Found 164 hits with Last Name = 'grimont' and Initial = 'j' 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) | BDBM50195377
((4'-{[[1-(3-methyl-butyl)-piperidin-4-yl]-(4-penty...)Show SMILES CCCCCc1ccc(cc1)C(=O)N(Cc1ccc(cc1)-c1ccc(CC(=O)OC)cc1)C1CCN(CCC(C)C)CC1 Show InChI InChI=1S/C38H50N2O3/c1-5-6-7-8-30-9-19-35(20-10-30)38(42)40(36-22-25-39(26-23-36)24-21-29(2)3)28-32-13-17-34(18-14-32)33-15-11-31(12-16-33)27-37(41)43-4/h9-20,29,36H,5-8,21-28H2,1-4H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PM2 by FRET assay |
Bioorg Med Chem Lett 16: 6194-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.027
BindingDB Entry DOI: 10.7270/Q2QJ7GZN |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50195408
(CHEMBL220689 | N-[4'-(benzylcarbamoyl-methyl)-biph...)Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN(CCCC)CCCC)Cc1ccc(cc1)-c1ccc(CC(=O)NCc2ccccc2)cc1 Show InChI InChI=1S/C44H57N3O2/c1-4-7-11-14-36-17-27-42(28-18-36)44(49)47(32-31-46(29-8-5-2)30-9-6-3)35-39-21-25-41(26-22-39)40-23-19-37(20-24-40)33-43(48)45-34-38-15-12-10-13-16-38/h10,12-13,15-28H,4-9,11,14,29-35H2,1-3H3,(H,45,48) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PM2 by FRET assay |
Bioorg Med Chem Lett 16: 6194-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.027
BindingDB Entry DOI: 10.7270/Q2QJ7GZN |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50195416
(CHEMBL219994 | N-(2-dibutylamino-ethyl)-4-pentyl-N...)Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN(CCCC)CCCC)Cc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCSCC1 Show InChI InChI=1S/C40H55N3O2S/c1-4-7-10-11-33-12-18-37(19-13-33)40(45)43(27-26-41(24-8-5-2)25-9-6-3)32-34-14-16-35(17-15-34)36-20-22-38(23-21-36)39(44)42-28-30-46-31-29-42/h12-23H,4-11,24-32H2,1-3H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PM2 by FRET assay |
Bioorg Med Chem Lett 16: 6194-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.027
BindingDB Entry DOI: 10.7270/Q2QJ7GZN |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50195373
(4'-{[(2-dibutylamino-ethyl)-(4-pentyl-benzoyl)-ami...)Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN(CCCC)CCCC)Cc1ccc(cc1)-c1ccc(cc1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C43H55N3O2/c1-4-7-11-14-35-17-23-41(24-18-35)43(48)46(32-31-45(29-8-5-2)30-9-6-3)34-37-19-21-38(22-20-37)39-25-27-40(28-26-39)42(47)44-33-36-15-12-10-13-16-36/h10,12-13,15-28H,4-9,11,14,29-34H2,1-3H3,(H,44,47) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PM2 by FRET assay |
Bioorg Med Chem Lett 16: 6194-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.027
BindingDB Entry DOI: 10.7270/Q2QJ7GZN |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50195407
(CHEMBL207616 | N-(2-dibutylamino-ethyl)-N-[4'-(2-m...)Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN(CCCC)CCCC)Cc1ccc(cc1)-c1ccc(CC(=O)N2CCOCC2)cc1 Show InChI InChI=1S/C41H57N3O3/c1-4-7-10-11-34-12-22-39(23-13-34)41(46)44(27-26-42(24-8-5-2)25-9-6-3)33-36-16-20-38(21-17-36)37-18-14-35(15-19-37)32-40(45)43-28-30-47-31-29-43/h12-23H,4-11,24-33H2,1-3H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PM2 by FRET assay |
Bioorg Med Chem Lett 16: 6194-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.027
BindingDB Entry DOI: 10.7270/Q2QJ7GZN |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50195390
(4'-{[(2-dibutylamino-ethyl)-(4-pentyl-benzoyl)-ami...)Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN(CCCC)CCCC)Cc1ccc(cc1)-c1ccc(cc1)C(=O)N(C)C Show InChI InChI=1S/C38H53N3O2/c1-6-9-12-13-31-14-20-36(21-15-31)38(43)41(29-28-40(26-10-7-2)27-11-8-3)30-32-16-18-33(19-17-32)34-22-24-35(25-23-34)37(42)39(4)5/h14-25H,6-13,26-30H2,1-5H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 77 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PM2 by FRET assay |
Bioorg Med Chem Lett 16: 6194-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.027
BindingDB Entry DOI: 10.7270/Q2QJ7GZN |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50195380
(CHEMBL387315 | N-{4'-[(benzyl-methyl-carbamoyl)-me...)Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN(CCCC)CCCC)Cc1ccc(cc1)-c1ccc(CC(=O)N(C)Cc2ccccc2)cc1 Show InChI InChI=1S/C45H59N3O2/c1-5-8-12-15-37-18-28-43(29-19-37)45(50)48(33-32-47(30-9-6-2)31-10-7-3)36-40-22-26-42(27-23-40)41-24-20-38(21-25-41)34-44(49)46(4)35-39-16-13-11-14-17-39/h11,13-14,16-29H,5-10,12,15,30-36H2,1-4H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 91 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PM2 by FRET assay |
Bioorg Med Chem Lett 16: 6194-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.027
BindingDB Entry DOI: 10.7270/Q2QJ7GZN |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50195402
(CHEMBL374329 | N-(4-(benzo[d][1,3]dioxol-5-yl)benz...)Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN(CCCC)CCCC)Cc1ccc(cc1)-c1ccc2OCOc2c1 Show InChI InChI=1S/C36H48N2O3/c1-4-7-10-11-29-12-18-32(19-13-29)36(39)38(25-24-37(22-8-5-2)23-9-6-3)27-30-14-16-31(17-15-30)33-20-21-34-35(26-33)41-28-40-34/h12-21,26H,4-11,22-25,27-28H2,1-3H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 101 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PM2 by FRET assay |
Bioorg Med Chem Lett 16: 6194-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.027
BindingDB Entry DOI: 10.7270/Q2QJ7GZN |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50195372
(CHEMBL220718 | N-biphenyl-4-ylmethyl-N-(2-dibutyla...)Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN(CCCC)CCCC)Cc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C35H48N2O/c1-4-7-11-14-30-17-23-34(24-18-30)35(38)37(28-27-36(25-8-5-2)26-9-6-3)29-31-19-21-33(22-20-31)32-15-12-10-13-16-32/h10,12-13,15-24H,4-9,11,14,25-29H2,1-3H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 143 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PM2 by FRET assay |
Bioorg Med Chem Lett 16: 6194-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.027
BindingDB Entry DOI: 10.7270/Q2QJ7GZN |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50195388
(CHEMBL387316 | N-(4-((N-(2-(dibutylamino)ethyl)-4-...)Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN(CCCC)CCCC)Cc1ccc(NC(=O)c2ccnc(OC)c2)cc1 Show InChI InChI=1S/C36H50N4O3/c1-5-8-11-12-29-13-17-31(18-14-29)36(42)40(26-25-39(23-9-6-2)24-10-7-3)28-30-15-19-33(20-16-30)38-35(41)32-21-22-37-34(27-32)43-4/h13-22,27H,5-12,23-26,28H2,1-4H3,(H,38,41) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 154 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PM2 by FRET assay |
Bioorg Med Chem Lett 16: 6194-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.027
BindingDB Entry DOI: 10.7270/Q2QJ7GZN |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50195415
(CHEMBL375351 | N-(4-(benzo[d][1,3]dioxol-5-yl)benz...)Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN1CCC(CCCc2ccccc2)CC1)Cc1ccc(cc1)-c1ccc2OCOc2c1 Show InChI InChI=1S/C42H50N2O3/c1-2-3-5-9-34-14-20-38(21-15-34)42(45)44(29-28-43-26-24-35(25-27-43)13-8-12-33-10-6-4-7-11-33)31-36-16-18-37(19-17-36)39-22-23-40-41(30-39)47-32-46-40/h4,6-7,10-11,14-23,30,35H,2-3,5,8-9,12-13,24-29,31-32H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 165 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PM2 by FRET assay |
Bioorg Med Chem Lett 16: 6194-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.027
BindingDB Entry DOI: 10.7270/Q2QJ7GZN |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50195389
((4'-{[(2-dibutylamino-ethyl)-(4-pentyl-benzoyl)-am...)Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN(CCCC)CCCC)Cc1ccc(cc1)-c1ccc(CC(=O)OC)cc1 Show InChI InChI=1S/C38H52N2O3/c1-5-8-11-12-31-13-23-36(24-14-31)38(42)40(28-27-39(25-9-6-2)26-10-7-3)30-33-17-21-35(22-18-33)34-19-15-32(16-20-34)29-37(41)43-4/h13-24H,5-12,25-30H2,1-4H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 183 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PM2 by FRET assay |
Bioorg Med Chem Lett 16: 6194-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.027
BindingDB Entry DOI: 10.7270/Q2QJ7GZN |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50195423
(CHEMBL219771 | N-(4-thiomorpholinobenzyl)-N-(2-(di...)Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN(CCCC)CCCC)Cc1ccc(cc1)N1CCSCC1 Show InChI InChI=1S/C33H51N3OS/c1-4-7-10-11-29-12-16-31(17-13-29)33(37)36(23-22-34(20-8-5-2)21-9-6-3)28-30-14-18-32(19-15-30)35-24-26-38-27-25-35/h12-19H,4-11,20-28H2,1-3H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 188 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PM2 by FRET assay |
Bioorg Med Chem Lett 16: 6194-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.027
BindingDB Entry DOI: 10.7270/Q2QJ7GZN |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50195422
(CHEMBL375125 | N-(4-(benzo[d][1,3]dioxol-5-yl)benz...)Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN1CCC(Cc2ccccc2)CC1)Cc1ccc(cc1)-c1ccc2OCOc2c1 Show InChI InChI=1S/C40H46N2O3/c1-2-3-5-8-31-11-17-36(18-12-31)40(43)42(26-25-41-23-21-33(22-24-41)27-32-9-6-4-7-10-32)29-34-13-15-35(16-14-34)37-19-20-38-39(28-37)45-30-44-38/h4,6-7,9-20,28,33H,2-3,5,8,21-27,29-30H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PM2 by FRET assay |
Bioorg Med Chem Lett 16: 6194-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.027
BindingDB Entry DOI: 10.7270/Q2QJ7GZN |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50195384
(CHEMBL223243 | N-(4-(4-phenylpiperazin-1-yl)benzyl...)Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN(CCCC)CCCC)Cc1ccc(cc1)N1CCN(CC1)c1ccccc1 Show InChI InChI=1S/C39H56N4O/c1-4-7-11-14-34-17-21-36(22-18-34)39(44)43(28-27-40(25-8-5-2)26-9-6-3)33-35-19-23-38(24-20-35)42-31-29-41(30-32-42)37-15-12-10-13-16-37/h10,12-13,15-24H,4-9,11,14,25-33H2,1-3H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PM2 by FRET assay |
Bioorg Med Chem Lett 16: 6194-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.027
BindingDB Entry DOI: 10.7270/Q2QJ7GZN |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50195419
(CHEMBL385329 | N-(4-((N-(2-(dibutylamino)ethyl)-4-...)Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN(CCCC)CCCC)Cc1ccc(NC(=O)C2CCCNC2)cc1 Show InChI InChI=1S/C35H54N4O2/c1-4-7-10-12-29-14-18-31(19-15-29)35(41)39(26-25-38(23-8-5-2)24-9-6-3)28-30-16-20-33(21-17-30)37-34(40)32-13-11-22-36-27-32/h14-21,32,36H,4-13,22-28H2,1-3H3,(H,37,40) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 202 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PM2 by FRET assay |
Bioorg Med Chem Lett 16: 6194-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.027
BindingDB Entry DOI: 10.7270/Q2QJ7GZN |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50195412
(CHEMBL375526 | N-(4-(pyridin-4-yl)benzyl)-N-(2-(di...)Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN(CCCC)CCCC)Cc1ccc(cc1)-c1ccncc1 Show InChI InChI=1S/C34H47N3O/c1-4-7-10-11-29-12-18-33(19-13-29)34(38)37(27-26-36(24-8-5-2)25-9-6-3)28-30-14-16-31(17-15-30)32-20-22-35-23-21-32/h12-23H,4-11,24-28H2,1-3H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 212 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PM2 by FRET assay |
Bioorg Med Chem Lett 16: 6194-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.027
BindingDB Entry DOI: 10.7270/Q2QJ7GZN |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50195378
(CHEMBL375169 | N-(4-(phenylamino)benzyl)-N-(2-(dib...)Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN(CCCC)CCCC)Cc1ccc(Nc2ccccc2)cc1 Show InChI InChI=1S/C35H49N3O/c1-4-7-11-14-30-17-21-32(22-18-30)35(39)38(28-27-37(25-8-5-2)26-9-6-3)29-31-19-23-34(24-20-31)36-33-15-12-10-13-16-33/h10,12-13,15-24,36H,4-9,11,14,25-29H2,1-3H3 | PDB
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PubMed
| n/a | n/a | 224 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PM2 by FRET assay |
Bioorg Med Chem Lett 16: 6194-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.027
BindingDB Entry DOI: 10.7270/Q2QJ7GZN |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50195392
(CHEMBL220370 | N-(4-(1H-pyrrol-1-yl)benzyl)-N-(2-(...)Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN(CCCC)CCCC)Cc1ccc(cc1)-n1cccc1 Show InChI InChI=1S/C33H47N3O/c1-4-7-10-13-29-14-18-31(19-15-29)33(37)36(27-26-34(22-8-5-2)23-9-6-3)28-30-16-20-32(21-17-30)35-24-11-12-25-35/h11-12,14-21,24-25H,4-10,13,22-23,26-28H2,1-3H3 | PDB
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| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PM2 by FRET assay |
Bioorg Med Chem Lett 16: 6194-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.027
BindingDB Entry DOI: 10.7270/Q2QJ7GZN |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50195417
(CHEMBL220277 | N-(4-((N-(2-(dibutylamino)ethyl)-4-...)Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN(CCCC)CCCC)Cc1ccc(NC(=O)c2cnccn2)cc1 Show InChI InChI=1S/C34H47N5O2/c1-4-7-10-11-28-12-16-30(17-13-28)34(41)39(25-24-38(22-8-5-2)23-9-6-3)27-29-14-18-31(19-15-29)37-33(40)32-26-35-20-21-36-32/h12-21,26H,4-11,22-25,27H2,1-3H3,(H,37,40) | PDB
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| n/a | n/a | 243 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PM2 by FRET assay |
Bioorg Med Chem Lett 16: 6194-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.027
BindingDB Entry DOI: 10.7270/Q2QJ7GZN |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50195393
(CHEMBL375225 | N-(4-(benzyl(methyl)amino)benzyl)-N...)Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN(CCCC)CCCC)Cc1ccc(cc1)N(C)Cc1ccccc1 Show InChI InChI=1S/C37H53N3O/c1-5-8-12-15-32-18-22-35(23-19-32)37(41)40(29-28-39(26-9-6-2)27-10-7-3)31-34-20-24-36(25-21-34)38(4)30-33-16-13-11-14-17-33/h11,13-14,16-25H,5-10,12,15,26-31H2,1-4H3 | PDB
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| n/a | n/a | 289 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PM2 by FRET assay |
Bioorg Med Chem Lett 16: 6194-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.027
BindingDB Entry DOI: 10.7270/Q2QJ7GZN |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50195400
(CHEMBL220562 | N-(4-(benzo[d][1,3]dioxol-5-yl)benz...)Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN(CCO)Cc1ccccc1)Cc1ccc(cc1)-c1ccc2OCOc2c1 Show InChI InChI=1S/C37H42N2O4/c1-2-3-5-8-29-11-17-33(18-12-29)37(41)39(22-21-38(23-24-40)26-30-9-6-4-7-10-30)27-31-13-15-32(16-14-31)34-19-20-35-36(25-34)43-28-42-35/h4,6-7,9-20,25,40H,2-3,5,8,21-24,26-28H2,1H3 | PDB
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| n/a | n/a | 334 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PM2 by FRET assay |
Bioorg Med Chem Lett 16: 6194-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.027
BindingDB Entry DOI: 10.7270/Q2QJ7GZN |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50195404
(CHEMBL223290 | N-(4-(benzo[d][1,3]dioxol-5-yl)benz...)Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN1CCCCC1)Cc1ccc(cc1)-c1ccc2OCOc2c1 Show InChI InChI=1S/C33H40N2O3/c1-2-3-5-8-26-9-15-29(16-10-26)33(36)35(22-21-34-19-6-4-7-20-34)24-27-11-13-28(14-12-27)30-17-18-31-32(23-30)38-25-37-31/h9-18,23H,2-8,19-22,24-25H2,1H3 | PDB
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| n/a | n/a | 334 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PM2 by FRET assay |
Bioorg Med Chem Lett 16: 6194-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.027
BindingDB Entry DOI: 10.7270/Q2QJ7GZN |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50195425
(CHEMBL223843 | N-(4-(piperidin-1-yl)benzyl)-N-(2-(...)Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN(CCCC)CCCC)Cc1ccc(cc1)N1CCCCC1 Show InChI InChI=1S/C34H53N3O/c1-4-7-11-14-30-15-19-32(20-16-30)34(38)37(28-27-35(23-8-5-2)24-9-6-3)29-31-17-21-33(22-18-31)36-25-12-10-13-26-36/h15-22H,4-14,23-29H2,1-3H3 | PDB
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| n/a | n/a | 369 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PM2 by FRET assay |
Bioorg Med Chem Lett 16: 6194-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.027
BindingDB Entry DOI: 10.7270/Q2QJ7GZN |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50195426
(CHEMBL221151 | N-(4-(pyridin-3-yl)benzyl)-N-(2-(di...)Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN(CCCC)CCCC)Cc1ccc(cc1)-c1cccnc1 Show InChI InChI=1S/C34H47N3O/c1-4-7-10-12-29-14-20-32(21-15-29)34(38)37(26-25-36(23-8-5-2)24-9-6-3)28-30-16-18-31(19-17-30)33-13-11-22-35-27-33/h11,13-22,27H,4-10,12,23-26,28H2,1-3H3 | PDB
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| n/a | n/a | 374 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PM2 by FRET assay |
Bioorg Med Chem Lett 16: 6194-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.027
BindingDB Entry DOI: 10.7270/Q2QJ7GZN |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50195374
(CHEMBL222773 | N-(4-(pyridin-2-yl)benzyl)-N-(2-(di...)Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN(CCCC)CCCC)Cc1ccc(cc1)-c1ccccn1 Show InChI InChI=1S/C34H47N3O/c1-4-7-10-13-29-15-21-32(22-16-29)34(38)37(27-26-36(24-8-5-2)25-9-6-3)28-30-17-19-31(20-18-30)33-14-11-12-23-35-33/h11-12,14-23H,4-10,13,24-28H2,1-3H3 | PDB
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| n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PM2 by FRET assay |
Bioorg Med Chem Lett 16: 6194-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.027
BindingDB Entry DOI: 10.7270/Q2QJ7GZN |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50195396
(CHEMBL219717 | N-(4-(benzylamino)benzyl)-N-(2-(dib...)Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN(CCCC)CCCC)Cc1ccc(NCc2ccccc2)cc1 Show InChI InChI=1S/C36H51N3O/c1-4-7-11-14-31-17-21-34(22-18-31)36(40)39(28-27-38(25-8-5-2)26-9-6-3)30-33-19-23-35(24-20-33)37-29-32-15-12-10-13-16-32/h10,12-13,15-24,37H,4-9,11,14,25-30H2,1-3H3 | PDB
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| n/a | n/a | 429 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PM2 by FRET assay |
Bioorg Med Chem Lett 16: 6194-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.027
BindingDB Entry DOI: 10.7270/Q2QJ7GZN |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50195397
(CHEMBL220369 | N-((6-(benzo[d][1,3]dioxol-5-yl)pyr...)Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN(CCCC)CCCC)Cc1ccc(nc1)-c1ccc2OCOc2c1 Show InChI InChI=1S/C35H47N3O3/c1-4-7-10-11-28-12-15-30(16-13-28)35(39)38(23-22-37(20-8-5-2)21-9-6-3)26-29-14-18-32(36-25-29)31-17-19-33-34(24-31)41-27-40-33/h12-19,24-25H,4-11,20-23,26-27H2,1-3H3 | PDB
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| n/a | n/a | 437 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PM2 by FRET assay |
Bioorg Med Chem Lett 16: 6194-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.027
BindingDB Entry DOI: 10.7270/Q2QJ7GZN |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50195386
(CHEMBL220322 | N-(4-(benzo[d][1,3]dioxol-5-yl)benz...)Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN(CC)CCN(CC)CC)Cc1ccc(cc1)-c1ccc2OCOc2c1 Show InChI InChI=1S/C36H49N3O3/c1-5-9-10-11-29-12-18-32(19-13-29)36(40)39(25-24-38(8-4)23-22-37(6-2)7-3)27-30-14-16-31(17-15-30)33-20-21-34-35(26-33)42-28-41-34/h12-21,26H,5-11,22-25,27-28H2,1-4H3 | PDB
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| n/a | n/a | 439 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PM2 by FRET assay |
Bioorg Med Chem Lett 16: 6194-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.027
BindingDB Entry DOI: 10.7270/Q2QJ7GZN |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50195376
((4'-{[(2-dibutylamino-ethyl)-(4-pentyl-benzoyl)-am...)Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN(CCCC)CCCC)Cc1ccc(cc1)-c1ccc(CC(O)=O)cc1 Show InChI InChI=1S/C37H50N2O3/c1-4-7-10-11-30-12-22-35(23-13-30)37(42)39(27-26-38(24-8-5-2)25-9-6-3)29-32-16-20-34(21-17-32)33-18-14-31(15-19-33)28-36(40)41/h12-23H,4-11,24-29H2,1-3H3,(H,40,41) | PDB
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| n/a | n/a | 463 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PM2 by FRET assay |
Bioorg Med Chem Lett 16: 6194-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.027
BindingDB Entry DOI: 10.7270/Q2QJ7GZN |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50195379
(CHEMBL221150 | N-(4-((N-(2-(dibutylamino)ethyl)-4-...)Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN(CCCC)CCCC)Cc1ccc(NC(=O)C2CCNCC2)cc1 Show InChI InChI=1S/C35H54N4O2/c1-4-7-10-11-29-12-16-32(17-13-29)35(41)39(27-26-38(24-8-5-2)25-9-6-3)28-30-14-18-33(19-15-30)37-34(40)31-20-22-36-23-21-31/h12-19,31,36H,4-11,20-28H2,1-3H3,(H,37,40) | PDB
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| n/a | n/a | 464 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PM2 by FRET assay |
Bioorg Med Chem Lett 16: 6194-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.027
BindingDB Entry DOI: 10.7270/Q2QJ7GZN |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50195398
(CHEMBL220942 | N-(2-dibutylamino-ethyl)-N-[4'-(2-h...)Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN(CCCC)CCCC)Cc1ccc(cc1)-c1ccc(OCCO)cc1 Show InChI InChI=1S/C37H52N2O3/c1-4-7-10-11-31-12-18-35(19-13-31)37(41)39(27-26-38(24-8-5-2)25-9-6-3)30-32-14-16-33(17-15-32)34-20-22-36(23-21-34)42-29-28-40/h12-23,40H,4-11,24-30H2,1-3H3 | PDB
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| n/a | n/a | 511 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PM2 by FRET assay |
Bioorg Med Chem Lett 16: 6194-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.027
BindingDB Entry DOI: 10.7270/Q2QJ7GZN |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50195406
(CHEMBL220667 | N-(4-(benzo[d][1,3]dioxol-5-yl)benz...)Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN(CCC)CCC)Cc1ccc(cc1)-c1ccc2OCOc2c1 Show InChI InChI=1S/C34H44N2O3/c1-4-7-8-9-27-10-16-30(17-11-27)34(37)36(23-22-35(20-5-2)21-6-3)25-28-12-14-29(15-13-28)31-18-19-32-33(24-31)39-26-38-32/h10-19,24H,4-9,20-23,25-26H2,1-3H3 | PDB
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| n/a | n/a | 531 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PM2 by FRET assay |
Bioorg Med Chem Lett 16: 6194-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.027
BindingDB Entry DOI: 10.7270/Q2QJ7GZN |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50195383
(CHEMBL221149 | N-(4-(pyrimidin-5-yl)benzyl)-N-(2-(...)Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN(CCCC)CCCC)Cc1ccc(cc1)-c1cncnc1 Show InChI InChI=1S/C33H46N4O/c1-4-7-10-11-28-12-18-31(19-13-28)33(38)37(23-22-36(20-8-5-2)21-9-6-3)26-29-14-16-30(17-15-29)32-24-34-27-35-25-32/h12-19,24-25,27H,4-11,20-23,26H2,1-3H3 | PDB
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PubMed
| n/a | n/a | 531 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PM2 by FRET assay |
Bioorg Med Chem Lett 16: 6194-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.027
BindingDB Entry DOI: 10.7270/Q2QJ7GZN |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50195418
(CHEMBL375310 | N-(4-(methyl(phenyl)amino)benzyl)-N...)Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN(CCCC)CCCC)Cc1ccc(cc1)N(C)c1ccccc1 Show InChI InChI=1S/C36H51N3O/c1-5-8-12-15-31-18-22-33(23-19-31)36(40)39(29-28-38(26-9-6-2)27-10-7-3)30-32-20-24-35(25-21-32)37(4)34-16-13-11-14-17-34/h11,13-14,16-25H,5-10,12,15,26-30H2,1-4H3 | PDB
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PubMed
| n/a | n/a | 574 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PM2 by FRET assay |
Bioorg Med Chem Lett 16: 6194-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.027
BindingDB Entry DOI: 10.7270/Q2QJ7GZN |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50195409
(CHEMBL220331 | N-(2-(dibutylamino)ethyl)-4-pentyl-...)Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN(CCCC)CCCC)Cc1ccc(nc1)-c1cccnc1 Show InChI InChI=1S/C33H46N4O/c1-4-7-10-12-28-14-17-30(18-15-28)33(38)37(24-23-36(21-8-5-2)22-9-6-3)27-29-16-19-32(35-25-29)31-13-11-20-34-26-31/h11,13-20,25-26H,4-10,12,21-24,27H2,1-3H3 | PDB
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| n/a | n/a | 587 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PM2 by FRET assay |
Bioorg Med Chem Lett 16: 6194-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.027
BindingDB Entry DOI: 10.7270/Q2QJ7GZN |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50195381
(CHEMBL374456 | N-(2-(dibutylamino)ethyl)-4-pentyl-...)Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN(CCCC)CCCC)Cc1ccc(nc1)-c1ccccc1 Show InChI InChI=1S/C34H47N3O/c1-4-7-11-14-29-17-20-32(21-18-29)34(38)37(26-25-36(23-8-5-2)24-9-6-3)28-30-19-22-33(35-27-30)31-15-12-10-13-16-31/h10,12-13,15-22,27H,4-9,11,14,23-26,28H2,1-3H3 | PDB
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| n/a | n/a | 589 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PM2 by FRET assay |
Bioorg Med Chem Lett 16: 6194-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.027
BindingDB Entry DOI: 10.7270/Q2QJ7GZN |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50195427
(CHEMBL273338 | N-(2-(dibutylamino)ethyl)-4-pentyl-...)Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN(CCCC)CCCC)Cc1ccc(nc1)-c1ccncc1 Show InChI InChI=1S/C33H46N4O/c1-4-7-10-11-28-12-15-31(16-13-28)33(38)37(25-24-36(22-8-5-2)23-9-6-3)27-29-14-17-32(35-26-29)30-18-20-34-21-19-30/h12-21,26H,4-11,22-25,27H2,1-3H3 | PDB
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| n/a | n/a | 642 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PM2 by FRET assay |
Bioorg Med Chem Lett 16: 6194-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.027
BindingDB Entry DOI: 10.7270/Q2QJ7GZN |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50195413
