Chem 63: 4445-4467 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01622
BindingDB Entry DOI: 10.7270/Q2RR22K7 |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50316597
(CHEMBL1098671 | N-((S)-1-((2S,3S)-3-hydroxy-5-oxo-...)Show SMILES CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC#C |r| Show InChI InChI=1S/C34H39N5O5/c1-4-18-36-32(42)28(21-25-15-9-6-10-16-25)37-30(41)22-29(40)27(20-24-13-7-5-8-14-24)38-34(44)31(23(2)3)39-33(43)26-17-11-12-19-35-26/h1,5-17,19,23,27-29,31,40H,18,20-22H2,2-3H3,(H,36,42)(H,37,41)(H,38,44)(H,39,43)/t27-,28-,29-,31-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zambia
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Plasmodium falciparum Plasmepsin 2 |
J Med Chem 63: 4445-4467 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01622
BindingDB Entry DOI: 10.7270/Q2RR22K7 |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50461473
(CHEMBL4225824)Show SMILES CCCCCc1ccc(cc1)-c1cc(CCC(O)=O)c2c(c1)nc(N)n(CC1CCCO1)c2=O Show InChI InChI=1S/C27H33N3O4/c1-2-3-4-6-18-8-10-19(11-9-18)21-15-20(12-13-24(31)32)25-23(16-21)29-27(28)30(26(25)33)17-22-7-5-14-34-22/h8-11,15-16,22H,2-7,12-14,17H2,1H3,(H2,28,29)(H,31,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zambia
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Plasmodium falciparum Plasmepsin 2 |
J Med Chem 63: 4445-4467 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01622
BindingDB Entry DOI: 10.7270/Q2RR22K7 |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50316596
(CHEMBL1098668 | N-((S)-1-((2S,3S)-5-((R)-1-((S)-1-...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCl)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(N)=O |r| Show InChI InChI=1S/C31H43ClN6O6/c1-18(2)14-23(28(33)41)37-30(43)24(17-32)35-26(40)16-25(39)22(15-20-10-6-5-7-11-20)36-31(44)27(19(3)4)38-29(42)21-12-8-9-13-34-21/h5-13,18-19,22-25,27,39H,14-17H2,1-4H3,(H2,33,41)(H,35,40)(H,36,44)(H,37,43)(H,38,42)/t22-,23-,24-,25-,27-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zambia
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Plasmodium falciparum Plasmepsin 2 |
J Med Chem 63: 4445-4467 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01622
BindingDB Entry DOI: 10.7270/Q2RR22K7 |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50514494
(CHEMBL4470715)Show SMILES CCCCCc1ccc(cc1)C(=O)N(Cc1ccc(NC(=O)c2cc3ccccc3s2)cc1)C1CCN(CCC(C)C)CC1 Show InChI InChI=1S/C38H47N3O2S/c1-4-5-6-9-29-12-16-31(17-13-29)38(43)41(34-21-24-40(25-22-34)23-20-28(2)3)27-30-14-18-33(19-15-30)39-37(42)36-26-32-10-7-8-11-35(32)44-36/h7-8,10-19,26,28,34H,4-6,9,20-25,27H2,1-3H3,(H,39,42) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zambia
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Plasmodium falciparum Plasmepsin 2 |
J Med Chem 63: 4445-4467 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01622
BindingDB Entry DOI: 10.7270/Q2RR22K7 |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50514502
(CHEMBL1233569)Show SMILES CCCCCc1ccc(cc1)C(=O)N(Cc1ccc(cc1)-c1ccc(CC(=O)OC)cc1)C1CCN(Cc2ncc[nH]2)CC1 Show InChI InChI=1S/C37H44N4O3/c1-3-4-5-6-28-7-17-33(18-8-28)37(43)41(34-19-23-40(24-20-34)27-35-38-21-22-39-35)26-30-11-15-32(16-12-30)31-13-9-29(10-14-31)25-36(42)44-2/h7-18,21-22,34H,3-6,19-20,23-27H2,1-2H3,(H,38,39) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zambia
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Plasmodium falciparum Plasmepsin 2 |
J Med Chem 63: 4445-4467 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01622
BindingDB Entry DOI: 10.7270/Q2RR22K7 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Plasmepsin II
(Plasmodium falciparum) | BDBM50514505
(CHEMBL4516552)Show SMILES Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@@H]1C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C35H41N3O6S/c1-21-11-10-12-22(2)31(21)44-19-28(40)36-26(17-23-13-6-5-7-14-23)30(41)34(43)38-20-45-35(3,4)32(38)33(42)37-29-25-16-9-8-15-24(25)18-27(29)39/h5-16,26-27,29-30,32,39,41H,17-20H2,1-4H3,(H,36,40)(H,37,42)/t26-,27+,29-,30-,32-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zambia
