Found 3 hits for monomerid = 50516314 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Neuronal acetylcholine receptor subunit alpha-3/beta-2
(Rattus norvegicus (Rat)) | BDBM50516314
(CHEMBL4462168)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2)[C@@H](C)O)C(C)C |r| Show InChI InChI=1S/C66H100N22O21S4/c1-29(2)15-36-55(98)82-41(52(69)95)23-110-112-25-43-59(102)81-40(22-89)57(100)80-39(17-34-21-71-28-73-34)66(109)87-13-7-9-45(87)61(104)74-31(5)53(96)83-44(26-113-111-24-42(58(101)84-43)75-48(92)19-67)60(103)86-51(32(6)90)64(107)85-50(30(3)4)63(106)78-37(18-47(68)91)56(99)79-38(16-33-20-70-27-72-33)65(108)88-14-8-10-46(88)62(105)76-35(54(97)77-36)11-12-49(93)94/h20-21,27-32,35-46,50-51,89-90H,7-19,22-26,67H2,1-6H3,(H2,68,91)(H2,69,95)(H,70,72)(H,71,73)(H,74,104)(H,75,92)(H,76,105)(H,77,97)(H,78,106)(H,79,99)(H,80,100)(H,81,102)(H,82,98)(H,83,96)(H,84,101)(H,85,107)(H,86,103)(H,93,94)/t31-,32+,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,50-,51-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Veterans Affairs Medical Center
Curated by ChEMBL
| Assay Description Antagonist activity at rat alpha3beta2 nACHR expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced response at -70 mV holding pot... |
J Med Chem 62: 6262-6275 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00566 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-4
(Rattus norvegicus (Rat)) | BDBM50516314
(CHEMBL4462168)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2)[C@@H](C)O)C(C)C |r| Show InChI InChI=1S/C66H100N22O21S4/c1-29(2)15-36-55(98)82-41(52(69)95)23-110-112-25-43-59(102)81-40(22-89)57(100)80-39(17-34-21-71-28-73-34)66(109)87-13-7-9-45(87)61(104)74-31(5)53(96)83-44(26-113-111-24-42(58(101)84-43)75-48(92)19-67)60(103)86-51(32(6)90)64(107)85-50(30(3)4)63(106)78-37(18-47(68)91)56(99)79-38(16-33-20-70-27-72-33)65(108)88-14-8-10-46(88)62(105)76-35(54(97)77-36)11-12-49(93)94/h20-21,27-32,35-46,50-51,89-90H,7-19,22-26,67H2,1-6H3,(H2,68,91)(H2,69,95)(H,70,72)(H,71,73)(H,74,104)(H,75,92)(H,76,105)(H,77,97)(H,78,106)(H,79,99)(H,80,100)(H,81,102)(H,82,98)(H,83,96)(H,84,101)(H,85,107)(H,86,103)(H,93,94)/t31-,32+,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,50-,51-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 95 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
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More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-4
(Homo sapiens (Human)) | BDBM50516314
(CHEMBL4462168)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2)[C@@H](C)O)C(C)C |r| Show InChI InChI=1S/C66H100N22O21S4/c1-29(2)15-36-55(98)82-41(52(69)95)23-110-112-25-43-59(102)81-40(22-89)57(100)80-39(17-34-21-71-28-73-34)66(109)87-13-7-9-45(87)61(104)74-31(5)53(96)83-44(26-113-111-24-42(58(101)84-43)75-48(92)19-67)60(103)86-51(32(6)90)64(107)85-50(30(3)4)63(106)78-37(18-47(68)91)56(99)79-38(16-33-20-70-27-72-33)65(108)88-14-8-10-46(88)62(105)76-35(54(97)77-36)11-12-49(93)94/h20-21,27-32,35-46,50-51,89-90H,7-19,22-26,67H2,1-6H3,(H2,68,91)(H2,69,95)(H,70,72)(H,71,73)(H,74,104)(H,75,92)(H,76,105)(H,77,97)(H,78,106)(H,79,99)(H,80,100)(H,81,102)(H,82,98)(H,83,96)(H,84,101)(H,85,107)(H,86,103)(H,93,94)/t31-,32+,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,50-,51-/m0/s1 | KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |