Found 5 hits of ic50 data for polymerid = 5078,5104 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 |
|---|
Soluble acetylcholine receptor
(Aplysia Californica) | BDBM50139128
(CHEMBL3758658)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)CN)C(=O)N[C@@]([H])(CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCCN)NC2=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@@]2([H])C(=O)N2CCC[C@@]2([H])C(=O)N1 |r| Show InChI InChI=1S/C70H107N19O21S4/c1-34(2)23-40-58(97)80-42(26-53(73)92)60(99)82-44(27-54(74)93)68(107)87-20-8-12-50(87)65(104)77-39(11-6-7-19-71)57(96)79-41(25-37-15-17-38(91)18-16-37)59(98)86-49(70(109)110)33-114-113-32-48-64(103)83-45(29-90)61(100)81-43(24-35(3)4)67(106)89-22-10-14-52(89)69(108)88-21-9-13-51(88)66(105)85-47(62(101)75-36(5)56(95)78-40)31-112-111-30-46(63(102)84-48)76-55(94)28-72/h15-18,34-36,39-52,90-91H,6-14,19-33,71-72H2,1-5H3,(H2,73,92)(H2,74,93)(H,75,101)(H,76,94)(H,77,104)(H,78,95)(H,79,96)(H,80,97)(H,81,100)(H,82,99)(H,83,103)(H,84,102)(H,85,105)(H,86,98)(H,109,110)/t36-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-/m0/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
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 |
Ocean University of China
Curated by ChEMBL
| Assay Description
Displacement [125I]alpha-bungarotoxin from untagged Aplysia californica AChBP expressed in Sf9 cells by competitive binding assay |
Bioorg Med Chem Lett 26: 1296-300 (2016)
Article DOI: 10.1016/j.bmcl.2016.01.013
BindingDB Entry DOI: 10.7270/Q2V40X1C |
More data for this
Ligand-Target Pair | |
Soluble acetylcholine receptor
(Aplysia Californica) | BDBM50139123
(CHEMBL3758260)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](C)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)CN)C(=O)N1)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(O)=O |r| Show InChI InChI=1S/C52H77N19O16S4/c1-24-40(76)65-30(15-25-18-60-27-8-3-2-7-26(25)27)43(79)63-28(9-4-12-58-51(54)55)42(78)70-36(50(86)87)23-91-90-22-35-47(83)67-32(19-72)44(80)66-31(16-39(74)75)49(85)71-14-6-11-37(71)48(84)64-29(10-5-13-59-52(56)57)41(77)68-34(45(81)61-24)21-89-88-20-33(46(82)69-35)62-38(73)17-53/h2-3,7-8,18,24,28-37,60,72H,4-6,9-17,19-23,53H2,1H3,(H,61,81)(H,62,73)(H,63,79)(H,64,84)(H,65,76)(H,66,80)(H,67,83)(H,68,77)(H,69,82)(H,70,78)(H,74,75)(H,86,87)(H4,54,55,58)(H4,56,57,59)/t24-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-/m0/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Ocean University of China
Curated by ChEMBL
| Assay Description
Displacement [125I]alpha-bungarotoxin from untagged Aplysia californica AChBP expressed in Sf9 cells by competitive binding assay |
Bioorg Med Chem Lett 26: 1296-300 (2016)
Article DOI: 10.1016/j.bmcl.2016.01.013
BindingDB Entry DOI: 10.7270/Q2V40X1C |
More data for this
Ligand-Target Pair | |
Acetylcholine-binding protein
(Lymnaea stagnalis) | BDBM50520724
(CHEMBL4559828)Show InChI InChI=1S/C18H20Cl2N2O/c19-16-4-3-14(10-17(16)20)11-18(5-8-21-9-6-18)13-23-15-2-1-7-22-12-15/h1-4,7,10,12,21H,5-6,8-9,11,13H2 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 106 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine-binding protein incubated for 60 mins followed by 3 hrs incubation in dark condi... |
Eur J Med Chem 160: 37-48 (2018)
Article DOI: 10.1016/j.ejmech.2018.09.073
BindingDB Entry DOI: 10.7270/Q2QV3QXP |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Acetylcholine-binding protein
(Lymnaea stagnalis) | BDBM50590141
(CHEMBL5176133)Show SMILES CCCC[C@@H]1N[C@@H](CO)C(=O)NCC(=O)N[C@H]2CSSC[C@@H]3NC(=O)[C@@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](Cc4cnc[nH]4)NC(=O)CNC(=O)[C@@H]4CSSC[C@H](NC(=O)[C@@H]5CCCN5C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H]5CCCN5C(=O)CN)C(=O)N[C@@H](CO)C(=O)N4)NC(=O)[C@@H](NC3=O)[C@@H](C)O)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)N[C@@H](CCCC)C(=O)NC2=O)[C@@H](C)O)C(O)=O)C(=O)NC1=O)C(C)C |r| | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d2md00188h
BindingDB Entry DOI: 10.7270/Q2FF3X9G |
More data for this
Ligand-Target Pair | |
Acetylcholine-binding protein
(Lymnaea stagnalis) | BDBM50590140
(CHEMBL5202162)Show SMILES CCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@H]1CSSC[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCC)NC(=O)[C@H](CO)NC(=O)CNC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N3)NC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC2=O)C(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(O)=O)[C@@H](C)O |r| | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d2md00188h
BindingDB Entry DOI: 10.7270/Q2FF3X9G |
More data for this
Ligand-Target Pair | |
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