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Plasmodium falciparum Plasmepsin 2 |
J Med Chem 63: 4445-4467 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01622
BindingDB Entry DOI: 10.7270/Q2RR22K7 |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50514489
(CHEMBL4537622)Show SMILES CCCCCc1ccc(cc1)C(=O)N(Cc1ccc(o1)-c1ccc(Cl)c(Cl)c1)C1CCN(CCC(C)C)CC1 Show InChI InChI=1S/C33H42Cl2N2O2/c1-4-5-6-7-25-8-10-26(11-9-25)33(38)37(28-17-20-36(21-18-28)19-16-24(2)3)23-29-13-15-32(39-29)27-12-14-30(34)31(35)22-27/h8-15,22,24,28H,4-7,16-21,23H2,1-3H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zambia
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Plasmodium falciparum Plasmepsin 2 |
J Med Chem 63: 4445-4467 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01622
BindingDB Entry DOI: 10.7270/Q2RR22K7 |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50514483
(CHEMBL4530972)Show SMILES CCCCCc1ccc(cc1)C(=O)N(Cc1ccc(o1)-c1cc(Cl)ccc1Cl)C1CCN(CCC(C)C)CC1 Show InChI InChI=1S/C33H42Cl2N2O2/c1-4-5-6-7-25-8-10-26(11-9-25)33(38)37(28-17-20-36(21-18-28)19-16-24(2)3)23-29-13-15-32(39-29)30-22-27(34)12-14-31(30)35/h8-15,22,24,28H,4-7,16-21,23H2,1-3H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zambia
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Plasmodium falciparum Plasmepsin 2 |
J Med Chem 63: 4445-4467 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01622
BindingDB Entry DOI: 10.7270/Q2RR22K7 |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50514486
(CHEMBL4531967)Show SMILES CCCCCc1ccc(cc1)C(=O)N(Cc1ccc(cc1)-c1cccnc1)C1CCN(Cc2ccc(O)cc2)CC1 Show InChI InChI=1S/C36H41N3O2/c1-2-3-4-6-28-8-16-32(17-9-28)36(41)39(27-30-10-14-31(15-11-30)33-7-5-22-37-25-33)34-20-23-38(24-21-34)26-29-12-18-35(40)19-13-29/h5,7-19,22,25,34,40H,2-4,6,20-21,23-24,26-27H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 104 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zambia
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Plasmodium falciparum Plasmepsin 2 |
J Med Chem 63: 4445-4467 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01622
BindingDB Entry DOI: 10.7270/Q2RR22K7 |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50514491
(CHEMBL4556003)Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)C1C(NCc2ccc3ccccc3c2)C2CC(CNC3CCCC3)C1N2 Show InChI InChI=1S/C34H45N3O2S/c1-2-3-4-9-24-15-18-30(19-16-24)40(38,39)34-32-28(23-35-29-12-7-8-13-29)21-31(37-32)33(34)36-22-25-14-17-26-10-5-6-11-27(26)20-25/h5-6,10-11,14-20,28-29,31-37H,2-4,7-9,12-13,21-23H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 107 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zambia
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Plasmodium falciparum Plasmepsin 2 |
J Med Chem 63: 4445-4467 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01622
BindingDB Entry DOI: 10.7270/Q2RR22K7 |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50514487
(CHEMBL1230705)Show SMILES CCCCCc1ccc(cc1)C(=O)N(Cc1ccc(cc1)N(C)c1ccncc1)C1CCN(CCC(C)C)CC1 Show InChI InChI=1S/C35H48N4O/c1-5-6-7-8-29-9-13-31(14-10-29)35(40)39(34-20-25-38(26-21-34)24-19-28(2)3)27-30-11-15-32(16-12-30)37(4)33-17-22-36-23-18-33/h9-18,22-23,28,34H,5-8,19-21,24-27H2,1-4H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 113 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zambia
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Plasmodium falciparum Plasmepsin 2 |
J Med Chem 63: 4445-4467 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01622
BindingDB Entry DOI: 10.7270/Q2RR22K7 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Plasmepsin II
(Plasmodium falciparum) | BDBM50513857
(CHEMBL4541926)Show SMILES CCCCCCc1ccc(cc1)S(=O)(=O)C1C2CCC(N2)C1NCc1ccc2ccccc2c1 |TLB:22:21:20:18.17,THB:12:15:20:18.17| Show InChI InChI=1S/C29H36N2O2S/c1-2-3-4-5-8-21-12-15-25(16-13-21)34(32,33)29-27-18-17-26(31-27)28(29)30-20-22-11-14-23-9-6-7-10-24(23)19-22/h6-7,9-16,19,26-31H,2-5,8,17-18,20H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zambia
