Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholine-binding protein' and Ligand = 'BDBM50253821' 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 |
Acetylcholine-binding protein
(Lymnaea stagnalis) | BDBM50253821
![PNG](/data/jpeg/tenK5025/BindingDB_50253821.png) ((1R,6R,9S,12S,15S,21S,24S,27S,30S,33R,36S,42S,48S,...)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CSSC[C@H](NC(=O)CN)C(=O)N2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C1=O)C(O)=O |r| Show InChI InChI=1S/C65H94N18O23S4/c1-29(2)18-37-62(102)83-17-7-10-46(83)64(104)82-16-6-9-45(82)61(101)79-41-26-108-107-25-40(71-49(88)23-66)58(98)78-42(59(99)77-39(24-84)56(96)75-37)27-109-110-28-43(65(105)106)80-53(93)34(19-32-11-13-33(85)14-12-32)73-55(95)36(22-50(89)90)74-60(100)44-8-5-15-81(44)63(103)38(21-48(68)87)76-54(94)35(20-47(67)86)72-52(92)31(4)69-51(91)30(3)70-57(41)97/h11-14,29-31,34-46,84-85H,5-10,15-28,66H2,1-4H3,(H2,67,86)(H2,68,87)(H,69,91)(H,70,97)(H,71,88)(H,72,92)(H,73,95)(H,74,100)(H,75,96)(H,76,94)(H,77,99)(H,78,98)(H,79,101)(H,80,93)(H,89,90)(H,105,106)/t30-,31-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 124 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description Displacement of [125I]alpha-bungarotoxin from Lymnaea stagnalis AChBP |
J Med Chem 51: 5575-84 (2008)
Article DOI: 10.1021/jm800278k BindingDB Entry DOI: 10.7270/Q2MG7PBF |
More data for this Ligand-Target Pair | |
Acetylcholine-binding protein
(Lymnaea stagnalis) | BDBM50253821
![PNG](/data/jpeg/tenK5025/BindingDB_50253821.png) ((1R,6R,9S,12S,15S,21S,24S,27S,30S,33R,36S,42S,48S,...)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CSSC[C@H](NC(=O)CN)C(=O)N2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C1=O)C(O)=O |r| Show InChI InChI=1S/C65H94N18O23S4/c1-29(2)18-37-62(102)83-17-7-10-46(83)64(104)82-16-6-9-45(82)61(101)79-41-26-108-107-25-40(71-49(88)23-66)58(98)78-42(59(99)77-39(24-84)56(96)75-37)27-109-110-28-43(65(105)106)80-53(93)34(19-32-11-13-33(85)14-12-32)73-55(95)36(22-50(89)90)74-60(100)44-8-5-15-81(44)63(103)38(21-48(68)87)76-54(94)35(20-47(67)86)72-52(92)31(4)69-51(91)30(3)70-57(41)97/h11-14,29-31,34-46,84-85H,5-10,15-28,66H2,1-4H3,(H2,67,86)(H2,68,87)(H,69,91)(H,70,97)(H,71,88)(H,72,92)(H,73,95)(H,74,100)(H,75,96)(H,76,94)(H,77,99)(H,78,98)(H,79,101)(H,80,93)(H,89,90)(H,105,106)/t30-,31-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| <1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00182e BindingDB Entry DOI: 10.7270/Q27W6H7C |
More data for this Ligand-Target Pair | |