Found 3 hits for monomerid = 50516310 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)) | BDBM50516310
(CHEMBL4470868)Show SMILES CCCC[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](CO)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(C)C |r| Show InChI InChI=1S/C65H98N22O21S4/c1-5-6-9-34-53(96)82-41(51(68)94)24-109-111-27-44-60(103)80-39(22-88)56(99)79-38(17-33-21-70-29-72-33)65(108)86-14-7-10-45(86)61(104)73-31(4)52(95)83-43(26-112-110-25-42(58(101)84-44)74-48(91)19-66)59(102)81-40(23-89)57(100)85-50(30(2)3)63(106)77-36(18-47(67)90)55(98)78-37(16-32-20-69-28-71-32)64(107)87-15-8-11-46(87)62(105)76-35(54(97)75-34)12-13-49(92)93/h20-21,28-31,34-46,50,88-89H,5-19,22-27,66H2,1-4H3,(H2,67,90)(H2,68,94)(H,69,71)(H,70,72)(H,73,104)(H,74,91)(H,75,97)(H,76,105)(H,77,106)(H,78,98)(H,79,99)(H,80,103)(H,81,102)(H,82,96)(H,83,95)(H,84,101)(H,85,100)(H,92,93)/t31-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,50-/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 | 21 | 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)) | BDBM50516310
(CHEMBL4470868)Show SMILES CCCC[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](CO)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(C)C |r| Show InChI InChI=1S/C65H98N22O21S4/c1-5-6-9-34-53(96)82-41(51(68)94)24-109-111-27-44-60(103)80-39(22-88)56(99)79-38(17-33-21-70-29-72-33)65(108)86-14-7-10-45(86)61(104)73-31(4)52(95)83-43(26-112-110-25-42(58(101)84-44)74-48(91)19-66)59(102)81-40(23-89)57(100)85-50(30(2)3)63(106)77-36(18-47(67)90)55(98)78-37(16-32-20-69-28-71-32)64(107)87-15-8-11-46(87)62(105)76-35(54(97)75-34)12-13-49(92)93/h20-21,28-31,34-46,50,88-89H,5-19,22-27,66H2,1-4H3,(H2,67,90)(H2,68,94)(H,69,71)(H,70,72)(H,73,104)(H,74,91)(H,75,97)(H,76,105)(H,77,106)(H,78,98)(H,79,99)(H,80,103)(H,81,102)(H,82,96)(H,83,95)(H,84,101)(H,85,100)(H,92,93)/t31-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,50-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 284 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-4
(Homo sapiens (Human)) | BDBM50516310
(CHEMBL4470868)Show SMILES CCCC[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](CO)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(C)C |r| Show InChI InChI=1S/C65H98N22O21S4/c1-5-6-9-34-53(96)82-41(51(68)94)24-109-111-27-44-60(103)80-39(22-88)56(99)79-38(17-33-21-70-29-72-33)65(108)86-14-7-10-45(86)61(104)73-31(4)52(95)83-43(26-112-110-25-42(58(101)84-44)74-48(91)19-66)59(102)81-40(23-89)57(100)85-50(30(2)3)63(106)77-36(18-47(67)90)55(98)78-37(16-32-20-69-28-71-32)64(107)87-15-8-11-46(87)62(105)76-35(54(97)75-34)12-13-49(92)93/h20-21,28-31,34-46,50,88-89H,5-19,22-27,66H2,1-4H3,(H2,67,90)(H2,68,94)(H,69,71)(H,70,72)(H,73,104)(H,74,91)(H,75,97)(H,76,105)(H,77,106)(H,78,98)(H,79,99)(H,80,103)(H,81,102)(H,82,96)(H,83,95)(H,84,101)(H,85,100)(H,92,93)/t31-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,50-/m0/s1 | KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |