Found 217 hits of ic50 for UniProtKB: P04757 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-4
(Rattus norvegicus (Rat)) | BDBM50459664
(CHEMBL4218406)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)C(CC)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)C)C(=O)N2 |r| Show InChI InChI=1S/C59H94N18O17S5/c1-8-29(5)45-57(92)71-37(46(61)81)23-96-98-25-39-53(88)69-35(21-78)50(85)68-34(18-31-20-62-27-63-31)58(93)76-15-10-12-41(76)54(89)74-44(28(3)4)56(91)73-40(26-99-97-24-38(51(86)72-39)65-43(80)19-60)52(87)66-32(9-2)48(83)64-30(6)47(82)67-33(14-17-95-7)49(84)70-36(22-79)59(94)77-16-11-13-42(77)55(90)75-45/h20,27-30,32-42,44-45,78-79H,8-19,21-26,60H2,1-7H3,(H2,61,81)(H,62,63)(H,64,83)(H,65,80)(H,66,87)(H,67,82)(H,68,85)(H,69,88)(H,70,84)(H,71,92)(H,72,86)(H,73,91)(H,74,89)(H,75,90)/t29-,30-,32?,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,44-,45-/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 | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha3beta4 nACHR expressed in Xenopus laevis oocytes assessed as inhibition of acetyl choline-induced membrane currents p... |
J Med Chem 61: 9256-9265 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00967
BindingDB Entry DOI: 10.7270/Q2B27XWW |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Rattus norvegicus (Rat)) | BDBM50459656
(CHEMBL4214931)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@H](Cc2cnc[nH]2)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)C)C(=O)N2 |r| Show InChI InChI=1S/C61H94N20O17S5/c1-7-30(4)47-59(96)75-39(48(63)85)23-100-102-25-41-55(92)73-37(21-82)52(89)72-36(17-33-20-65-28-67-33)60(97)80-13-8-10-43(80)56(93)78-46(29(2)3)58(95)77-42(26-103-101-24-40(53(90)76-41)69-45(84)18-62)54(91)71-35(16-32-19-64-27-66-32)51(88)68-31(5)49(86)70-34(12-15-99-6)50(87)74-38(22-83)61(98)81-14-9-11-44(81)57(94)79-47/h19-20,27-31,34-44,46-47,82-83H,7-18,21-26,62H2,1-6H3,(H2,63,85)(H,64,66)(H,65,67)(H,68,88)(H,69,84)(H,70,86)(H,71,91)(H,72,89)(H,73,92)(H,74,87)(H,75,96)(H,76,90)(H,77,95)(H,78,93)(H,79,94)/t30-,31-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,46-,47-/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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha3beta4 nACHR expressed in Xenopus laevis oocytes assessed as inhibition of acetyl choline-induced membrane currents p... |
J Med Chem 61: 9256-9265 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00967
BindingDB Entry DOI: 10.7270/Q2B27XWW |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Rattus norvegicus (Rat)) | BDBM50587095
(CHEMBL5084339)Show SMILES CC(C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2 |r| | 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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at rat alpha3beta4 nAChR expressed in xenopus oocytes assessed as inhibition of Ach- induced response at -80 mV holding potential... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02079
BindingDB Entry DOI: 10.7270/Q2R78K4Q |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Rattus norvegicus (Rat)) | BDBM50238610
(CHEMBL4062759)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CCCSC)NC(=O)[C@H](C)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)C)C(=O)N2 |r| Show InChI InChI=1S/C59H94N18O18S5/c1-7-29(4)45-57(93)71-37(46(61)82)23-97-99-25-39-52(88)69-35(21-79)50(86)67-33(17-31-19-62-27-63-31)58(94)76-14-8-12-41(76)54(90)74-44(28(2)3)56(92)73-40(26-100-98-24-38(51(87)72-39)65-43(81)18-60)53(89)68-34(20-78)49(85)64-30(5)47(83)66-32(11-10-16-96-6)48(84)70-36(22-80)59(95)77-15-9-13-42(77)55(91)75-45/h19,27-30,32-42,44-45,78-80H,7-18,20-26,60H2,1-6H3,(H2,61,82)(H,62,63)(H,64,85)(H,65,81)(H,66,83)(H,67,86)(H,68,89)(H,69,88)(H,70,84)(H,71,93)(H,72,87)(H,73,92)(H,74,90)(H,75,91)/t29-,30-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,44-,45-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha3beta4 nACHR expressed in xenopous laevis oocyte assessed as inhibition of ACh induced channel current after 5 mins a... |
J Med Chem 60: 5826-5833 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00546
BindingDB Entry DOI: 10.7270/Q28C9ZHM |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Rattus norvegicus (Rat)) | BDBM50445331
(CHEMBL3104245)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)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)C)C(=O)N2 |r| Show InChI InChI=1S/C58H92N18O18S5/c1-7-28(4)44-56(92)70-36(45(60)81)22-96-98-24-38-51(87)68-34(20-78)49(85)66-32(16-30-18-61-26-62-30)57(93)75-13-8-10-40(75)53(89)73-43(27(2)3)55(91)72-39(25-99-97-23-37(50(86)71-38)64-42(80)17-59)52(88)67-33(19-77)48(84)63-29(5)46(82)65-31(12-15-95-6)47(83)69-35(21-79)58(94)76-14-9-11-41(76)54(90)74-44/h18,26-29,31-41,43-44,77-79H,7-17,19-25,59H2,1-6H3,(H2,60,81)(H,61,62)(H,63,84)(H,64,80)(H,65,82)(H,66,85)(H,67,88)(H,68,87)(H,69,83)(H,70,92)(H,71,86)(H,72,91)(H,73,89)(H,74,90)/t28-,29-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,43-,44-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha3beta4 nACHR expressed in Xenopus laevis oocytes assessed as inhibition of acetyl choline-induced membrane currents p... |
J Med Chem 61: 9256-9265 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00967
BindingDB Entry DOI: 10.7270/Q2B27XWW |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Rattus norvegicus (Rat)) | BDBM50238584
(CHEMBL4089797)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CCCSC)NC(=O)[C@H](C)NC(=O)[C@H](C)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)C)C(=O)N2 |r| Show InChI InChI=1S/C59H94N18O17S5/c1-8-29(4)45-57(92)71-37(46(61)81)23-96-98-26-40-53(88)69-35(21-78)50(85)68-34(18-32-20-62-27-63-32)58(93)76-15-9-13-41(76)54(89)74-44(28(2)3)56(91)73-39(25-99-97-24-38(52(87)72-40)66-43(80)19-60)51(86)65-30(5)47(82)64-31(6)48(83)67-33(12-11-17-95-7)49(84)70-36(22-79)59(94)77-16-10-14-42(77)55(90)75-45/h20,27-31,33-42,44-45,78-79H,8-19,21-26,60H2,1-7H3,(H2,61,81)(H,62,63)(H,64,82)(H,65,86)(H,66,80)(H,67,83)(H,68,85)(H,69,88)(H,70,84)(H,71,92)(H,72,87)(H,73,91)(H,74,89)(H,75,90)/t29-,30-,31-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,44-,45-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha3beta4 nACHR expressed in xenopous laevis oocyte assessed as inhibition of ACh induced channel current after 5 mins a... |
J Med Chem 60: 5826-5833 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00546
BindingDB Entry DOI: 10.7270/Q28C9ZHM |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Rattus norvegicus (Rat)) | BDBM50459659
(CHEMBL4214003)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@H](C)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)C)C(=O)N2 |r| Show InChI InChI=1S/C58H92N18O17S5/c1-8-28(4)44-56(91)70-36(45(60)80)22-95-97-25-39-52(87)68-34(20-77)49(84)67-33(17-31-19-61-26-62-31)57(92)75-14-9-11-40(75)53(88)73-43(27(2)3)55(90)72-38(24-98-96-23-37(51(86)71-39)65-42(79)18-59)50(85)64-29(5)46(81)63-30(6)47(82)66-32(13-16-94-7)48(83)69-35(21-78)58(93)76-15-10-12-41(76)54(89)74-44/h19,26-30,32-41,43-44,77-78H,8-18,20-25,59H2,1-7H3,(H2,60,80)(H,61,62)(H,63,81)(H,64,85)(H,65,79)(H,66,82)(H,67,84)(H,68,87)(H,69,83)(H,70,91)(H,71,86)(H,72,90)(H,73,88)(H,74,89)/t28-,29-,30-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,43-,44-/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 | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha3beta4 nACHR expressed in Xenopus laevis oocytes assessed as inhibition of acetyl choline-induced membrane currents p... |
J Med Chem 61: 9256-9265 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00967
BindingDB Entry DOI: 10.7270/Q2B27XWW |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Rattus norvegicus (Rat)) | BDBM50459655
(CHEMBL4210514)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)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)C)C(=O)N2 |r| Show InChI InChI=1S/C61H99N21O17S5/c1-7-30(4)46-58(97)76-38(47(63)86)24-101-103-26-40-54(93)74-36(22-83)51(90)73-35(19-32-21-66-28-68-32)59(98)81-16-9-12-42(81)55(94)79-45(29(2)3)57(96)78-41(27-104-102-25-39(52(91)77-40)70-44(85)20-62)53(92)72-33(11-8-15-67-61(64)65)49(88)69-31(5)48(87)71-34(14-18-100-6)50(89)75-37(23-84)60(99)82-17-10-13-43(82)56(95)80-46/h21,28-31,33-43,45-46,83-84H,7-20,22-27,62H2,1-6H3,(H2,63,86)(H,66,68)(H,69,88)(H,70,85)(H,71,87)(H,72,92)(H,73,90)(H,74,93)(H,75,89)(H,76,97)(H,77,91)(H,78,96)(H,79,94)(H,80,95)(H4,64,65,67)/t30-,31-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,45-,46-/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 | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha3beta4 nACHR expressed in Xenopus laevis oocytes assessed as inhibition of acetyl choline-induced membrane currents p... |
J Med Chem 61: 9256-9265 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00967
BindingDB Entry DOI: 10.7270/Q2B27XWW |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Rattus norvegicus (Rat)) | BDBM50459652
(CHEMBL4215824)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)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)C)C(=O)N2 |r| Show InChI InChI=1S/C61H99N19O17S5/c1-7-31(4)47-59(95)74-39(48(64)84)25-99-101-27-41-55(91)72-37(23-81)52(88)71-36(20-33-22-65-29-66-33)60(96)79-17-10-13-43(79)56(92)77-46(30(2)3)58(94)76-42(28-102-100-26-40(53(89)75-41)68-45(83)21-63)54(90)70-34(12-8-9-16-62)50(86)67-32(5)49(85)69-35(15-19-98-6)51(87)73-38(24-82)61(97)80-18-11-14-44(80)57(93)78-47/h22,29-32,34-44,46-47,81-82H,7-21,23-28,62-63H2,1-6H3,(H2,64,84)(H,65,66)(H,67,86)(H,68,83)(H,69,85)(H,70,90)(H,71,88)(H,72,91)(H,73,87)(H,74,95)(H,75,89)(H,76,94)(H,77,92)(H,78,93)/t31-,32-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,46-,47-/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 | 6.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha3beta4 nACHR expressed in Xenopus laevis oocytes assessed as inhibition of acetyl choline-induced membrane currents p... |
J Med Chem 61: 9256-9265 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00967
BindingDB Entry DOI: 10.7270/Q2B27XWW |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Rattus norvegicus (Rat)) | BDBM50459660
(CHEMBL4206670)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)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)C)C(=O)N2)[C@@H](C)O |r| Show InChI InChI=1S/C59H94N18O18S5/c1-8-28(4)44-56(92)70-36(46(61)82)22-97-99-24-38-51(87)68-34(20-78)49(85)67-33(17-31-19-62-26-63-31)58(94)76-14-9-11-40(76)53(89)73-43(27(2)3)55(91)72-39(25-100-98-23-37(50(86)71-38)65-42(81)18-60)52(88)75-45(30(6)80)57(93)64-29(5)47(83)66-32(13-16-96-7)48(84)69-35(21-79)59(95)77-15-10-12-41(77)54(90)74-44/h19,26-30,32-41,43-45,78-80H,8-18,20-25,60H2,1-7H3,(H2,61,82)(H,62,63)(H,64,93)(H,65,81)(H,66,83)(H,67,85)(H,68,87)(H,69,84)(H,70,92)(H,71,86)(H,72,91)(H,73,89)(H,74,90)(H,75,88)/t28-,29-,30+,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,43-,44-,45-/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 | 7.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha3beta4 nACHR expressed in Xenopus laevis oocytes assessed as inhibition of acetyl choline-induced membrane currents p... |
J Med Chem 61: 9256-9265 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00967
BindingDB Entry DOI: 10.7270/Q2B27XWW |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Rattus norvegicus (Rat)) | BDBM50459661
(CHEMBL4215453)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)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)C)C(=O)N2 |r| Show InChI InChI=1S/C64H96N18O18S5/c1-7-32(4)50-62(98)76-42(51(66)87)26-102-104-28-44-58(94)74-40(24-83)55(91)73-39(21-35-23-67-30-68-35)63(99)81-17-8-10-46(81)59(95)79-49(31(2)3)61(97)78-45(29-105-103-27-43(56(92)77-44)70-48(86)22-65)57(93)72-38(20-34-12-14-36(85)15-13-34)54(90)69-33(5)52(88)71-37(16-19-101-6)53(89)75-41(25-84)64(100)82-18-9-11-47(82)60(96)80-50/h12-15,23,30-33,37-47,49-50,83-85H,7-11,16-22,24-29,65H2,1-6H3,(H2,66,87)(H,67,68)(H,69,90)(H,70,86)(H,71,88)(H,72,93)(H,73,91)(H,74,94)(H,75,89)(H,76,98)(H,77,92)(H,78,97)(H,79,95)(H,80,96)/t32-,33-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,49-,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 | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha3beta4 nACHR expressed in Xenopus laevis oocytes assessed as inhibition of acetyl choline-induced membrane currents p... |
J Med Chem 61: 9256-9265 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00967
BindingDB Entry DOI: 10.7270/Q2B27XWW |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Rattus norvegicus (Rat)) | BDBM50238581
(CHEMBL4081435)Show SMILES CSCCC[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CO)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)C)C(=O)N2 |r| Show InChI InChI=1S/C57H88N18O20S5/c1-26(2)43-55(93)72-38-24-100-98-22-36(63-41(79)16-58)50(88)71-37(51(89)68-33(19-77)49(87)66-31(14-28-17-60-25-61-28)56(94)74-11-6-10-40(74)54(92)73-43)23-99-97-21-35(44(59)82)70-47(85)30(15-42(80)81)65-53(91)39-9-5-12-75(39)57(95)34(20-78)69-46(84)29(8-7-13-96-4)64-45(83)27(3)62-48(86)32(18-76)67-52(38)90/h17,25-27,29-40,43,76-78H,5-16,18-24,58H2,1-4H3,(H2,59,82)(H,60,61)(H,62,86)(H,63,79)(H,64,83)(H,65,91)(H,66,87)(H,67,90)(H,68,89)(H,69,84)(H,70,85)(H,71,88)(H,72,93)(H,73,92)(H,80,81)/t27-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,43-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha3beta4 nACHR expressed in xenopous laevis oocyte assessed as inhibition of ACh induced channel current after 5 mins a... |
J Med Chem 60: 5826-5833 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00546