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Plasmodium falciparum Plasmepsin 2 |
J Med Chem 63: 4445-4467 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01622
BindingDB Entry DOI: 10.7270/Q2RR22K7 |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50316599
(CHEMBL1098669 | N-((S)-1-((2S,3S)-5-((S)-1-((S)-1-...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC#N)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(N)=O |r| Show InChI InChI=1S/C32H43N7O6/c1-19(2)16-25(29(34)42)38-31(44)23(13-14-33)36-27(41)18-26(40)24(17-21-10-6-5-7-11-21)37-32(45)28(20(3)4)39-30(43)22-12-8-9-15-35-22/h5-12,15,19-20,23-26,28,40H,13,16-18H2,1-4H3,(H2,34,42)(H,36,41)(H,37,45)(H,38,44)(H,39,43)/t23-,24-,25-,26-,28-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 141 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zambia
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Plasmodium falciparum Plasmepsin 2 |
J Med Chem 63: 4445-4467 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01622
BindingDB Entry DOI: 10.7270/Q2RR22K7 |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50514488
(CHEMBL4543535)Show SMILES CCCCCc1ccc(cc1)C(=O)N(Cc1ccc(Nc2cc(C)nc3ccccc23)cc1)C1CCN(CCC(C)C)CC1 Show InChI InChI=1S/C39H50N4O/c1-5-6-7-10-31-13-17-33(18-14-31)39(44)43(35-22-25-42(26-23-35)24-21-29(2)3)28-32-15-19-34(20-16-32)41-38-27-30(4)40-37-12-9-8-11-36(37)38/h8-9,11-20,27,29,35H,5-7,10,21-26,28H2,1-4H3,(H,40,41) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 145 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zambia
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Plasmodium falciparum Plasmepsin 2 |
J Med Chem 63: 4445-4467 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01622
BindingDB Entry DOI: 10.7270/Q2RR22K7 |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50316598
(CHEMBL1098670 | N-((S)-1-((2S,3S)-5-((S)-1-((S)-1-...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC#C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(N)=O |r| Show InChI InChI=1S/C33H44N6O6/c1-6-12-24(32(44)38-26(30(34)42)17-20(2)3)36-28(41)19-27(40)25(18-22-13-8-7-9-14-22)37-33(45)29(21(4)5)39-31(43)23-15-10-11-16-35-23/h1,7-11,13-16,20-21,24-27,29,40H,12,17-19H2,2-5H3,(H2,34,42)(H,36,41)(H,37,45)(H,38,44)(H,39,43)/t24-,25-,26-,27-,29-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 333 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zambia
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Plasmodium falciparum Plasmepsin 2 |
J Med Chem 63: 4445-4467 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01622
BindingDB Entry DOI: 10.7270/Q2RR22K7 |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50514497
(CHEMBL4518375)Show SMILES O=C(Cc1ccccc1)N(Cc1ccccc1)C1CNCC1N(Cc1ccccc1)C(=O)Cc1ccccc1 Show InChI InChI=1S/C34H35N3O2/c38-33(21-27-13-5-1-6-14-27)36(25-29-17-9-3-10-18-29)31-23-35-24-32(31)37(26-30-19-11-4-12-20-30)34(39)22-28-15-7-2-8-16-28/h1-20,31-32,35H,21-26H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 550 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zambia
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Plasmodium falciparum Plasmepsin 2 |
J Med Chem 63: 4445-4467 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01622
BindingDB Entry DOI: 10.7270/Q2RR22K7 |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM233139
(2-Nitrobenzohydrazide | Mr-I-53b)Show InChI InChI=1S/C7H7N3O3/c8-9-7(11)5-3-1-2-4-6(5)10(12)13/h1-4H,8H2,(H,9,11) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zambia
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Plasmodium falciparum Plasmepsin 2 |
J Med Chem 63: 4445-4467 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01622
BindingDB Entry DOI: 10.7270/Q2RR22K7 |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50514498
(CHEMBL4554448)Show SMILES Nc1ccc(cc1)C(=O)CCC1CNCC=C(COC(=O)c2ccc3ccccc3c2)C1 |t:16| Show InChI InChI=1S/C27H28N2O3/c28-25-10-8-22(9-11-25)26(30)12-5-19-15-20(13-14-29-17-19)18-32-27(31)24-7-6-21-3-1-2-4-23(21)16-24/h1-4,6-11,13,16,19,29H,5,12,14-15,17-18,28H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zambia
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Plasmodium falciparum Plasmepsin 2 |
J Med Chem 63: 4445-4467 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01622
BindingDB Entry DOI: 10.7270/Q2RR22K7 |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM233141
(1,2-Diphenylhydrazine | Mr-II-10)Show InChI InChI=1S/C12H12N2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10,13-14H | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zambia
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Plasmodium falciparum Plasmepsin 2 |
J Med Chem 63: 4445-4467 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01622
BindingDB Entry DOI: 10.7270/Q2RR22K7 |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50514492
(CHEMBL4435432)Show SMILES CCCCN(CCCC)CC(O)c1cc(Cl)cc2cc(ccc12)-c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C26H30Cl3NO/c1-3-5-11-30(12-6-4-2)17-26(31)23-16-21(27)14-20-13-18(7-9-22(20)23)19-8-10-24(28)25(29)15-19/h7-10,13-16,26,31H,3-6,11-12,17H2,1-2H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zambia
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Plasmodium falciparum Plasmepsin 2 |
J Med Chem 63: 4445-4467 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01622
BindingDB Entry DOI: 10.7270/Q2RR22K7 |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50514496
(CHEMBL4448566)Show SMILES Clc1ccc2sc(SCCCc3ccc(OC4C5CCC(N5)C4OCc4ccc5ccccc5c4)cc3)nc2c1 Show InChI InChI=1S/C33H31ClN2O2S2/c34-25-11-16-30-29(19-25)36-33(40-30)39-17-3-4-21-8-12-26(13-9-21)38-32-28-15-14-27(35-28)31(32)37-20-22-7-10-23-5-1-2-6-24(23)18-22/h1-2,5-13,16,18-19,27-28,31-32,35H,3-4,14-15,17,20H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zambia
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Plasmodium falciparum Plasmepsin 2 |
J Med Chem 63: 4445-4467 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01622
BindingDB Entry DOI: 10.7270/Q2RR22K7 |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50514490
(CHEMBL1233097)Show InChI InChI=1S/C20H18N4O2/c21-19(22)14-6-8-15(9-7-14)23-20(25)24-16-10-12-18(13-11-16)26-17-4-2-1-3-5-17/h1-13H,(H3,21,22)(H2,23,24,25) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 2.88E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zambia
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Plasmodium falciparum Plasmepsin 2 |
J Med Chem 63: 4445-4467 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01622
BindingDB Entry DOI: 10.7270/Q2RR22K7 |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50514501
(CHEMBL4469961)Show SMILES CCCCCc1ccc(cc1)N(C[C@@H]1CCC(=O)C(F)(F)C1)C(=O)Cc1ccc2ccccc2c1 |r| Show InChI InChI=1S/C30H33F2NO2/c1-2-3-4-7-22-11-15-27(16-12-22)33(21-24-13-17-28(34)30(31,32)20-24)29(35)19-23-10-14-25-8-5-6-9-26(25)18-23/h5-6,8-12,14-16,18,24H,2-4,7,13,17,19-21H2,1H3/t24-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
University of Zambia
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Plasmodium falciparum Plasmepsin 2 |
J Med Chem 63: 4445-4467 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01622
BindingDB Entry DOI: 10.7270/Q2RR22K7 |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50514484
(CHEMBL4581955)Show SMILES C(CSc1nc2ccccc2s1)Oc1ccc(OC2C3CCC(N3)C2OCc2ccc3ccccc3c2)cc1 Show InChI InChI=1S/C32H30N2O3S2/c1-2-6-23-19-21(9-10-22(23)5-1)20-36-30-27-15-16-28(33-27)31(30)37-25-13-11-24(12-14-25)35-17-18-38-32-34-26-7-3-4-8-29(26)39-32/h1-14,19,27-28,30-31,33H,15-18,20H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zambia
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Plasmodium falciparum Plasmepsin 2 |
J Med Chem 63: 4445-4467 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01622
BindingDB Entry DOI: 10.7270/Q2RR22K7 |
More data for this
Ligand-Target Pair | |
Search and Browse
