Found 24 hits of Enzyme Inhibition Constant Data 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 |
|---|
Subtilisin-like protease 1
(Plasmodium falciparum) | BDBM50100887
(CHEMBL3325857)Show SMILES COc1ccc(Nc2cc(C)c3cc(NC(=O)c4cc5ccccc5[nH]4)ccc3n2)cc1 Show InChI InChI=1S/C26H22N4O2/c1-16-13-25(27-18-7-10-20(32-2)11-8-18)30-23-12-9-19(15-21(16)23)28-26(31)24-14-17-5-3-4-6-22(17)29-24/h3-15,29H,1-2H3,(H,27,30)(H,28,31) | PDB
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| 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Institute of Organic Synthesis
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum SUB1 |
Bioorg Med Chem Lett 24: 4486-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.086
BindingDB Entry DOI: 10.7270/Q2DJ5HDB |
More data for this
Ligand-Target Pair | |
Subtilisin-like protease 1
(Plasmodium falciparum) | BDBM50100888
(CHEMBL1873576)Show SMILES O=C(Nc1ccc(cc1)-c1nc2cc(NC(=O)c3ccccc3)ccc2[nH]1)c1ccccc1 Show InChI InChI=1S/C27H20N4O2/c32-26(19-7-3-1-4-8-19)28-21-13-11-18(12-14-21)25-30-23-16-15-22(17-24(23)31-25)29-27(33)20-9-5-2-6-10-20/h1-17H,(H,28,32)(H,29,33)(H,30,31) | PDB
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| 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Institute of Organic Synthesis
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum SUB1 |
Bioorg Med Chem Lett 24: 4486-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.086
BindingDB Entry DOI: 10.7270/Q2DJ5HDB |
More data for this
Ligand-Target Pair | |
Subtilisin-like protease 1
(Plasmodium falciparum) | BDBM50100890
(CHEMBL3325855)Show SMILES OC1Cc2c(O)cc3OC4(Oc5c(O)c(O)cc(O)c5C(C4O)c3c2OC1c1ccc(O)c(O)c1)c1ccc(O)c(O)c1 |THB:22:21:11.19.10:23.7.8| Show InChI InChI=1S/C30H24O13/c31-13-3-1-10(5-16(13)34)26-20(38)7-12-15(33)9-21-23(27(12)41-26)24-22-18(36)8-19(37)25(39)28(22)43-30(42-21,29(24)40)11-2-4-14(32)17(35)6-11/h1-6,8-9,20,24,26,29,31-40H,7H2 | PDB
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| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Institute of Organic Synthesis
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum SUB1 |
Bioorg Med Chem Lett 24: 4486-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.086
BindingDB Entry DOI: 10.7270/Q2DJ5HDB |
More data for this
Ligand-Target Pair | |
Subtilisin-like protease 1
(Plasmodium falciparum) | BDBM50100879
(CHEMBL3326334)Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)NC(C)C(=O)C(=O)NCCC(O)=O |r| Show InChI InChI=1S/C21H35N5O9/c1-6-10(2)16(25-13(5)28)20(34)26-17(12(4)27)19(33)23-9-14(29)24-11(3)18(32)21(35)22-8-7-15(30)31/h10-12,16-17,27H,6-9H2,1-5H3,(H,22,35)(H,23,33)(H,24,29)(H,25,28)(H,26,34)(H,30,31)/t10-,11?,12+,16-,17-/m0/s1 | PDB
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| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Institute of Organic Synthesis
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum SUB1 |
Bioorg Med Chem Lett 24: 4486-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.086
BindingDB Entry DOI: 10.7270/Q2DJ5HDB |
More data for this
Ligand-Target Pair | |
Subtilisin-like protease 1
(Plasmodium falciparum) | BDBM50100886
(CHEMBL3325858)Show SMILES Cl.CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)NC(C)C(=O)C(=O)NCCC(O)=O |r| Show InChI InChI=1S/C28H49N7O10.ClH/c1-7-14(2)21(34-25(42)19(33-18(6)37)10-8-9-12-29)26(43)35-22(17(5)36)27(44)32-16(4)24(41)31-15(3)23(40)28(45)30-13-11-20(38)39;/h14-17,19,21-22,36H,7-13,29H2,1-6H3,(H,30,45)(H,31,41)(H,32,44)(H,33,37)(H,34,42)(H,35,43)(H,38,39);1H/t14-,15?,16-,17+,19-,21-,22-;/m0./s1 | PDB
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| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Institute of Organic Synthesis
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum SUB1 |
Bioorg Med Chem Lett 24: 4486-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.086
BindingDB Entry DOI: 10.7270/Q2DJ5HDB |
More data for this
Ligand-Target Pair | |
Subtilisin-like protease 1
(Plasmodium falciparum) | BDBM50100698
(CHEMBL3326343)Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)NC(CC)C(=O)C(=O)NCCC(O)=O |r| Show InChI InChI=1S/C22H37N5O9/c1-6-11(3)17(25-13(5)29)21(35)27-18(12(4)28)20(34)24-10-15(30)26-14(7-2)19(33)22(36)23-9-8-16(31)32/h11-12,14,17-18,28H,6-10H2,1-5H3,(H,23,36)(H,24,34)(H,25,29)(H,26,30)(H,27,35)(H,31,32)/t11-,12+,14?,17-,18-/m0/s1 | PDB
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| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Institute of Organic Synthesis
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum SUB1 |
Bioorg Med Chem Lett 24: 4486-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.086
BindingDB Entry DOI: 10.7270/Q2DJ5HDB |
More data for this
Ligand-Target Pair | |
Subtilisin-like protease 1
(Plasmodium falciparum) | BDBM50100882
(CHEMBL3325862)Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)NC(C)C(=O)C(=O)NCCC(O)=O |r| Show InChI InChI=1S/C22H37N5O9/c1-7-10(2)16(26-14(6)29)20(34)27-17(13(5)28)21(35)25-12(4)19(33)24-11(3)18(32)22(36)23-9-8-15(30)31/h10-13,16-17,28H,7-9H2,1-6H3,(H,23,36)(H,24,33)(H,25,35)(H,26,29)(H,27,34)(H,30,31)/t10-,11?,12-,13+,16-,17-/m0/s1 | PDB
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| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Institute of Organic Synthesis
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum SUB1 |
Bioorg Med Chem Lett 24: 4486-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.086
BindingDB Entry DOI: 10.7270/Q2DJ5HDB |
More data for this
Ligand-Target Pair | |
Subtilisin-like protease 1
(Plasmodium falciparum) | BDBM50100885
(CHEMBL3325859)Show SMILES Cl.CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)NC(C)C(=O)C(=O)NCCCC(O)=O |r| Show InChI InChI=1S/C29H51N7O10.ClH/c1-7-15(2)22(35-26(43)20(34-19(6)38)11-8-9-13-30)27(44)36-23(18(5)37)28(45)33-17(4)25(42)32-16(3)24(41)29(46)31-14-10-12-21(39)40;/h15-18,20,22-23,37H,7-14,30H2,1-6H3,(H,31,46)(H,32,42)(H,33,45)(H,34,38)(H,35,43)(H,36,44)(H,39,40);1H/t15-,16?,17-,18+,20-,22-,23-;/m0./s1 | PDB
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| n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Institute of Organic Synthesis
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum SUB1 |
Bioorg Med Chem Lett 24: 4486-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.086
BindingDB Entry DOI: 10.7270/Q2DJ5HDB |
More data for this
Ligand-Target Pair | |
Subtilisin-like protease 1
(Plasmodium falciparum) | BDBM50100697
(CHEMBL3326344)Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)NC(CO)C(=O)C(=O)NCCCO |r| Show InChI InChI=1S/C21H37N5O9/c1-5-11(2)16(24-13(4)30)20(34)26-17(12(3)29)19(33)23-9-15(31)25-14(10-28)18(32)21(35)22-7-6-8-27/h11-12,14,16-17,27-29H,5-10H2,1-4H3,(H,22,35)(H,23,33)(H,24,30)(H,25,31)(H,26,34)/t11-,12+,14?,16-,17-/m0/s1 | PDB