BindingDB Entry DOI: 10.7270/Q28C9ZHM |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Rattus norvegicus (Rat)) | BDBM50238579
(CHEMBL4070842)Show SMILES CSCCC[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CO)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)C)C(=O)N2 |r| Show InChI InChI=1S/C59H95N21O18S5/c1-28(2)44-56(96)77-40-26-103-101-24-38(68-43(84)18-60)51(91)76-39(52(92)73-35(21-82)50(90)71-33(17-30-19-64-27-66-30)57(97)79-14-7-12-42(79)55(95)78-44)25-102-100-23-37(45(61)85)75-48(88)31(9-5-13-65-59(62)63)70-54(94)41-11-6-15-80(41)58(98)36(22-83)74-47(87)32(10-8-16-99-4)69-46(86)29(3)67-49(89)34(20-81)72-53(40)93/h19,27-29,31-42,44,81-83H,5-18,20-26,60H2,1-4H3,(H2,61,85)(H,64,66)(H,67,89)(H,68,84)(H,69,86)(H,70,94)(H,71,90)(H,72,93)(H,73,92)(H,74,87)(H,75,88)(H,76,91)(H,77,96)(H,78,95)(H4,62,63,65)/t29-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,44-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Inhibition of 5-HT uptake in rat synaptosomal fraction |
J Med Chem 60: 5826-5833 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00546
BindingDB Entry DOI: 10.7270/Q28C9ZHM |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Rattus norvegicus (Rat)) | BDBM50459653
(CHEMBL4211045)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)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)C)C(=O)N2 |r| Show InChI InChI=1S/C61H98N18O17S5/c1-9-31(6)47-59(94)73-39(48(63)83)24-98-100-26-41-55(90)71-37(22-80)52(87)70-36(19-33-21-64-28-65-33)60(95)78-15-10-12-43(78)56(91)76-46(30(4)5)58(93)75-42(27-101-99-25-40(53(88)74-41)67-45(82)20-62)54(89)69-35(18-29(2)3)51(86)66-32(7)49(84)68-34(14-17-97-8)50(85)72-38(23-81)61(96)79-16-11-13-44(79)57(92)77-47/h21,28-32,34-44,46-47,80-81H,9-20,22-27,62H2,1-8H3,(H2,63,83)(H,64,65)(H,66,86)(H,67,82)(H,68,84)(H,69,89)(H,70,87)(H,71,90)(H,72,85)(H,73,94)(H,74,88)(H,75,93)(H,76,91)(H,77,92)/t31-,32-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,46-,47-/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 | 9.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha3beta4 nACHR expressed in Xenopus laevis oocytes assessed as inhibition of acetyl choline-induced membrane currents p... |
J Med Chem 61: 9256-9265 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00967
BindingDB Entry DOI: 10.7270/Q2B27XWW |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Rattus norvegicus (Rat)) | BDBM50238580
(CHEMBL4099451)Show SMILES CSCCC[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CO)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)C)C(=O)N2 |r| Show InChI InChI=1S/C62H92N18O19S5/c1-30(2)48-60(97)77-44-28-104-102-26-42(68-47(85)20-63)55(92)76-43(56(93)73-39(23-82)54(91)71-37(19-33-21-65-29-66-33)61(98)79-15-6-10-46(79)59(96)78-48)27-103-101-25-41(49(64)86)75-52(89)36(18-32-11-13-34(84)14-12-32)70-58(95)45-9-5-16-80(45)62(99)40(24-83)74-51(88)35(8-7-17-100-4)69-50(87)31(3)67-53(90)38(22-81)72-57(44)94/h11-14,21,29-31,35-46,48,81-84H,5-10,15-20,22-28,63H2,1-4H3,(H2,64,86)(H,65,66)(H,67,90)(H,68,85)(H,69,87)(H,70,95)(H,71,91)(H,72,94)(H,73,93)(H,74,88)(H,75,89)(H,76,92)(H,77,97)(H,78,96)/t31-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,48-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha3beta4 nACHR expressed in xenopous laevis oocyte assessed as inhibition of ACh induced channel current after 5 mins a... |
J Med Chem 60: 5826-5833 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00546
BindingDB Entry DOI: 10.7270/Q28C9ZHM |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Rattus norvegicus (Rat)) | BDBM50238585
(CHEMBL4071400)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CCCSC)NC(=O)[C@H](C)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](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N2 |r| Show InChI InChI=1S/C59H94N18O17S5/c1-8-29(4)45-57(92)71-37(46(61)81)23-96-98-25-39-51(86)65-31(6)48(83)68-34(18-32-20-62-27-63-32)58(93)76-15-9-13-41(76)54(89)74-44(28(2)3)56(91)73-40(26-99-97-24-38(52(87)72-39)66-43(80)19-60)53(88)69-35(21-78)50(85)64-30(5)47(82)67-33(12-11-17-95-7)49(84)70-36(22-79)59(94)77-16-10-14-42(77)55(90)75-45/h20,27-31,33-42,44-45,78-79H,8-19,21-26,60H2,1-7H3,(H2,61,81)(H,62,63)(H,64,85)(H,65,86)(H,66,80)(H,67,82)(H,68,83)(H,69,88)(H,70,84)(H,71,92)(H,72,87)(H,73,91)(H,74,89)(H,75,90)/t29-,30-,31-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,44-,45-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha3beta4 nACHR expressed in xenopous laevis oocyte assessed as inhibition of ACh induced channel current after 5 mins a... |
J Med Chem 60: 5826-5833 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00546
BindingDB Entry DOI: 10.7270/Q28C9ZHM |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Rattus norvegicus (Rat)) | BDBM50459654
(CHEMBL4206157)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)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)C)C(=O)N2 |r| Show InChI InChI=1S/C64H96N18O17S5/c1-7-33(4)50-62(97)76-42(51(66)86)27-101-103-29-44-58(93)74-40(25-83)55(90)73-39(22-36-24-67-31-68-36)63(98)81-18-11-15-46(81)59(94)79-49(32(2)3)61(96)78-45(30-104-102-28-43(56(91)77-44)70-48(85)23-65)57(92)72-38(21-35-13-9-8-10-14-35)54(89)69-34(5)52(87)71-37(17-20-100-6)53(88)75-41(26-84)64(99)82-19-12-16-47(82)60(95)80-50/h8-10,13-14,24,31-34,37-47,49-50,83-84H,7,11-12,15-23,25-30,65H2,1-6H3,(H2,66,86)(H,67,68)(H,69,89)(H,70,85)(H,71,87)(H,72,92)(H,73,90)(H,74,93)(H,75,88)(H,76,97)(H,77,91)(H,78,96)(H,79,94)(H,80,95)/t33-,34-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,49-,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 | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha3beta4 nACHR expressed in Xenopus laevis oocytes assessed as inhibition of acetyl choline-induced membrane currents p... |
J Med Chem 61: 9256-9265 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00967
BindingDB Entry DOI: 10.7270/Q2B27XWW |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Rattus norvegicus (Rat)) | BDBM50445331
(CHEMBL3104245)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)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)C)C(=O)N2 |r| Show InChI InChI=1S/C58H92N18O18S5/c1-7-28(4)44-56(92)70-36(45(60)81)22-96-98-24-38-51(87)68-34(20-78)49(85)66-32(16-30-18-61-26-62-30)57(93)75-13-8-10-40(75)53(89)73-43(27(2)3)55(91)72-39(25-99-97-23-37(50(86)71-38)64-42(80)17-59)52(88)67-33(19-77)48(84)63-29(5)46(82)65-31(12-15-95-6)47(83)69-35(21-79)58(94)76-14-9-11-41(76)54(90)74-44/h18,26-29,31-41,43-44,77-79H,7-17,19-25,59H2,1-6H3,(H2,60,81)(H,61,62)(H,63,84)(H,64,80)(H,65,82)(H,66,85)(H,67,88)(H,68,87)(H,69,83)(H,70,92)(H,71,86)(H,72,91)(H,73,89)(H,74,90)/t28-,29-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,43-,44-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Inhibition of rat alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of ACh-induced current after 2 to 4 days by voltage cl... |
J Med Chem 56: 9655-63 (2014)
Article DOI: 10.1021/jm401254c
BindingDB Entry DOI: 10.7270/Q22Z171M |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Rattus norvegicus (Rat)) | BDBM50238607
(CHEMBL4069809)Show SMILES CSCCC[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CO)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)C)C(=O)N2 |r| Show InChI InChI=1S/C56H88N18O18S5/c1-26(2)42-54(90)71-38-24-97-95-22-36(63-41(78)16-57)49(85)70-37(50(86)67-33(19-76)48(84)65-31(15-29-17-59-25-60-29)55(91)73-12-7-11-40(73)53(89)72-42)23-96-94-21-35(43(58)79)69-45(81)28(4)62-52(88)39-10-6-13-74(39)56(92)34(20-77)68-46(82)30(9-8-14-93-5)64-44(80)27(3)61-47(83)32(18-75)66-51(38)87/h17,25-28,30-40,42,75-77H,6-16,18-24,57H2,1-5H3,(H2,58,79)(H,59,60)(H,61,83)(H,62,88)(H,63,78)(H,64,80)(H,65,84)(H,66,87)(H,67,86)(H,68,82)(H,69,81)(H,70,85)(H,71,90)(H,72,89)/t27-,28-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,42-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha3beta4 nACHR expressed in xenopous laevis oocyte assessed as inhibition of ACh induced channel current after 5 mins a... |
J Med Chem 60: 5826-5833 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00546
BindingDB Entry DOI: 10.7270/Q28C9ZHM |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Rattus norvegicus (Rat)) | BDBM50238589
(CHEMBL4061135)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCCSC)NC(=O)[C@H](C)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)C)C(=O)N2 |r| Show InChI InChI=1S/C59H94N18O17S5/c1-8-29(4)45-57(92)71-37(46(61)81)23-96-98-25-39-52(87)70-36(22-79)50(85)68-34(18-32-20-62-27-63-32)59(94)77-16-10-14-42(77)54(89)74-44(28(2)3)56(91)73-40(26-99-97-24-38(51(86)72-39)66-43(80)19-60)53(88)69-35(21-78)49(84)64-30(5)47(82)67-33(12-11-17-95-7)48(83)65-31(6)58(93)76-15-9-13-41(76)55(90)75-45/h20,27-31,33-42,44-45,78-79H,8-19,21-26,60H2,1-7H3,(H2,61,81)(H,62,63)(H,64,84)(H,65,83)(H,66,80)(H,67,82)(H,68,85)(H,69,88)(H,70,87)(H,71,92)(H,72,86)(H,73,91)(H,74,89)(H,75,90)/t29-,30-,31-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,44-,45-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Inhibition of dopamine uptake in rat synaptosomal fraction |
J Med Chem 60: 5826-5833 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00546
BindingDB Entry DOI: 10.7270/Q28C9ZHM |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Rattus norvegicus (Rat)) | BDBM50445330
(CHEMBL3104243)Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2)C(C)C |r| Show InChI InChI=1S/C54H82N14O16S4/c1-25(2)17-31-45(75)59-32(18-29-11-13-30(71)14-12-29)46(76)62-34(43(56)73)21-85-87-24-37-50(80)61-33(20-69)47(77)66-42(28(6)70)54(84)68-16-8-10-39(68)53(83)67-15-7-9-38(67)51(81)64-36(23-88-86-22-35(49(79)63-37)58-40(72)19-55)48(78)57-27(5)44(74)65-41(26(3)4)52(82)60-31/h11-14,25-28,31-39,41-42,69-71H,7-10,15-24,55H2,1-6H3,(H2,56,73)(H,57,78)(H,58,72)(H,59,75)(H,60,82)(H,61,80)(H,62,76)(H,63,79)(H,64,81)(H,65,74)(H,66,77)/t27-,28+,31-,32-,33-,34-,35-,36-,37-,38-,39-,41-,42-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
MCE
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 |
Hainan University
Curated by ChEMBL
| Assay Description
Inhibition of rat alpha3beta4 nAChR expressed in Xenopus oocytes assessed as inhibition of ACh-induced current by voltage clamp electrophysiology met... |
J Med Chem 56: 9655-63 (2014)
Article DOI: 10.1021/jm401254c
BindingDB Entry DOI: 10.7270/Q22Z171M |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Rattus norvegicus (Rat)) | BDBM50238606
(CHEMBL4099865)Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2)C(C)C |r| Show InChI InChI=1S/C54H82N14O16S4/c1-25(2)17-31-45(75)59-32(18-29-11-13-30(71)14-12-29)46(76)62-34(43(56)73)21-85-87-24-37-50(80)61-33(20-69)47(77)66-42(28(6)70)54(84)68-16-8-10-39(68)53(83)67-15-7-9-38(67)51(81)64-36(23-88-86-22-35(49(79)63-37)58-40(72)19-55)48(78)57-27(5)44(74)65-41(26(3)4)52(82)60-31/h11-14,25-28,31-39,41-42,69-71H,7-10,15-24,55H2,1-6H3,(H2,56,73)(H,57,78)(H,58,72)(H,59,75)(H,60,82)(H,61,80)(H,62,76)(H,63,79)(H,64,81)(H,65,74)(H,66,77)/t27-,28+,31-,32-,33-,34+,35-,36-,37-,38-,39-,41-,42-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha3beta4 nACHR expressed in xenopous laevis oocyte assessed as inhibition of ACh induced channel current at -70 mV hold... |
J Med Chem 60: 5826-5833 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00546
BindingDB Entry DOI: 10.7270/Q28C9ZHM |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Rattus norvegicus (Rat)) | BDBM50001696
(CHEMBL3238023)Show SMILES [H][C@@]12CCCN1C(=O)[C@]1([H])CCCN1C(=O)[C@@]([H])(NC(=O)[C@H](CO)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)CN)C(=O)N1)NC2=O)C(C)C)C(O)=O)[C@H](C)O |r| Show InChI InChI=1S/C54H81N13O17S4/c1-25(2)17-31-44(73)58-32(18-29-11-13-30(70)14-12-29)45(74)63-37(54(83)84)24-88-87-23-36-49(78)60-33(20-68)46(75)65-42(28(6)69)53(82)67-16-8-10-39(67)52(81)66-15-7-9-38(66)50(79)62-35(22-86-85-21-34(48(77)61-36)57-40(71)19-55)47(76)56-27(5)43(72)64-41(26(3)4)51(80)59-31/h11-14,25-28,31-39,41-42,68-70H,7-10,15-24,55H2,1-6H3,(H,56,76)(H,57,71)(H,58,73)(H,59,80)(H,60,78)(H,61,77)(H,62,79)(H,63,74)(H,64,72)(H,65,75)(H,83,84)/t27-,28-,31-,32-,33-,34-,35-,36-,37-,38-,39-,41-,42-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Torrey Pines Institute for Molecular Studies
Curated by ChEMBL
| Assay Description
Inhibition of rat alpha3beta4 nAChR expressed in Xenopus laevis oocytes by voltage clamp technique |
J Med Chem 57: 3511-21 (2014)
Article DOI: 10.1021/jm500183r
BindingDB Entry DOI: 10.7270/Q2ZC84CQ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Rattus norvegicus (Rat)) | BDBM50238617
(CHEMBL4091711)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)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)C)C(=O)N2)[C@@H](C)CC |r| Show InChI InChI=1S/C59H94N18O17S4/c1-9-28(5)44-56(91)69-35(21-79)59(94)77-16-12-14-41(77)54(89)75-45(29(6)10-2)57(92)70-36(46(61)81)22-95-97-25-39-52(87)68-34(20-78)49(84)67-33(17-32-19-62-26-63-32)58(93)76-15-11-13-40(76)53(88)73-43(27(3)4)55(90)72-38(24-98-96-23-37(51(86)71-39)66-42(80)18-60)50(85)65-30(7)47(82)64-31(8)48(83)74-44/h19,26-31,33-41,43-45,78-79H,9-18,20-25,60H2,1-8H3,(H2,61,81)(H,62,63)(H,64,82)(H,65,85)(H,66,80)(H,67,84)(H,68,87)(H,69,91)(H,70,92)(H,71,86)(H,72,90)(H,73,88)(H,74,83)(H,75,89)/t28-,29-,30-,31-,33-,34-,35-,36-,37-,38-,39-,40-,41-,43-,44-,45-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha3beta4 nACHR expressed in xenopous laevis oocyte assessed as inhibition of ACh induced channel current after 5 mins a... |
J Med Chem 60: 5826-5833 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00546
BindingDB Entry DOI: 10.7270/Q28C9ZHM |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Rattus norvegicus (Rat)) | BDBM50587092
(CHEMBL5087554)Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC1=O)C(=O)NCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2)C(C)C |r| | 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 | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at rat alpha3beta4 nAChR |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02079
BindingDB Entry DOI: 10.7270/Q2R78K4Q |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Rattus norvegicus (Rat)) | BDBM50238609
(CHEMBL4100403)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CSSC[C@@H](NC1=O)C(O)=O)NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2)C(C)C |r| Show InChI InChI=1S/C65H97N23O21S4/c1-6-29(4)50-62(105)84-42(65(108)109)25-113-110-22-39(75-48(93)18-66)56(99)83-41-24-112-111-23-40(82-51(94)30(5)74-59(102)43-9-7-11-87(43)63(106)36(14-32-20-71-27-73-32)79-55(98)38(21-89)81-58(41)101)57(100)76-35(16-46(68)91)54(97)85-49(28(2)3)61(104)78-34(15-45(67)90)52(95)80-37(17-47(69)92)64(107)88-12-8-10-44(88)60(103)77-33(53(96)86-50)13-31-19-70-26-72-31/h19-20,26-30,33-44,49-50,89H,6-18,21-25,66H2,1-5H3,(H2,67,90)(H2,68,91)(H2,69,92)(H,70,72)(H,71,73)(H,74,102)(H,75,93)(H,76,100)(H,77,103)(H,78,104)(H,79,98)(H,80,95)(H,81,101)(H,82,94)(H,83,99)(H,84,105)(H,85,97)(H,86,96)(H,108,109)/t29-,30-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42+,43-,44-,49-,50-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha3beta4 nACHR expressed in xenopous laevis oocyte assessed as inhibition of ACh induced channel current at -80 mV hold... |
J Med Chem 60: 5826-5833 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00546
BindingDB Entry DOI: 10.7270/Q28C9ZHM |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Rattus norvegicus (Rat)) | BDBM50459658
(CHEMBL4208491)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@@H](CCCNC(N)=N)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)C)C(=O)N2 |r| Show InChI InChI=1S/C61H99N21O17S5/c1-7-30(4)46-58(97)76-38(47(63)86)24-101-103-26-40-54(93)74-36(22-83)51(90)73-35(19-32-21-66-28-68-32)59(98)81-16-9-12-42(81)55(94)79-45(29(2)3)57(96)78-41(27-104-102-25-39(52(91)77-40)70-44(85)20-62)53(92)72-33(11-8-15-67-61(64)65)49(88)69-31(5)48(87)71-34(14-18-100-6)50(89)75-37(23-84)60(99)82-17-10-13-43(82)56(95)80-46/h21,28-31,33-43,45-46,83-84H,7-20,22-27,62H2,1-6H3,(H2,63,86)(H,66,68)(H,69,88)(H,70,85)(H,71,87)(H,72,92)(H,73,90)(H,74,93)(H,75,89)(H,76,97)(H,77,91)(H,78,96)(H,79,94)(H,80,95)(H4,64,65,67)/t30-,31-,33+,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,45-,46-/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 | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha3beta4 nACHR expressed in Xenopus laevis oocytes assessed as inhibition of acetyl choline-induced membrane currents p... |
J Med Chem 61: 9256-9265 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00967
BindingDB Entry DOI: 10.7270/Q2B27XWW |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Rattus norvegicus (Rat)) | BDBM50238583
(CHEMBL4084438)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CCCSC)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](C)N)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)C)C(=O)N2 |r| Show InChI InChI=1S/C60H96N18O18S5/c1-8-29(4)45-58(94)71-38(46(62)82)23-98-99-25-40-52(88)69-36(21-80)51(87)67-34(18-32-19-63-27-64-32)59(95)77-15-9-13-42(77)55(91)75-44(28(2)3)57(93)74-41(26-101-100-24-39(54(90)73-40)72-47(83)30(5)61)53(89)68-35(20-79)50(86)65-31(6)48(84)66-33(12-11-17-97-7)49(85)70-37(22-81)60(96)78-16-10-14-43(78)56(92)76-45/h19,27-31,33-45,79-81H,8-18,20-26,61H2,1-7H3,(H2,62,82)(H,63,64)(H,65,86)(H,66,84)(H,67,87)(H,68,89)(H,69,88)(H,70,85)(H,71,94)(H,72,83)(H,73,90)(H,74,93)(H,75,91)(H,76,92)/t29-,30-,31-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha3beta4 nACHR expressed in xenopous laevis oocyte assessed as inhibition of ACh induced channel current after 5 mins a... |
J Med Chem 60: 5826-5833 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00546
BindingDB Entry DOI: 10.7270/Q28C9ZHM |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Rattus norvegicus (Rat)) | BDBM50554887
(CHEMBL4778777)Show SMILES CC[C@H](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](C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)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| | 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 | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at rat alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced response at -70 mV holding pot... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00975
BindingDB Entry DOI: 10.7270/Q2B56PCX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Rattus norvegicus (Rat)) | BDBM50238611
(CHEMBL4097007)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CCCSC)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)C)C(=O)N2)[C@@H](C)CC |r| Show InChI InChI=1S/C62H100N18O18S5/c1-8-31(5)47-59(95)68-34(13-12-18-99-7)50(86)72-38(24-83)62(98)80-17-11-15-44(80)57(93)78-48(32(6)9-2)60(96)73-39(49(64)85)25-100-102-27-41-54(90)70-36(22-81)51(87)69-35(19-33-21-65-29-66-33)61(97)79-16-10-14-43(79)56(92)76-46(30(3)4)58(94)75-42(55(91)71-37(23-82)52(88)77-47)28-103-101-26-40(53(89)74-41)67-45(84)20-63/h21,29-32,34-44,46-48,81-83H,8-20,22-28,63H2,1-7H3,(H2,64,85)(H,65,66)(H,67,84)(H,68,95)(H,69,87)(H,70,90)(H,71,91)(H,72,86)(H,73,96)(H,74,89)(H,75,94)(H,76,92)(H,77,88)(H,78,93)/t31-,32-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,46-,47-,48-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha3beta4 nACHR expressed in xenopous laevis oocyte assessed as inhibition of ACh induced channel current after 5 mins a... |
J Med Chem 60: 5826-5833 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00546
BindingDB Entry DOI: 10.7270/Q28C9ZHM |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Rattus norvegicus (Rat)) | BDBM50459657
(CHEMBL4203617)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)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)C)C(=O)N2 |r| Show InChI InChI=1S/C58H92N18O18S5/c1-7-28(4)44-56(92)70-36(45(60)81)22-96-98-24-38-51(87)68-34(20-78)49(85)66-32(16-30-18-61-26-62-30)57(93)75-13-8-10-40(75)53(89)73-43(27(2)3)55(91)72-39(25-99-97-23-37(50(86)71-38)64-42(80)17-59)52(88)67-33(19-77)48(84)63-29(5)46(82)65-31(12-15-95-6)47(83)69-35(21-79)58(94)76-14-9-11-41(76)54(90)74-44/h18,26-29,31-41,43-44,77-79H,7-17,19-25,59H2,1-6H3,(H2,60,81)(H,61,62)(H,63,84)(H,64,80)(H,65,82)(H,66,85)(H,67,88)(H,68,87)(H,69,83)(H,70,92)(H,71,86)(H,72,91)(H,73,89)(H,74,90)/t28-,29-,31-,32-,33+,34-,35-,36-,37-,38-,39-,40-,41-,43-,44-/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 | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha3beta4 nACHR expressed in Xenopus laevis oocytes assessed as inhibition of acetyl choline-induced membrane currents p... |
