Found 53 hits Enz. Inhib. hit(s) with all data for entry = 50049303 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 |
|---|
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/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
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha6/alpha3beta4 nACHR expressed in xenopous laevis oocyte assessed as inhibition of ACh induced channel current at -70 ... |
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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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/alpha-6/beta-4
(Rattus norvegicus (Rat)) | BDBM50238616
(CHEMBL3104238)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@]([H])(NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@]([H])(CSSC[C@H](NC(=O)[C@@]([H])(NC(=O)[C@H](CCC(N)=O)NC2=O)[C@@H](C)CC)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@@]2([H])C(=O)N[C@@H](C(C)C)C(=O)N1)[C@@H](C)O)C(C)C |r| Show InChI InChI=1S/C79H125N27O25S4/c1-8-36(6)59-74(127)96-46(61(84)114)29-132-133-30-47-66(119)95-45(28-107)65(118)94-43(25-55(83)111)77(130)106-22-12-16-52(106)71(124)100-57(34(2)3)73(126)99-49(32-135-134-31-48(67(120)97-47)98-70(123)51-15-11-21-105(51)78(131)44(26-56(112)113)92-62(115)39(80)13-9-19-88-79(85)86)68(121)103-60(37(7)108)75(128)101-58(35(4)5)72(125)91-41(23-38-27-87-33-89-38)64(117)93-42(24-54(82)110)76(129)104-20-10-14-50(104)69(122)90-40(63(116)102-59)17-18-53(81)109/h27,33-37,39-52,57-60,107-108H,8-26,28-32,80H2,1-7H3,(H2,81,109)(H2,82,110)(H2,83,111)(H2,84,114)(H,87,89)(H,90,122)(H,91,125)(H,92,115)(H,93,117)(H,94,118)(H,95,119)(H,96,127)(H,97,120)(H,98,123)(H,99,126)(H,100,124)(H,101,128)(H,102,116)(H,103,121)(H,112,113)(H4,85,86,88)/t36-,37+,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,57-,58-,59-,60-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha6/alpha3beta4 nACHR expressed in xenopous laevis oocyte assessed as inhibition of ACh induced channel current after 6... |
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)) | 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/alpha-6/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
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha6/alpha3beta4 nACHR expressed in xenopous laevis oocyte assessed as inhibition of ACh induced channel current after 5... |
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/alpha-6/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
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha6/alpha3beta4 nACHR expressed in xenopous laevis oocyte assessed as inhibition of ACh induced channel current after 5... |
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/alpha-6/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
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Inhibition of noradrenaline 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/alpha-6/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
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha6/alpha3beta4 nACHR expressed in xenopous laevis oocyte assessed as inhibition of ACh induced channel current after 5... |
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/alpha-6/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
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Inhibition of noradrenaline 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)) | 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/alpha-6/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
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Inhibition of noradrenaline 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/alpha-6/beta-4
(Rattus norvegicus (Rat)) | BDBM50238582
(CHEMBL4105157)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)C(=O)N[C@@H](CCCN)C(=O)N1CCC[C@H]1C(=O)N2)C(C)C |r| Show InChI InChI=1S/C53H83N15O15S4/c1-25(2)17-32-45(75)61-33(18-29-11-13-30(70)14-12-29)46(76)64-35(42(56)72)21-84-86-24-38-50(80)63-34(20-69)47(77)57-27(5)43(73)60-31(9-7-15-54)53(83)68-16-8-10-39(68)51(81)66-37(23-87-85-22-36(49(79)65-38)59-40(71)19-55)48(78)58-28(6)44(74)67-41(26(3)4)52(82)62-32/h11-14,25-28,31-39,41,69-70H,7-10,15-24,54-55H2,1-6H3,(H2,56,72)(H,57,77)(H,58,78)(H,59,71)(H,60,73)(H,61,75)(H,62,82)(H,63,80)(H,64,76)(H,65,79)(H,66,81)(H,67,74)/t27-,28-,31-,32-,33-,34-,35+,36-,37-,38-,39-,41-/m0/s1 | PDB
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UniChem
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PubMed
| n/a | n/a | 58 | 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)) | 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/alpha-6/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
KEGG
UniProtKB/SwissProt
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha6/alpha3beta4 nACHR expressed in xenopous laevis oocyte assessed as inhibition of ACh induced channel current after 5... |
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/alpha-6/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
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 67 | 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)) | 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/alpha-6/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
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UniProtKB/SwissProt
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 101 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha6/alpha3beta4 nACHR expressed in xenopous laevis oocyte assessed as inhibition of ACh induced channel current after 5... |
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/alpha-6/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
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 147 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha6/alpha3beta4 nACHR expressed in xenopous laevis oocyte assessed as inhibition of ACh induced channel current at -80 ... |
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/alpha-6/beta-4
(Rattus norvegicus (Rat)) | BDBM50445326
(CHEMBL3104239)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](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/c1-29(2)14-35-54(97)82-41(51(68)94)23-109-111-26-44-60(103)80-39(21-88)56(99)79-38(16-33-20-70-28-72-33)65(108)86-12-6-8-45(86)61(104)73-31(5)52(95)83-43(25-112-110-24-42(58(101)84-44)74-48(91)18-66)59(102)81-40(22-89)57(100)85-50(30(3)4)63(106)77-36(17-47(67)90)55(98)78-37(15-32-19-69-27-71-32)64(107)87-13-7-9-46(87)62(105)75-34(53(96)76-35)10-11-49(92)93/h19-20,27-31,34-46,50,88-89H,6-18,21-26,66H2,1-5H3,(H2,67,90)(H2,68,94)(H,69,71)(H,70,72)(H,73,104)(H,74,91)(H,75,105)(H,76,96)(H,77,106)(H,78,98)(H,79,99)(H,80,103)(H,81,102)(H,82,97)(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
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 148 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha6/alpha3beta4 nACHR expressed in xenopous laevis oocyte assessed as inhibition of ACh induced channel current after 5... |
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/alpha-6/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
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 178 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha6/alpha3beta4 nACHR expressed in xenopous laevis oocyte assessed as inhibition of ACh induced channel current after 5... |
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/alpha-6/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
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 278 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha6/alpha3beta4 nACHR expressed in xenopous laevis oocyte assessed as inhibition of ACh induced channel current after 5... |
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)) | 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)) | BDBM50238616
(CHEMBL3104238)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@]([H])(NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@]([H])(CSSC[C@H](NC(=O)[C@@]([H])(NC(=O)[C@H](CCC(N)=O)NC2=O)[C@@H](C)CC)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@@]2([H])C(=O)N[C@@H](C(C)C)C(=O)N1)[C@@H](C)O)C(C)C |r| Show InChI InChI=1S/C79H125N27O25S4/c1-8-36(6)59-74(127)96-46(61(84)114)29-132-133-30-47-66(119)95-45(28-107)65(118)94-43(25-55(83)111)77(130)106-22-12-16-52(106)71(124)100-57(34(2)3)73(126)99-49(32-135-134-31-48(67(120)97-47)98-70(123)51-15-11-21-105(51)78(131)44(26-56(112)113)92-62(115)39(80)13-9-19-88-79(85)86)68(121)103-60(37(7)108)75(128)101-58(35(4)5)72(125)91-41(23-38-27-87-33-89-38)64(117)93-42(24-54(82)110)76(129)104-20-10-14-50(104)69(122)90-40(63(116)102-59)17-18-53(81)109/h27,33-37,39-52,57-60,107-108H,8-26,28-32,80H2,1-7H3,(H2,81,109)(H2,82,110)(H2,83,111)(H2,84,114)(H,87,89)(H,90,122)(H,91,125)(H,92,115)(H,93,117)(H,94,118)(H,95,119)(H,96,127)(H,97,120)(H,98,123)(H,99,126)(H,100,124)(H,101,128)(H,102,116)(H,103,121)(H,112,113)(H4,85,86,88)/t36-,37+,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,57-,58-,59-,60-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 518 | 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)) | BDBM50238608
(CHEMBL4073577)Show SMILES C[C@@H](O)[C@@H]1NC(=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](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2 |r| Show InChI InChI=1S/C65H89N17O22S4/c1-30-53(92)79-51(31(2)84)62(101)74-39(22-48(67)87)64(103)80-17-3-6-45(80)60(99)72-37(23-50(89)90)55(94)76-41(52(68)91)26-105-107-28-43-59(98)75-40(25-83)56(95)73-38(21-33-11-15-35(86)16-12-33)63(102)82-19-5-8-47(82)65(104)81-18-4-7-46(81)61(100)78-44(29-108-106-27-42(57(96)77-43)70-49(88)24-66)58(97)71-36(54(93)69-30)20-32-9-13-34(85)14-10-32/h9-16,30-31,36-47,51,83-86H,3-8,17-29,66H2,1-2H3,(H2,67,87)(H2,68,91)(H,69,93)(H,70,88)(H,71,97)(H,72,99)(H,73,95)(H,74,101)(H,75,98)(H,76,94)(H,77,96)(H,78,100)(H,79,92)(H,89,90)/t30-,31+,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,51-/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 | 750 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Inhibition of noradrenaline 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)) | BDBM50238582
(CHEMBL4105157)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)C(=O)N[C@@H](CCCN)C(=O)N1CCC[C@H]1C(=O)N2)C(C)C |r| Show InChI InChI=1S/C53H83N15O15S4/c1-25(2)17-32-45(75)61-33(18-29-11-13-30(70)14-12-29)46(76)64-35(42(56)72)21-84-86-24-38-50(80)63-34(20-69)47(77)57-27(5)43(73)60-31(9-7-15-54)53(83)68-16-8-10-39(68)51(81)66-37(23-87-85-22-36(49(79)65-38)59-40(71)19-55)48(78)58-28(6)44(74)67-41(26(3)4)52(82)62-32/h11-14,25-28,31-39,41,69-70H,7-10,15-24,54-55H2,1-6H3,(H2,56,72)(H,57,77)(H,58,78)(H,59,71)(H,60,73)(H,61,75)(H,62,82)(H,63,80)(H,64,76)(H,65,79)(H,66,81)(H,67,74)/t27-,28-,31-,32-,33-,34-,35+,36-,37-,38-,39-,41-/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 | 1.20E+3 | 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)) | BDBM50445326
(CHEMBL3104239)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](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/c1-29(2)14-35-54(97)82-41(51(68)94)23-109-111-26-44-60(103)80-39(21-88)56(99)79-38(16-33-20-70-28-72-33)65(108)86-12-6-8-45(86)61(104)73-31(5)52(95)83-43(25-112-110-24-42(58(101)84-44)74-48(91)18-66)59(102)81-40(22-89)57(100)85-50(30(3)4)63(106)77-36(17-47(67)90)55(98)78-37(15-32-19-69-27-71-32)64(107)87-13-7-9-46(87)62(105)75-34(53(96)76-35)10-11-49(92)93/h19-20,27-31,34-46,50,88-89H,6-18,21-26,66H2,1-5H3,(H2,67,90)(H2,68,94)(H,69,71)(H,70,72)(H,73,104)(H,74,91)(H,75,105)(H,76,96)(H,77,106)(H,78,98)(H,79,99)(H,80,103)(H,81,102)(H,82,97)(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
| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Inhibition of noradrenaline 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/alpha-6/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
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Inhibition of noradrenaline 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-7
(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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha7 nACHR expressed in xenopous laevis oocyte assessed as inhibition of ACh induced channel current after 5 mins at -70... |
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 | |
Nicotinic acetylcholine receptor alpha9/alpha10
(RAT-Rattus norvegicus) | 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
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha9alpha10 nACHR expressed in xenopous laevis oocyte assessed as inhibition of ACh induced channel current after 5 mins... |
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)) | BDBM50238588
(CHEMBL4099937)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(=O)N2 |r| Show InChI InChI=1S/C57H90N18O18S5/c1-6-27(2)43-55(91)70-36(44(59)80)22-95-97-25-39-52(88)68-34(20-77)49(85)66-32(16-30-18-60-26-61-30)56(92)74-13-7-11-40(74)53(89)63-29(4)46(82)71-38(24-98-96-23-37(50(86)72-39)64-42(79)17-58)51(87)67-33(19-76)48(84)62-28(3)45(81)65-31(10-9-15-94-5)47(83)69-35(21-78)57(93)75-14-8-12-41(75)54(90)73-43/h18,26-29,31-41,43,76-78H,6-17,19-25,58H2,1-5H3,(H2,59,80)(H,60,61)(H,62,84)(H,63,89)(H,64,79)(H,65,81)(H,66,85)(H,67,87)(H,68,88)(H,69,83)(H,70,91)(H,71,82)(H,72,86)(H,73,90)/t27-,28-,29-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,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 | >1.00E+4 | 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)) | BDBM50238618
(CHEMBL4081935)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)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N2 |r| Show InChI InChI=1S/C57H92N18O18S5/c1-8-27(4)43-56(92)70-36(44(59)80)21-95-97-23-38-52(88)68-34(19-77)50(86)66-32(15-30-17-60-25-61-30)48(84)62-29(6)46(82)73-42(26(2)3)55(91)72-39(24-98-96-22-37(51(87)71-38)64-41(79)16-58)53(89)67-33(18-76)49(85)63-28(5)45(81)65-31(11-10-14-94-7)47(83)69-35(20-78)57(93)75-13-9-12-40(75)54(90)74-43/h17,25-29,31-40,42-43,76-78H,8-16,18-24,58H2,1-7H3,(H2,59,80)(H,60,61)(H,62,84)(H,63,85)(H,64,79)(H,65,81)(H,66,86)(H,67,89)(H,68,88)(H,69,83)(H,70,92)(H,71,87)(H,72,91)(H,73,82)(H,74,90)/t27-,28-,29-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,42-,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 | >1.00E+4 | 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/alpha-6/beta-4
(Rattus norvegicus (Rat)) | BDBM50238587
(CHEMBL4092192)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](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N2 |r| Show InChI InChI=1S/C56H92N16O18S5/c1-8-27(4)42-54(88)66-34(43(58)77)22-92-94-24-36-49(83)64-32(20-74)47(81)60-29(6)55(89)71-15-9-13-38(71)51(85)69-41(26(2)3)53(87)68-37(25-95-93-23-35(48(82)67-36)61-40(76)18-57)50(84)63-31(19-73)46(80)59-28(5)44(78)62-30(12-11-17-91-7)45(79)65-33(21-75)56(90)72-16-10-14-39(72)52(86)70-42/h26-39,41-42,73-75H,8-25,57H2,1-7H3,(H2,58,77)(H,59,80)(H,60,81)(H,61,76)(H,62,78)(H,63,84)(H,64,83)(H,65,79)(H,66,88)(H,67,82)(H,68,87)(H,69,85)(H,70,86)/t27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,41-,42-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha6/alpha3beta4 nACHR expressed in xenopous laevis oocyte assessed as inhibition of ACh induced channel current after 5... |
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-2/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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha2beta4 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)) | BDBM50238613
(CHEMBL4061690)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)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/C56H88N18O18S4/c1-7-26(4)42-54(90)68-34(43(58)79)20-93-95-22-36-49(85)66-32(18-76)47(83)64-30(14-29-16-59-24-60-29)55(91)73-12-8-10-38(73)51(87)71-41(25(2)3)53(89)70-37(23-96-94-21-35(48(84)69-36)63-40(78)15-57)50(86)65-31(17-75)46(82)62-27(5)44(80)61-28(6)45(81)67-33(19-77)56(92)74-13-9-11-39(74)52(88)72-42/h16,24-28,30-39,41-42,75-77H,7-15,17-23,57H2,1-6H3,(H2,58,79)(H,59,60)(H,61,80)(H,62,82)(H,63,78)(H,64,83)(H,65,86)(H,66,85)(H,67,81)(H,68,90)(H,69,84)(H,70,89)(H,71,87)(H,72,88)/t26-,27-,28-,30-,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 | >1.00E+4 | 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-2
(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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha3beta2 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/alpha-6/beta-4
(Rattus norvegicus (Rat)) | BDBM50238614
(CHEMBL4089306)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=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/C57H92N18O18S5/c1-8-27(4)43-56(92)70-36(44(59)80)21-95-97-23-38-52(88)69-35(20-78)50(86)66-32(15-30-17-60-25-61-30)57(93)75-13-9-12-40(75)54(90)73-42(26(2)3)55(91)72-39(24-98-96-22-37(51(87)71-38)64-41(79)16-58)53(89)68-34(19-77)49(85)62-28(5)45(81)65-31(11-10-14-94-7)47(83)67-33(18-76)48(84)63-29(6)46(82)74-43/h17,25-29,31-40,42-43,76-78H,8-16,18-24,58H2,1-7H3,(H2,59,80)(H,60,61)(H,62,85)(H,63,84)(H,64,79)(H,65,81)(H,66,86)(H,67,83)(H,68,89)(H,69,88)(H,70,92)(H,71,87)(H,72,91)(H,73,90)(H,74,82)/t27-,28-,29-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,42-,43-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
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 |