(CHEMBL223345 | N-(4-(4-benzylpiperazin-1-yl)benzyl...)Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN(CCCC)CCCC)Cc1ccc(cc1)N1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C40H58N4O/c1-4-7-11-14-35-17-21-38(22-18-35)40(45)44(32-27-41(25-8-5-2)26-9-6-3)34-37-19-23-39(24-20-37)43-30-28-42(29-31-43)33-36-15-12-10-13-16-36/h10,12-13,15-24H,4-9,11,14,25-34H2,1-3H3 | PDB
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| n/a | n/a | 646 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PM2 by FRET assay |
Bioorg Med Chem Lett 16: 6194-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.027
BindingDB Entry DOI: 10.7270/Q2QJ7GZN |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50195411
(CHEMBL436306 | N-(4-(1H-indol-1-yl)benzyl)-N-(2-(d...)Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN(CCCC)CCCC)Cc1ccc(cc1)-n1ccc2ccccc12 Show InChI InChI=1S/C37H49N3O/c1-4-7-10-13-31-16-20-34(21-17-31)37(41)39(29-28-38(25-8-5-2)26-9-6-3)30-32-18-22-35(23-19-32)40-27-24-33-14-11-12-15-36(33)40/h11-12,14-24,27H,4-10,13,25-26,28-30H2,1-3H3 | PDB
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| n/a | n/a | 670 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PM2 by FRET assay |
Bioorg Med Chem Lett 16: 6194-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.027
BindingDB Entry DOI: 10.7270/Q2QJ7GZN |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50195375
(CHEMBL387156 | N-(2-(dibutylamino)ethyl)-4-pentyl-...)Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN(CCCC)CCCC)Cc1ccc(nc1)-c1ccccn1 Show InChI InChI=1S/C33H46N4O/c1-4-7-10-13-28-15-18-30(19-16-28)33(38)37(25-24-36(22-8-5-2)23-9-6-3)27-29-17-20-32(35-26-29)31-14-11-12-21-34-31/h11-12,14-21,26H,4-10,13,22-25,27H2,1-3H3 | PDB
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PC cid
PC sid
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Similars
| Article
PubMed
| n/a | n/a | 736 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PM2 by FRET assay |
Bioorg Med Chem Lett 16: 6194-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.027
BindingDB Entry DOI: 10.7270/Q2QJ7GZN |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50195421
(CHEMBL219776 | N-(4-(diethylamino)benzyl)-N-(2-(di...)Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN(CCCC)CCCC)Cc1ccc(cc1)N(CC)CC Show InChI InChI=1S/C33H53N3O/c1-6-11-14-15-29-16-20-31(21-17-29)33(37)36(27-26-34(24-12-7-2)25-13-8-3)28-30-18-22-32(23-19-30)35(9-4)10-5/h16-23H,6-15,24-28H2,1-5H3 | PDB
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PC sid
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PubMed
| n/a | n/a | 1.49E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PM2 by FRET assay |
Bioorg Med Chem Lett 16: 6194-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.027
BindingDB Entry DOI: 10.7270/Q2QJ7GZN |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50195399
(CHEMBL222895 | N-(4-(benzo[d][1,3]dioxol-5-yl)benz...)Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN(C(C)C)C(C)C)Cc1ccc(cc1)-c1ccc2OCOc2c1 Show InChI InChI=1S/C34H44N2O3/c1-6-7-8-9-27-10-16-30(17-11-27)34(37)35(20-21-36(25(2)3)26(4)5)23-28-12-14-29(15-13-28)31-18-19-32-33(22-31)39-24-38-32/h10-19,22,25-26H,6-9,20-21,23-24H2,1-5H3 | PDB
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PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PM2 by FRET assay |
Bioorg Med Chem Lett 16: 6194-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.027
BindingDB Entry DOI: 10.7270/Q2QJ7GZN |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50195405
(CHEMBL373671 | N-(4-(benzo[d][1,3]dioxol-5-yl)benz...)Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN(CC)CC)Cc1ccc(cc1)-c1ccc2OCOc2c1 Show InChI InChI=1S/C32H40N2O3/c1-4-7-8-9-25-10-16-28(17-11-25)32(35)34(21-20-33(5-2)6-3)23-26-12-14-27(15-13-26)29-18-19-30-31(22-29)37-24-36-30/h10-19,22H,4-9,20-21,23-24H2,1-3H3 | PDB
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| n/a | n/a | 1.52E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PM2 by FRET assay |
Bioorg Med Chem Lett 16: 6194-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.027
BindingDB Entry DOI: 10.7270/Q2QJ7GZN |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50195395