J Med Chem 61: 9256-9265 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00967
BindingDB Entry DOI: 10.7270/Q2B27XWW |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Rattus norvegicus (Rat)) | BDBM50516325
(CHEMBL4463089)Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CCCCC(O)=O)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 |r| Show InChI InChI=1S/C72H107N23O21S4/c1-5-6-11-41-60(104)83-42(12-7-8-15-56(98)99)61(105)88-46(22-39-26-76-34-79-39)71(115)95-19-10-14-54(95)70(114)85-43(16-17-57(100)101)62(106)86-44(20-36(2)3)63(107)91-49(58(74)102)29-117-119-32-52-68(112)90-48(28-96)65(109)89-47(23-40-27-77-35-80-40)72(116)94-18-9-13-53(94)69(113)81-37(4)59(103)92-51(31-120-118-30-50(66(110)93-52)82-55(97)24-73)67(111)87-45(64(108)84-41)21-38-25-75-33-78-38/h25-27,33-37,41-54,96H,5-24,28-32,73H2,1-4H3,(H2,74,102)(H,75,78)(H,76,79)(H,77,80)(H,81,113)(H,82,97)(H,83,104)(H,84,108)(H,85,114)(H,86,106)(H,87,111)(H,88,105)(H,89,109)(H,90,112)(H,91,107)(H,92,103)(H,93,110)(H,98,99)(H,100,101)/t37-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-/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 | 168 | 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 alpha3beta4 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
BindingDB Entry DOI: 10.7270/Q2GQ7231 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Rattus norvegicus (Rat)) | BDBM50554889
(CHEMBL4746075)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)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| | 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 | 181 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at rat alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced response at -70 mV holding pot... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00975
BindingDB Entry DOI: 10.7270/Q2B56PCX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Rattus norvegicus (Rat)) | BDBM50001695
(CHEMBL3238085)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCC)NC(=O)[C@H](CC)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)CN)C(=O)N1)NC(=O)[C@H](CC)NC2=O)C(O)=O |r| Show InChI InChI=1S/C59H81N15O16S4/c1-4-11-37-50(80)67-39(21-32-15-17-34(76)18-16-32)52(82)73-45(59(89)90)29-94-93-28-44-56(86)70-41(25-75)53(83)69-40(22-33-24-61-30-62-33)58(88)74-19-10-14-46(74)57(87)65-36(6-3)49(79)71-43(27-92-91-26-42(54(84)72-44)63-47(77)23-60)55(85)68-38(20-31-12-8-7-9-13-31)51(81)64-35(5-2)48(78)66-37/h7-9,12-13,15-18,24,30,35-46,75-76H,4-6,10-11,14,19-23,25-29,60H2,1-3H3,(H,61,62)(H,63,77)(H,64,81)(H,65,87)(H,66,78)(H,67,80)(H,68,85)(H,69,83)(H,70,86)(H,71,79)(H,72,84)(H,73,82)(H,89,90)/t35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 183 | n/a | n/a | n/a | n/a | n/a | n/a |
Torrey Pines Institute for Molecular Studies
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha3beta4 nAChR expressed in HEK293 cells assessed as inhibition of epibatadine-induced effect after 30 mins by fluoresc... |
J Med Chem 57: 3511-21 (2014)
Article DOI: 10.1021/jm500183r
BindingDB Entry DOI: 10.7270/Q2ZC84CQ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Rattus norvegicus (Rat)) | BDBM50554884
(CHEMBL4785148)Show SMILES CC[C@H](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(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)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](C)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| | 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 | 193 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at rat alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced response at -70 mV holding pot... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00975
BindingDB Entry DOI: 10.7270/Q2B56PCX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Rattus norvegicus (Rat)) | BDBM50567433
(CHEMBL4869892)Show SMILES [H][C@]1(NC(=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](CC(N)=O)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)C)C(=O)N2)C(C)C)[C@@H](C)CC |r| | 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 | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of rat alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response by two-elect... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01973
BindingDB Entry DOI: 10.7270/Q2CN77P3 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Rattus norvegicus (Rat)) | BDBM50001696
(CHEMBL3238023)Show SMILES [H][C@@]12CCCN1C(=O)[C@]1([H])CCCN1C(=O)[C@@]([H])(NC(=O)[C@H](CO)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)CN)C(=O)N1)NC2=O)C(C)C)C(O)=O)[C@H](C)O |r| Show InChI InChI=1S/C54H81N13O17S4/c1-25(2)17-31-44(73)58-32(18-29-11-13-30(70)14-12-29)45(74)63-37(54(83)84)24-88-87-23-36-49(78)60-33(20-68)46(75)65-42(28(6)69)53(82)67-16-8-10-39(67)52(81)66-15-7-9-38(66)50(79)62-35(22-86-85-21-34(48(77)61-36)57-40(71)19-55)47(76)56-27(5)43(72)64-41(26(3)4)51(80)59-31/h11-14,25-28,31-39,41-42,68-70H,7-10,15-24,55H2,1-6H3,(H,56,76)(H,57,71)(H,58,73)(H,59,80)(H,60,78)(H,61,77)(H,62,79)(H,63,74)(H,64,72)(H,65,75)(H,83,84)/t27-,28-,31-,32-,33-,34-,35-,36-,37-,38-,39-,41-,42-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 265 | n/a | n/a | n/a | n/a | n/a | n/a |
Torrey Pines Institute for Molecular Studies
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha3beta4 nAChR expressed in HEK293 cells assessed as inhibition of epibatadine-induced effect after 30 mins by fluoresc... |
J Med Chem 57: 3511-21 (2014)
Article DOI: 10.1021/jm500183r
BindingDB Entry DOI: 10.7270/Q2ZC84CQ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Rattus norvegicus (Rat)) | BDBM50516309
(CHEMBL4594009)Show SMILES CC[C@H](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(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)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/C66H98N22O22S4/c1-6-30(4)51-64(108)82-40(52(69)96)23-111-113-26-43-60(104)81-39(22-89)57(101)80-38(16-33-21-71-28-73-33)66(110)87-13-7-9-44(87)61(105)74-31(5)53(97)83-42(25-114-112-24-41(58(102)84-43)75-47(91)19-67)59(103)77-35(17-46(68)90)56(100)85-50(29(2)3)63(107)78-36(18-49(94)95)55(99)79-37(15-32-20-70-27-72-32)65(109)88-14-8-10-45(88)62(106)76-34(54(98)86-51)11-12-48(92)93/h20-21,27-31,34-45,50-51,89H,6-19,22-26,67H2,1-5H3,(H2,68,90)(H2,69,96)(H,70,72)(H,71,73)(H,74,105)(H,75,91)(H,76,106)(H,77,103)(H,78,107)(H,79,99)(H,80,101)(H,81,104)(H,82,108)(H,83,97)(H,84,102)(H,85,100)(H,86,98)(H,92,93)(H,94,95)/t30-,31-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,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 | 283 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at rat alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced response at -70 mV holding pot... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00975
BindingDB Entry DOI: 10.7270/Q2B56PCX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Rattus norvegicus (Rat)) | BDBM50001698
(CHEMBL3238083)Show SMILES [H][C@@]12CCCN1C(=O)[C@]1([H])CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCC)NC(=O)[C@H](CC)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)CN)C(=O)N1)NC2=O)C(O)=O |r| Show InChI InChI=1S/C60H81N15O16S4/c1-3-10-37-50(80)67-39(22-33-15-17-35(77)18-16-33)52(82)73-45(60(90)91)30-95-94-28-43-56(86)70-41(26-76)53(83)69-40(23-34-25-62-31-63-34)58(88)75-20-9-14-47(75)59(89)74-19-8-13-46(74)57(87)72-44(29-93-92-27-42(54(84)71-43)64-48(78)24-61)55(85)68-38(21-32-11-6-5-7-12-32)51(81)65-36(4-2)49(79)66-37/h5-7,11-12,15-18,25,31,36-47,76-77H,3-4,8-10,13-14,19-24,26-30,61H2,1-2H3,(H,62,63)(H,64,78)(H,65,81)(H,66,79)(H,67,80)(H,68,85)(H,69,83)(H,70,86)(H,71,84)(H,72,87)(H,73,82)(H,90,91)/t36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 298 | n/a | n/a | n/a | n/a | n/a | n/a |
Torrey Pines Institute for Molecular Studies
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha3beta4 nAChR expressed in HEK293 cells assessed as inhibition of epibatadine-induced effect after 30 mins by fluoresc... |
J Med Chem 57: 3511-21 (2014)
Article DOI: 10.1021/jm500183r
BindingDB Entry DOI: 10.7270/Q2ZC84CQ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Rattus norvegicus (Rat)) | BDBM50001699
(CHEMBL3238069)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCC)NC(=O)[C@H](CC)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)CN)C(=O)N1)NC(=O)[C@H](CC)NC2=O)C(O)=O |r| Show InChI InChI=1S/C60H83N15O16S4/c1-4-7-14-38-51(81)68-40(22-33-16-18-35(77)19-17-33)53(83)74-46(60(90)91)30-95-94-29-45-57(87)71-42(26-76)54(84)70-41(23-34-25-62-31-63-34)59(89)75-20-11-15-47(75)58(88)66-37(6-3)50(80)72-44(28-93-92-27-43(55(85)73-45)64-48(78)24-61)56(86)69-39(21-32-12-9-8-10-13-32)52(82)65-36(5-2)49(79)67-38/h8-10,12-13,16-19,25,31,36-47,76-77H,4-7,11,14-15,20-24,26-30,61H2,1-3H3,(H,62,63)(H,64,78)(H,65,82)(H,66,88)(H,67,79)(H,68,81)(H,69,86)(H,70,84)(H,71,87)(H,72,80)(H,73,85)(H,74,83)(H,90,91)/t36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 307 | n/a | n/a | n/a | n/a | n/a | n/a |
Torrey Pines Institute for Molecular Studies
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha3beta4 nAChR expressed in HEK293 cells assessed as inhibition of epibatadine-induced effect after 30 mins by fluoresc... |
J Med Chem 57: 3511-21 (2014)
Article DOI: 10.1021/jm500183r
BindingDB Entry DOI: 10.7270/Q2ZC84CQ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Rattus norvegicus (Rat)) | BDBM50554886
(CHEMBL4782240)Show SMILES CC[C@H](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(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)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 |r| | 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 | 309 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at rat alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced response at -70 mV holding pot... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00975
BindingDB Entry DOI: 10.7270/Q2B56PCX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Rattus norvegicus (Rat)) | BDBM50001700
(CHEMBL3238070)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCC)NC(=O)[C@H](CO)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCC)NC(=O)[C@H](CC)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)CN)C(=O)N1)NC(=O)[C@H](CC)NC2=O)C(O)=O |r| Show InChI InChI=1S/C60H87N13O16S4/c1-5-9-17-38-51(79)67-41(26-34-20-22-35(75)23-21-34)53(81)72-46(60(88)89)32-93-92-31-45-57(85)69-42(28-74)54(82)66-39(18-10-6-2)59(87)73-24-14-19-47(73)58(86)64-37(8-4)50(78)70-44(30-91-90-29-43(55(83)71-45)62-48(76)27-61)56(84)68-40(25-33-15-12-11-13-16-33)52(80)63-36(7-3)49(77)65-38/h11-13,15-16,20-23,36-47,74-75H,5-10,14,17-19,24-32,61H2,1-4H3,(H,62,76)(H,63,80)(H,64,86)(H,65,77)(H,66,82)(H,67,79)(H,68,84)(H,69,85)(H,70,78)(H,71,83)(H,72,81)(H,88,89)/t36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
Torrey Pines Institute for Molecular Studies
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha3beta4 nAChR expressed in HEK293 cells assessed as inhibition of epibatadine-induced effect after 30 mins by fluoresc... |
J Med Chem 57: 3511-21 (2014)
Article DOI: 10.1021/jm500183r
BindingDB Entry DOI: 10.7270/Q2ZC84CQ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Rattus norvegicus (Rat)) | BDBM50001701
(CHEMBL3238086)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCC)NC(=O)[C@H](CO)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCC)NC(=O)[C@H](CC)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)CN)C(=O)N1)NC(=O)[C@H](CC)NC2=O)C(O)=O |r| Show InChI InChI=1S/C59H85N13O16S4/c1-5-9-17-38-58(86)72-23-13-18-46(72)57(85)63-36(8-4)49(77)69-43-29-90-89-28-42(61-47(75)26-60)54(82)70-44(56(84)68-41(27-73)53(81)65-38)30-91-92-31-45(59(87)88)71-52(80)40(25-33-19-21-34(74)22-20-33)66-50(78)37(14-6-2)64-48(76)35(7-3)62-51(79)39(67-55(43)83)24-32-15-11-10-12-16-32/h10-12,15-16,19-22,35-46,73-74H,5-9,13-14,17-18,23-31,60H2,1-4H3,(H,61,75)(H,62,79)(H,63,85)(H,64,76)(H,65,81)(H,66,78)(H,67,83)(H,68,84)(H,69,77)(H,70,82)(H,71,80)(H,87,88)/t35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
Torrey Pines Institute for Molecular Studies
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha3beta4 nAChR expressed in HEK293 cells assessed as inhibition of epibatadine-induced effect after 30 mins by fluoresc... |
J Med Chem 57: 3511-21 (2014)
Article DOI: 10.1021/jm500183r
BindingDB Entry DOI: 10.7270/Q2ZC84CQ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Rattus norvegicus (Rat)) | BDBM50459663
(CHEMBL4204149)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)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)C)C(=O)N2 |r| Show InChI InChI=1S/C60H94N18O19S5/c1-7-29(4)46-58(95)72-37(47(62)84)23-99-101-25-39-54(91)70-35(21-79)51(88)69-34(18-31-20-63-27-64-31)59(96)77-15-8-10-41(77)55(92)75-45(28(2)3)57(94)74-40(26-102-100-24-38(52(89)73-39)66-43(81)19-61)53(90)68-32(12-13-44(82)83)49(86)65-30(5)48(85)67-33(14-17-98-6)50(87)71-36(22-80)60(97)78-16-9-11-42(78)56(93)76-46/h20,27-30,32-42,45-46,79-80H,7-19,21-26,61H2,1-6H3,(H2,62,84)(H,63,64)(H,65,86)(H,66,81)(H,67,85)(H,68,90)(H,69,88)(H,70,91)(H,71,87)(H,72,95)(H,73,89)(H,74,94)(H,75,92)(H,76,93)(H,82,83)/t29-,30-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,45-,46-/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 | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha3beta4 nACHR expressed in Xenopus laevis oocytes assessed as inhibition of acetyl choline-induced membrane currents p... |
J Med Chem 61: 9256-9265 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00967