UniProtKB/SwissProt
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Institute of Organic Synthesis
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum SUB1 |
Bioorg Med Chem Lett 24: 4486-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.086
BindingDB Entry DOI: 10.7270/Q2DJ5HDB |
More data for this
Ligand-Target Pair | |
Subtilisin-like protease 1
(Plasmodium falciparum) | BDBM50100696
(CHEMBL3326345)Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)NC(C(C)C)C(=O)C(=O)NCCC(O)=O |r| Show InChI InChI=1S/C23H39N5O9/c1-7-12(4)18(26-14(6)30)22(36)28-19(13(5)29)21(35)25-10-15(31)27-17(11(2)3)20(34)23(37)24-9-8-16(32)33/h11-13,17-19,29H,7-10H2,1-6H3,(H,24,37)(H,25,35)(H,26,30)(H,27,31)(H,28,36)(H,32,33)/t12-,13+,17?,18-,19-/m0/s1 | PDB
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| n/a | n/a | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Institute of Organic Synthesis
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum SUB1 |
Bioorg Med Chem Lett 24: 4486-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.086
BindingDB Entry DOI: 10.7270/Q2DJ5HDB |
More data for this
Ligand-Target Pair | |
Subtilisin-like protease 1
(Plasmodium falciparum) | BDBM50100705
(CHEMBL3326340)Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)NC(CCC(O)=O)C(=O)C(=O)NCCC(O)=O |r| Show InChI InChI=1S/C24H39N5O11/c1-6-11(2)18(27-14(5)31)22(38)29-19(13(4)30)23(39)26-12(3)21(37)28-15(7-8-16(32)33)20(36)24(40)25-10-9-17(34)35/h11-13,15,18-19,30H,6-10H2,1-5H3,(H,25,40)(H,26,39)(H,27,31)(H,28,37)(H,29,38)(H,32,33)(H,34,35)/t11-,12-,13+,15?,18-,19-/m0/s1 | PDB
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Institute of Organic Synthesis
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum SUB1 |
Bioorg Med Chem Lett 24: 4486-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.086
BindingDB Entry DOI: 10.7270/Q2DJ5HDB |
More data for this
Ligand-Target Pair | |
Subtilisin-like protease 1
(Plasmodium falciparum) | BDBM50100892
(CHEMBL3354605)Show SMILES Cl.CC[C@@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)NC(CCC(N)=O)C(=O)C(=O)NCCC(O)=O |r| Show InChI InChI=1S/C30H52N8O11.ClH/c1-6-15(2)23(37-27(46)20(35-18(5)40)9-7-8-13-31)28(47)38-24(17(4)39)29(48)34-16(3)26(45)36-19(10-11-21(32)41)25(44)30(49)33-14-12-22(42)43;/h15-17,19-20,23-24,39H,6-14,31H2,1-5H3,(H2,32,41)(H,33,49)(H,34,48)(H,35,40)(H,36,45)(H,37,46)(H,38,47)(H,42,43);1H/t15-,16+,17-,19?,20+,23+,24+;/m1./s1 | PDB
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| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Institute of Organic Synthesis
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum SUB1 |
Bioorg Med Chem Lett 24: 4486-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.086
BindingDB Entry DOI: 10.7270/Q2DJ5HDB |
More data for this
Ligand-Target Pair | |
Subtilisin-like protease 1
(Plasmodium falciparum) | BDBM50100884
(CHEMBL3325860)Show SMILES Cl.CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)NC(C)C(=O)C(=O)NCC(O)=O |r| Show InChI InChI=1S/C27H47N7O10.ClH/c1-7-13(2)20(33-24(41)18(32-17(6)36)10-8-9-11-28)25(42)34-21(16(5)35)26(43)31-15(4)23(40)30-14(3)22(39)27(44)29-12-19(37)38;/h13-16,18,20-21,35H,7-12,28H2,1-6H3,(H,29,44)(H,30,40)(H,31,43)(H,32,36)(H,33,41)(H,34,42)(H,37,38);1H/t13-,14?,15-,16+,18-,20-,21-;/m0./s1 | PDB
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| CHEMBL
PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Institute of Organic Synthesis
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum SUB1 |
Bioorg Med Chem Lett 24: 4486-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.086
BindingDB Entry DOI: 10.7270/Q2DJ5HDB |
More data for this
Ligand-Target Pair | |
Subtilisin-like protease 1
(Plasmodium falciparum) | BDBM50100889
(CHEMBL3325856)Show SMILES [H][C@]12CS[C@@H](CCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)Nc3ccc4c(Cl)c(OCCc5ccccc5)oc(=O)c4c3)[C@@]1([H])NC(=O)N2 |r| Show InChI InChI=1S/C39H50ClN5O7S/c40-35-28-19-18-27(24-29(28)37(49)52-38(35)51-23-20-26-12-4-1-5-13-26)43-34(48)17-7-3-11-22-41-32(46)15-6-2-10-21-42-33(47)16-9-8-14-31-36-30(25-53-31)44-39(50)45-36/h1,4-5,12-13,18-19,24,30-31,36H,2-3,6-11,14-17,20-23,25H2,(H,41,46)(H,42,47)(H,43,48)(H2,44,45,50)/t30-,31-,36-/m0/s1 | PDB
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| Article
PubMed
| n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Institute of Organic Synthesis
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum SUB1 |
Bioorg Med Chem Lett 24: 4486-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.086
BindingDB Entry DOI: 10.7270/Q2DJ5HDB |
More data for this
Ligand-Target Pair | |
Subtilisin-like protease 1
(Plasmodium falciparum) | BDBM50100737
(CHEMBL3326338)Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)NC(C(C)C)C(=O)C(=O)NCCC(O)=O |r| Show InChI InChI=1S/C24H41N5O9/c1-8-12(4)18(27-15(7)31)22(36)29-19(14(6)30)23(37)26-13(5)21(35)28-17(11(2)3)20(34)24(38)25-10-9-16(32)33/h11-14,17-19,30H,8-10H2,1-7H3,(H,25,38)(H,26,37)(H,27,31)(H,28,35)(H,29,36)(H,32,33)/t12-,13-,14+,17?,18-,19-/m0/s1 | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Institute of Organic Synthesis
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum SUB1 |
Bioorg Med Chem Lett 24: 4486-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.086
BindingDB Entry DOI: 10.7270/Q2DJ5HDB |
More data for this
Ligand-Target Pair | |
Subtilisin-like protease 1
(Plasmodium falciparum) | BDBM50100878
(CHEMBL3326335)Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NC(C)C(=O)C(=O)NCCC(O)=O |r| Show InChI InChI=1S/C21H35N5O8/c1-7-10(2)16(26-14(6)27)20(33)25-13(5)19(32)24-12(4)18(31)23-11(3)17(30)21(34)22-9-8-15(28)29/h10-13,16H,7-9H2,1-6H3,(H,22,34)(H,23,31)(H,24,32)(H,25,33)(H,26,27)(H,28,29)/t10-,11?,12-,13-,16-/m0/s1 | PDB
UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Institute of Organic Synthesis
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum SUB1 |
Bioorg Med Chem Lett 24: 4486-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.086
BindingDB Entry DOI: 10.7270/Q2DJ5HDB |
More data for this
Ligand-Target Pair | |
Subtilisin-like protease 1
(Plasmodium falciparum) | BDBM50100883
(CHEMBL3325861)Show SMILES Cl.CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)NC(C)C(=O)C(=O)NCCC(N)=O |r| Show InChI InChI=1S/C28H50N8O9.ClH/c1-7-14(2)21(35-25(42)19(34-18(6)38)10-8-9-12-29)26(43)36-22(17(5)37)27(44)33-16(4)24(41)32-15(3)23(40)28(45)31-13-11-20(30)39;/h14-17,19,21-22,37H,7-13,29H2,1-6H3,(H2,30,39)(H,31,45)(H,32,41)(H,33,44)(H,34,38)(H,35,42)(H,36,43);1H/t14-,15?,16-,17+,19-,21-,22-;/m0./s1 | PDB
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UniChem
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| n/a | n/a | 3.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Institute of Organic Synthesis
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum SUB1 |
Bioorg Med Chem Lett 24: 4486-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.086
BindingDB Entry DOI: 10.7270/Q2DJ5HDB |
More data for this
Ligand-Target Pair | |
Subtilisin-like protease 1
(Plasmodium falciparum) | BDBM50100701
(CHEMBL3326342)Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)NC(C[C@@H]1CCNC1=O)C(=O)C(=O)NCCC(O)=O |r| Show InChI InChI=1S/C26H42N6O10/c1-6-12(2)19(30-15(5)34)24(40)32-20(14(4)33)25(41)29-13(3)22(38)31-17(11-16-7-9-27-23(16)39)21(37)26(42)28-10-8-18(35)36/h12-14,16-17,19-20,33H,6-11H2,1-5H3,(H,27,39)(H,28,42)(H,29,41)(H,30,34)(H,31,38)(H,32,40)(H,35,36)/t12-,13-,14+,16-,17?,19-,20-/m0/s1 | PDB
UniProtKB/SwissProt
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UniChem
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| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Institute of Organic Synthesis
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum SUB1 |
Bioorg Med Chem Lett 24: 4486-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.086
BindingDB Entry DOI: 10.7270/Q2DJ5HDB |
More data for this
Ligand-Target Pair | |
Subtilisin-like protease 1
(Plasmodium falciparum) | BDBM50100733
(CHEMBL3326339)Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)NC(C(=O)C(=O)NCCC(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C27H39N5O9/c1-6-14(2)20(30-17(5)34)25(39)31-21(16(4)33)26(40)29-15(3)24(38)32-22(18-10-8-7-9-11-18)23(37)27(41)28-13-12-19(35)36/h7-11,14-16,20-22,33H,6,12-13H2,1-5H3,(H,28,41)(H,29,40)(H,30,34)(H,31,39)(H,32,38)(H,35,36)/t14-,15-,16+,20-,21-,22?/m0/s1 | PDB
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| CHEMBL
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UniChem
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PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Institute of Organic Synthesis
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum SUB1 |
Bioorg Med Chem Lett 24: 4486-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.086
BindingDB Entry DOI: 10.7270/Q2DJ5HDB |
More data for this
Ligand-Target Pair | |
Subtilisin-like protease 1
(Plasmodium falciparum) | BDBM50100877
(CHEMBL3326336)Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(C)=O)C(=O)NCC(=O)NC(C)C(=O)C(=O)NCCC(O)=O |r| Show InChI InChI=1S/C18H29N5O9/c1-8(15(29)18(32)19-6-5-13(27)28)22-12(26)7-20-17(31)14(10(3)24)23-16(30)9(2)21-11(4)25/h8-10,14,24H,5-7H2,1-4H3,(H,19,32)(H,20,31)(H,21,25)(H,22,26)(H,23,30)(H,27,28)/t8?,9-,10+,14-/m0/s1 | PDB
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Institute of Organic Synthesis
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum SUB1 |
Bioorg Med Chem Lett 24: 4486-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.086
BindingDB Entry DOI: 10.7270/Q2DJ5HDB |
More data for this
Ligand-Target Pair | |
Subtilisin-like protease 1
(Plasmodium falciparum) | BDBM50100702