Hainan University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha6/alpha3beta4 nACHR expressed in xenopous laevis oocyte assessed as inhibition of ACh induced channel current after 5... |
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 | |
Acetylcholine receptor subunit alpha/beta/delta/epsilon
(MOUSE-Mus musculus) | 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
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | 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)) | BDBM50238587
(CHEMBL4092192)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](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N2 |r| Show InChI InChI=1S/C56H92N16O18S5/c1-8-27(4)42-54(88)66-34(43(58)77)22-92-94-24-36-49(83)64-32(20-74)47(81)60-29(6)55(89)71-15-9-13-38(71)51(85)69-41(26(2)3)53(87)68-37(25-95-93-23-35(48(82)67-36)61-40(76)18-57)50(84)63-31(19-73)46(80)59-28(5)44(78)62-30(12-11-17-91-7)45(79)65-33(21-75)56(90)72-16-10-14-39(72)52(86)70-42/h26-39,41-42,73-75H,8-25,57H2,1-7H3,(H2,58,77)(H,59,80)(H,60,81)(H,61,76)(H,62,78)(H,63,84)(H,64,83)(H,65,79)(H,66,88)(H,67,82)(H,68,87)(H,69,85)(H,70,86)/t27-,28-,29-,30-,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 | >1.00E+4 | 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/alpha-6/beta-4
(Rattus norvegicus (Rat)) | BDBM50238588
(CHEMBL4099937)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(=O)N2 |r| Show InChI InChI=1S/C57H90N18O18S5/c1-6-27(2)43-55(91)70-36(44(59)80)22-95-97-25-39-52(88)68-34(20-77)49(85)66-32(16-30-18-60-26-61-30)56(92)74-13-7-11-40(74)53(89)63-29(4)46(82)71-38(24-98-96-23-37(50(86)72-39)64-42(79)17-58)51(87)67-33(19-76)48(84)62-28(3)45(81)65-31(10-9-15-94-5)47(83)69-35(21-78)57(93)75-14-8-12-41(75)54(90)73-43/h18,26-29,31-41,43,76-78H,6-17,19-25,58H2,1-5H3,(H2,59,80)(H,60,61)(H,62,84)(H,63,89)(H,64,79)(H,65,81)(H,66,85)(H,67,87)(H,68,88)(H,69,83)(H,70,91)(H,71,82)(H,72,86)(H,73,90)/t27-,28-,29-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,43-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha6/alpha3beta4 nACHR expressed in xenopous laevis oocyte assessed as inhibition of ACh induced channel current after 5... |
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/alpha-6/beta-4
(Rattus norvegicus (Rat)) | BDBM50238618
(CHEMBL4081935)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)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N2 |r| Show InChI InChI=1S/C57H92N18O18S5/c1-8-27(4)43-56(92)70-36(44(59)80)21-95-97-23-38-52(88)68-34(19-77)50(86)66-32(15-30-17-60-25-61-30)48(84)62-29(6)46(82)73-42(26(2)3)55(91)72-39(24-98-96-22-37(51(87)71-38)64-41(79)16-58)53(89)67-33(18-76)49(85)63-28(5)45(81)65-31(11-10-14-94-7)47(83)69-35(20-78)57(93)75-13-9-12-40(75)54(90)74-43/h17,25-29,31-40,42-43,76-78H,8-16,18-24,58H2,1-7H3,(H2,59,80)(H,60,61)(H,62,84)(H,63,85)(H,64,79)(H,65,81)(H,66,86)(H,67,89)(H,68,88)(H,69,83)(H,70,92)(H,71,87)(H,72,91)(H,73,82)(H,74,90)/t27-,28-,29-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,42-,43-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha6/alpha3beta4 nACHR expressed in xenopous laevis oocyte assessed as inhibition of ACh induced channel current after 5... |
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)) | BDBM50238614
(CHEMBL4089306)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=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/C57H92N18O18S5/c1-8-27(4)43-56(92)70-36(44(59)80)21-95-97-23-38-52(88)69-35(20-78)50(86)66-32(15-30-17-60-25-61-30)57(93)75-13-9-12-40(75)54(90)73-42(26(2)3)55(91)72-39(24-98-96-22-37(51(87)71-38)64-41(79)16-58)53(89)68-34(19-77)49(85)62-28(5)45(81)65-31(11-10-14-94-7)47(83)67-33(18-76)48(84)63-29(6)46(82)74-43/h17,25-29,31-40,42-43,76-78H,8-16,18-24,58H2,1-7H3,(H2,59,80)(H,60,61)(H,62,85)(H,63,84)(H,64,79)(H,65,81)(H,66,86)(H,67,83)(H,68,89)(H,69,88)(H,70,92)(H,71,87)(H,72,91)(H,73,90)(H,74,82)/t27-,28-,29-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,42-,43-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
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 |
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-4/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
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha4beta4 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 | |
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