BindingDB Entry DOI: 10.7270/Q2B27XWW |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Rattus norvegicus (Rat)) | BDBM50554891
(CHEMBL4753165)Show SMILES CC[C@H](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(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)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| | 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 | 325 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at rat alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced response at -70 mV holding pot... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00975
BindingDB Entry DOI: 10.7270/Q2B56PCX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Rattus norvegicus (Rat)) | BDBM50516329
(CHEMBL4467363)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CCCCC(O)=O)NC1=O)[C@@H](C)CC)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 |r| Show InChI InChI=1S/C72H107N23O21S4/c1-6-35(3)56-69(113)84-41(12-8-9-15-54(98)99)60(104)86-44(21-39-25-76-33-79-39)71(115)95-19-11-14-52(95)68(112)83-42(16-17-55(100)101)61(105)92-57(36(4)7-2)70(114)89-47(58(74)102)28-117-119-31-50-66(110)88-46(27-96)63(107)87-45(22-40-26-77-34-80-40)72(116)94-18-10-13-51(94)67(111)81-37(5)59(103)90-49(30-120-118-29-48(64(108)91-50)82-53(97)23-73)65(109)85-43(62(106)93-56)20-38-24-75-32-78-38/h24-26,32-37,41-52,56-57,96H,6-23,27-31,73H2,1-5H3,(H2,74,102)(H,75,78)(H,76,79)(H,77,80)(H,81,111)(H,82,97)(H,83,112)(H,84,113)(H,85,109)(H,86,104)(H,87,107)(H,88,110)(H,89,114)(H,90,103)(H,91,108)(H,92,105)(H,93,106)(H,98,99)(H,100,101)/t35-,36-,37-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,56-,57-/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 | 341 | 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 alpha3beta4 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
BindingDB Entry DOI: 10.7270/Q2GQ7231 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Rattus norvegicus (Rat)) | BDBM50001702
(CHEMBL3238084)Show SMILES [H][C@@]12CCCN1C(=O)[C@]1([H])CCCN1C(=O)[C@H](CCCC)NC(=O)[C@H](CO)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCC)NC(=O)[C@H](CC)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)CN)C(=O)N1)NC2=O)C(O)=O |r| Show InChI InChI=1S/C60H85N13O16S4/c1-4-7-16-38-58(86)73-24-12-18-47(73)59(87)72-23-11-17-46(72)57(85)70-44-31-91-90-29-42(62-48(76)27-61)54(82)69-43(56(84)68-41(28-74)53(81)65-38)30-92-93-32-45(60(88)89)71-52(80)40(26-34-19-21-35(75)22-20-34)66-50(78)37(13-5-2)64-49(77)36(6-3)63-51(79)39(67-55(44)83)25-33-14-9-8-10-15-33/h8-10,14-15,19-22,36-47,74-75H,4-7,11-13,16-18,23-32,61H2,1-3H3,(H,62,76)(H,63,79)(H,64,77)(H,65,81)(H,66,78)(H,67,83)(H,68,84)(H,69,82)(H,70,85)(H,71,80)(H,88,89)/t36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 345 | n/a | n/a | n/a | n/a | n/a | n/a |
Torrey Pines Institute for Molecular Studies
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha3beta4 nAChR expressed in HEK293 cells assessed as inhibition of epibatadine-induced effect after 30 mins by fluoresc... |
J Med Chem 57: 3511-21 (2014)
Article DOI: 10.1021/jm500183r
BindingDB Entry DOI: 10.7270/Q2ZC84CQ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Rattus norvegicus (Rat)) | BDBM50238612
(CHEMBL4089727)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CSSC[C@@H](NC1=O)C(O)=O)NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2)C(C)C |r| Show InChI InChI=1S/C63H95N21O19S4/c1-8-29(4)48-60(99)80-42(63(102)103)25-107-104-22-39(73-46(87)18-64)54(93)79-41-24-106-105-23-40(78-50(89)31(6)70-57(96)43-11-10-14-84(43)62(101)37(16-34-20-67-27-69-34)76-53(92)38(21-85)77-56(41)95)55(94)74-36(17-45(65)86)52(91)81-47(28(2)3)59(98)71-30(5)49(88)72-32(7)61(100)83-13-9-12-44(83)58(97)75-35(51(90)82-48)15-33-19-66-26-68-33/h19-20,26-32,35-44,47-48,85H,8-18,21-25,64H2,1-7H3,(H2,65,86)(H,66,68)(H,67,69)(H,70,96)(H,71,98)(H,72,88)(H,73,87)(H,74,94)(H,75,97)(H,76,92)(H,77,95)(H,78,89)(H,79,93)(H,80,99)(H,81,91)(H,82,90)(H,102,103)/t29-,30-,31-,32-,35-,36-,37-,38-,39-,40-,41-,42+,43-,44-,47-,48-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Inhibition of 5-HT uptake in rat synaptosomal fraction |
J Med Chem 60: 5826-5833 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00546
BindingDB Entry DOI: 10.7270/Q28C9ZHM |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Rattus norvegicus (Rat)) | BDBM50516307
(CHEMBL4445542)Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CCCCC(O)=O)NC1=O)[C@@H](C)CC)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 |r| Show InChI InChI=1S/C72H107N23O21S4/c1-5-7-12-41-60(104)83-42(13-8-9-16-55(98)99)61(105)87-45(22-39-26-76-34-79-39)71(115)95-20-11-15-53(95)69(113)85-43(17-18-56(100)101)62(106)93-57(36(3)6-2)70(114)90-48(58(74)102)29-117-119-32-51-67(111)89-47(28-96)64(108)88-46(23-40-27-77-35-80-40)72(116)94-19-10-14-52(94)68(112)81-37(4)59(103)91-50(31-120-118-30-49(65(109)92-51)82-54(97)24-73)66(110)86-44(63(107)84-41)21-38-25-75-33-78-38/h25-27,33-37,41-53,57,96H,5-24,28-32,73H2,1-4H3,(H2,74,102)(H,75,78)(H,76,79)(H,77,80)(H,81,112)(H,82,97)(H,83,104)(H,84,107)(H,85,113)(H,86,110)(H,87,105)(H,88,108)(H,89,111)(H,90,114)(H,91,103)(H,92,109)(H,93,106)(H,98,99)(H,100,101)/t36-,37-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,57-/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 | 380 | 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 alpha3beta4 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
BindingDB Entry DOI: 10.7270/Q2GQ7231 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Rattus norvegicus (Rat)) | BDBM50459662
(CHEMBL4203278)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)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)C)C(=O)N2 |r| Show InChI InChI=1S/C59H92N18O19S5/c1-7-28(4)45-57(94)71-36(46(61)83)22-98-100-24-38-53(90)69-34(20-78)50(87)68-33(16-30-19-62-26-63-30)58(95)76-13-8-10-40(76)54(91)74-44(27(2)3)56(93)73-39(25-101-99-23-37(51(88)72-38)65-42(80)18-60)52(89)67-32(17-43(81)82)49(86)64-29(5)47(84)66-31(12-15-97-6)48(85)70-35(21-79)59(96)77-14-9-11-41(77)55(92)75-45/h19,26-29,31-41,44-45,78-79H,7-18,20-25,60H2,1-6H3,(H2,61,83)(H,62,63)(H,64,86)(H,65,80)(H,66,84)(H,67,89)(H,68,87)(H,69,90)(H,70,85)(H,71,94)(H,72,88)(H,73,93)(H,74,91)(H,75,92)(H,81,82)/t28-,29-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,44-,45-/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 | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha3beta4 nACHR expressed in Xenopus laevis oocytes assessed as inhibition of acetyl choline-induced membrane currents p... |
J Med Chem 61: 9256-9265 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00967
BindingDB Entry DOI: 10.7270/Q2B27XWW |
More data for this
Ligand-Target Pair | |
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