Found 4 hits Enz. Inhib. hit(s) with Target = 'Apical membrane antigen 1' 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 |
|---|
Apical membrane antigen 1
(Plasmodium falciparum (isolate 3D7)) | BDBM50059081
(CHEMBL3393120)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C115H175N27O25S/c1-13-69(10)95(112(164)138-82(53-66(4)5)103(155)131-80(114(166)167)41-27-29-48-117)141-107(159)87(59-75-60-121-64-124-75)135-101(153)79(46-51-168-12)130-98(150)77(42-30-49-122-115(119)120)129-108(160)89(62-143)126-92(145)61-123-97(149)83(55-71-32-18-14-19-33-71)132-99(151)76(40-26-28-47-116)128-109(161)90(63-144)140-106(158)86(58-74-38-24-17-25-39-74)134-104(156)81(52-65(2)3)136-110(162)91-43-31-50-142(91)113(165)88(54-67(6)7)139-105(157)85(57-73-36-22-16-23-37-73)133-100(152)78(44-45-93(146)147)127-96(148)70(11)125-102(154)84(56-72-34-20-15-21-35-72)137-111(163)94(118)68(8)9/h14-25,32-39,60,64-70,76-91,94-95,143-144H,13,26-31,40-59,61-63,116-118H2,1-12H3,(H,121,124)(H,123,149)(H,125,154)(H,126,145)(H,127,148)(H,128,161)(H,129,160)(H,130,150)(H,131,155)(H,132,151)(H,133,152)(H,134,156)(H,135,153)(H,136,162)(H,137,163)(H,138,164)(H,139,157)(H,140,158)(H,141,159)(H,146,147)(H,166,167)(H4,119,120,122)/t69-,70-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,94-,95-/m0/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a |
La Trobe University
Curated by ChEMBL
| Assay Description
Binding affinity to Plasmodium falciparum 3D7 AMA1 F367W mutant expressed in Escherichia coli BL21(DE3) at 1 and 3 mM by SPR analysis |
J Med Chem 57: 6419-27 (2014)
Article DOI: 10.1021/jm500390g
BindingDB Entry DOI: 10.7270/Q2Q81FQ2 |
More data for this
Ligand-Target Pair | |
Apical membrane antigen 1
(Plasmodium falciparum (isolate 3D7)) | BDBM50059081
(CHEMBL3393120)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C115H175N27O25S/c1-13-69(10)95(112(164)138-82(53-66(4)5)103(155)131-80(114(166)167)41-27-29-48-117)141-107(159)87(59-75-60-121-64-124-75)135-101(153)79(46-51-168-12)130-98(150)77(42-30-49-122-115(119)120)129-108(160)89(62-143)126-92(145)61-123-97(149)83(55-71-32-18-14-19-33-71)132-99(151)76(40-26-28-47-116)128-109(161)90(63-144)140-106(158)86(58-74-38-24-17-25-39-74)134-104(156)81(52-65(2)3)136-110(162)91-43-31-50-142(91)113(165)88(54-67(6)7)139-105(157)85(57-73-36-22-16-23-37-73)133-100(152)78(44-45-93(146)147)127-96(148)70(11)125-102(154)84(56-72-34-20-15-21-35-72)137-111(163)94(118)68(8)9/h14-25,32-39,60,64-70,76-91,94-95,143-144H,13,26-31,40-59,61-63,116-118H2,1-12H3,(H,121,124)(H,123,149)(H,125,154)(H,126,145)(H,127,148)(H,128,161)(H,129,160)(H,130,150)(H,131,155)(H,132,151)(H,133,152)(H,134,156)(H,135,153)(H,136,162)(H,137,163)(H,138,164)(H,139,157)(H,140,158)(H,141,159)(H,146,147)(H,166,167)(H4,119,120,122)/t69-,70-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,94-,95-/m0/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a |
La Trobe University
Curated by ChEMBL
| Assay Description
Binding affinity to Plasmodium falciparum 3D7 AMA1 (108 to 434) expressed in Escherichia coli BL21(DE3) by SPR analysis |