(CHEMBL221276 | N-(1-benzylpiperidin-4-yl)-4-pentyl...)Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCCc1ccccc1)C1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C33H42N2O/c1-2-3-6-12-29-18-20-31(21-19-29)33(36)35(24-11-17-28-13-7-4-8-14-28)32-22-25-34(26-23-32)27-30-15-9-5-10-16-30/h4-5,7-10,13-16,18-21,32H,2-3,6,11-12,17,22-27H2,1H3 | PDB
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| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PM2 by FRET assay |
Bioorg Med Chem Lett 16: 6194-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.027
BindingDB Entry DOI: 10.7270/Q2QJ7GZN |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50195414
(CHEMBL375835 | N-(4-(pyridin-4-ylamino)benzyl)-N-(...)Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN(CCCC)CCCC)Cc1ccc(Nc2ccncc2)cc1 Show InChI InChI=1S/C34H48N4O/c1-4-7-10-11-29-12-16-31(17-13-29)34(39)38(27-26-37(24-8-5-2)25-9-6-3)28-30-14-18-32(19-15-30)36-33-20-22-35-23-21-33/h12-23H,4-11,24-28H2,1-3H3,(H,35,36) | PDB
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| n/a | n/a | 1.82E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PM2 by FRET assay |
Bioorg Med Chem Lett 16: 6194-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.027
BindingDB Entry DOI: 10.7270/Q2QJ7GZN |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50195410
(CHEMBL222722 | N-((5-(benzo[d][1,3]dioxol-5-yl)pyr...)Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN(CCCC)CCCC)Cc1ccc(cn1)-c1ccc2OCOc2c1 Show InChI InChI=1S/C35H47N3O3/c1-4-7-10-11-28-12-14-29(15-13-28)35(39)38(23-22-37(20-8-5-2)21-9-6-3)26-32-18-16-31(25-36-32)30-17-19-33-34(24-30)41-27-40-33/h12-19,24-25H,4-11,20-23,26-27H2,1-3H3 | PDB
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PC sid
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| Article
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| n/a | n/a | 1.91E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PM2 by FRET assay |
Bioorg Med Chem Lett 16: 6194-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.027
BindingDB Entry DOI: 10.7270/Q2QJ7GZN |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50195401
(CHEMBL434748 | N-(2-(dibutylamino)ethyl)-4-pentyl-...)Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN(CCCC)CCCC)Cc1ccc(nc1)-c1cncnc1 Show InChI InChI=1S/C32H45N5O/c1-4-7-10-11-27-12-15-29(16-13-27)32(38)37(21-20-36(18-8-5-2)19-9-6-3)25-28-14-17-31(35-22-28)30-23-33-26-34-24-30/h12-17,22-24,26H,4-11,18-21,25H2,1-3H3 | PDB
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| n/a | n/a | 2.23E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PM2 by FRET assay |
Bioorg Med Chem Lett 16: 6194-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.027
BindingDB Entry DOI: 10.7270/Q2QJ7GZN |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50195403
(CHEMBL424758 | N-(2-(dibutylamino)ethyl)-4-pentyl-...)Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN(CCCC)CCCC)Cc1ccc(cn1)-c1ccccc1 Show InChI InChI=1S/C34H47N3O/c1-4-7-11-14-29-17-19-31(20-18-29)34(38)37(26-25-36(23-8-5-2)24-9-6-3)28-33-22-21-32(27-35-33)30-15-12-10-13-16-30/h10,12-13,15-22,27H,4-9,11,14,23-26,28H2,1-3H3 | PDB
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PubMed
| n/a | n/a | 2.35E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PM2 by FRET assay |
Bioorg Med Chem Lett 16: 6194-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.027
BindingDB Entry DOI: 10.7270/Q2QJ7GZN |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50195391
(CHEMBL220516 | N-(4-(4-methylpiperazin-1-yl)benzyl...)Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN(CCCC)CCCC)Cc1ccc(cc1)N1CCN(C)CC1 Show InChI InChI=1S/C34H54N4O/c1-5-8-11-12-30-13-17-32(18-14-30)34(39)38(28-25-36(21-9-6-2)22-10-7-3)29-31-15-19-33(20-16-31)37-26-23-35(4)24-27-37/h13-20H,5-12,21-29H2,1-4H3 | PDB
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Similars
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PubMed
| n/a | n/a | 2.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PM2 by FRET assay |
Bioorg Med Chem Lett 16: 6194-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.027
BindingDB Entry DOI: 10.7270/Q2QJ7GZN |
More data for this
Ligand-Target Pair | |
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