(CHEMBL3326341)Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)NC(CCC(=O)N(C)C)C(=O)C(=O)NCCC(O)=O |r| Show InChI InChI=1S/C26H44N6O10/c1-8-13(2)20(29-16(5)34)24(40)31-21(15(4)33)25(41)28-14(3)23(39)30-17(9-10-18(35)32(6)7)22(38)26(42)27-12-11-19(36)37/h13-15,17,20-21,33H,8-12H2,1-7H3,(H,27,42)(H,28,41)(H,29,34)(H,30,39)(H,31,40)(H,36,37)/t13-,14-,15+,17?,20-,21-/m0/s1 | PDB
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| CHEMBL
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UniChem
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PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Institute of Organic Synthesis
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum SUB1 |
Bioorg Med Chem Lett 24: 4486-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.086
BindingDB Entry DOI: 10.7270/Q2DJ5HDB |
More data for this
Ligand-Target Pair | |
Subtilisin-like protease 1
(Plasmodium falciparum) | BDBM50100881
(CHEMBL3325863)Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NC(C)(C)C(=O)NC(C)C(=O)C(=O)NCCC(O)=O |r| Show InChI InChI=1S/C23H39N5O9/c1-8-11(2)16(26-14(5)30)19(34)27-17(13(4)29)20(35)28-23(6,7)22(37)25-12(3)18(33)21(36)24-10-9-15(31)32/h11-13,16-17,29H,8-10H2,1-7H3,(H,24,36)(H,25,37)(H,26,30)(H,27,34)(H,28,35)(H,31,32)/t11-,12?,13+,16-,17-/m0/s1 | PDB
UniProtKB/SwissProt
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UniChem
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PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Institute of Organic Synthesis
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum SUB1 |
Bioorg Med Chem Lett 24: 4486-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.086
BindingDB Entry DOI: 10.7270/Q2DJ5HDB |
More data for this
Ligand-Target Pair | |
Subtilisin-like protease 1
(Plasmodium falciparum) | BDBM50100880
(CHEMBL3326333)Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NC1(CC1)C(=O)NC(C)C(=O)C(=O)NCCC(O)=O |r| Show InChI InChI=1S/C23H37N5O9/c1-6-11(2)16(26-14(5)30)19(34)27-17(13(4)29)20(35)28-23(8-9-23)22(37)25-12(3)18(33)21(36)24-10-7-15(31)32/h11-13,16-17,29H,6-10H2,1-5H3,(H,24,36)(H,25,37)(H,26,30)(H,27,34)(H,28,35)(H,31,32)/t11-,12?,13+,16-,17-/m0/s1 | PDB
UniProtKB/SwissProt
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AffyNet
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PC cid
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UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Institute of Organic Synthesis
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum SUB1 |
Bioorg Med Chem Lett 24: 4486-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.086
BindingDB Entry DOI: 10.7270/Q2DJ5HDB |
More data for this
Ligand-Target Pair | |
Subtilisin-like protease 1
(Plasmodium falciparum) | BDBM50100876
(CHEMBL3326337)Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCC(O)=O |r| Show InChI InChI=1S/C28H41N5O9/c1-6-15(2)22(31-18(5)35)26(40)33-23(17(4)34)27(41)30-16(3)25(39)32-20(14-19-10-8-7-9-11-19)24(38)28(42)29-13-12-21(36)37/h7-11,15-17,20,22-23,34H,6,12-14H2,1-5H3,(H,29,42)(H,30,41)(H,31,35)(H,32,39)(H,33,40)(H,36,37)/t15-,16-,17+,20?,22-,23-/m0/s1 | PDB
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Institute of Organic Synthesis
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum SUB1 |
Bioorg Med Chem Lett 24: 4486-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.086
BindingDB Entry DOI: 10.7270/Q2DJ5HDB |
More data for this
Ligand-Target Pair | |
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