J Med Chem 57: 6419-27 (2014)
Article DOI: 10.1021/jm500390g
BindingDB Entry DOI: 10.7270/Q2Q81FQ2 |
More data for this
Ligand-Target Pair | |
Apical membrane antigen 1
(Plasmodium falciparum (isolate 3D7)) | BDBM50059081
(CHEMBL3393120)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C115H175N27O25S/c1-13-69(10)95(112(164)138-82(53-66(4)5)103(155)131-80(114(166)167)41-27-29-48-117)141-107(159)87(59-75-60-121-64-124-75)135-101(153)79(46-51-168-12)130-98(150)77(42-30-49-122-115(119)120)129-108(160)89(62-143)126-92(145)61-123-97(149)83(55-71-32-18-14-19-33-71)132-99(151)76(40-26-28-47-116)128-109(161)90(63-144)140-106(158)86(58-74-38-24-17-25-39-74)134-104(156)81(52-65(2)3)136-110(162)91-43-31-50-142(91)113(165)88(54-67(6)7)139-105(157)85(57-73-36-22-16-23-37-73)133-100(152)78(44-45-93(146)147)127-96(148)70(11)125-102(154)84(56-72-34-20-15-21-35-72)137-111(163)94(118)68(8)9/h14-25,32-39,60,64-70,76-91,94-95,143-144H,13,26-31,40-59,61-63,116-118H2,1-12H3,(H,121,124)(H,123,149)(H,125,154)(H,126,145)(H,127,148)(H,128,161)(H,129,160)(H,130,150)(H,131,155)(H,132,151)(H,133,152)(H,134,156)(H,135,153)(H,136,162)(H,137,163)(H,138,164)(H,139,157)(H,140,158)(H,141,159)(H,146,147)(H,166,167)(H4,119,120,122)/t69-,70-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,94-,95-/m0/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a |
La Trobe University
Curated by ChEMBL
| Assay Description
Binding affinity to Plasmodium falciparum 3D7 AMA1 373W insertion mutant expressed in Escherichia coli BL21(DE3) by SPR analysis |
J Med Chem 57: 6419-27 (2014)
Article DOI: 10.1021/jm500390g
BindingDB Entry DOI: 10.7270/Q2Q81FQ2 |
More data for this
Ligand-Target Pair | |
Apical membrane antigen 1
(Plasmodium falciparum (isolate 3D7)) | BDBM50059082
(CHEMBL3393117)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CS)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CS)C(O)=O |r| Show InChI InChI=1S/C63H102N18O19S3/c1-6-31(2)47(57(94)76-42(30-102)62(99)100)77-54(91)38(19-21-46(66)86)70-52(89)37(18-20-45(65)85)72-56(93)43-16-11-24-80(43)61(98)44-17-12-25-81(44)60(97)41(28-82)75-53(90)39(22-26-103-5)71-51(88)36(15-10-23-69-63(67)68)73-58(95)48(32(3)83)79-59(96)49(33(4)84)78-55(92)40(74-50(87)35(64)29-101)27-34-13-8-7-9-14-34/h7-9,13-14,31-33,35-44,47-49,82-84,101-102H,6,10-12,15-30,64H2,1-5H3,(H2,65,85)(H2,66,86)(H,70,89)(H,71,88)(H,72,93)(H,73,95)(H,74,87)(H,75,90)(H,76,94)(H,77,91)(H,78,92)(H,79,96)(H,99,100)(H4,67,68,69)/t31-,32+,33+,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,47-,48-,49-/m0/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 4.00E+4 | n/a | n/a | n/a | n/a | n/a |
La Trobe University
Curated by ChEMBL
| Assay Description
Binding affinity to Plasmodium falciparum 3D7 AMA1 (108 to 434) expressed in Escherichia coli BL21(DE3) by SPR analysis |
J Med Chem 57: 6419-27 (2014)
Article DOI: 10.1021/jm500390g
BindingDB Entry DOI: 10.7270/Q2Q81FQ2 |
More data for this
Ligand-Target Pair | |
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