Found 65 hits of ic50 for UniProtKB: P32297 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/alpha-6/beta-4
(Homo sapiens (Human)) | 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
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human alpha6/alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response mea... |
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/alpha-6/beta-4
(Homo sapiens (Human)) | BDBM50567430
(CHEMBL4860756)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](CCCNC(N)=N)NC(=O)[C@@H](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)C(C)C |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.240 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human alpha6/alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response mea... |
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/alpha-6/beta-4
(Homo sapiens (Human)) | BDBM50567432
(CHEMBL4876825)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](CCCNC(N)=N)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 |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.280 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human alpha6/alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response mea... |
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/alpha-6/beta-4
(Homo sapiens (Human)) | BDBM50567431
(CHEMBL4878931)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](CCCNC(N)=N)NC(=O)[C@@H](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)C(C)C)[C@@H](C)CC |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.410 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human alpha6/alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response mea... |
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/alpha-6/beta-4
(Homo sapiens (Human)) | BDBM50567427
(CHEMBL4872474)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](CCCCN)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| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human alpha6/alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response mea... |
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/alpha-6/beta-4
(Homo sapiens (Human)) | 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
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at rat alpha6/alpha3beta4 nAChR expressed in xenopus oocytes assessed as inhibition of Ach- induced response at -70 mV holding po... |
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/alpha-6/beta-4
(Homo sapiens (Human)) | BDBM86240
(Alpha-Conotoxin MII | Gly-L-Cys(1)-L-Cys(2)-L-Ser-...)Show SMILES CC(C)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](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CCC(O)=O)NC1=O)C(N)=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)C)C(=O)N2 Show InChI InChI=1S/C67H103N23O22S4/c1-29(2)12-35-55(100)77-34(9-10-51(96)97)54(99)80-38(15-33-20-73-28-75-33)58(103)84-41(21-91)60(105)82-39(16-48(69)93)59(104)79-36(13-30(3)4)56(101)86-43(53(71)98)23-113-115-25-45-64(109)85-42(22-92)61(106)83-40(17-49(70)94)67(112)90-11-7-8-47(90)65(110)89-52(31(5)6)66(111)88-46(26-116-114-24-44(62(107)87-45)76-50(95)18-68)63(108)81-37(57(102)78-35)14-32-19-72-27-74-32/h19-20,27-31,34-47,52,91-92H,7-18,21-26,68H2,1-6H3,(H2,69,93)(H2,70,94)(H2,71,98)(H,72,74)(H,73,75)(H,76,95)(H,77,100)(H,78,102)(H,79,104)(H,80,99)(H,81,108)(H,82,105)(H,83,106)(H,84,103)(H,85,109)(H,86,101)(H,87,107)(H,88,111)(H,89,110)(H,96,97)/t34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,52-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human alpha6/alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response mea... |
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/alpha-6/beta-4
(Homo sapiens (Human)) | BDBM50516314
(CHEMBL4462168)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2)[C@@H](C)O)C(C)C |r| Show InChI InChI=1S/C66H100N22O21S4/c1-29(2)15-36-55(98)82-41(52(69)95)23-110-112-25-43-59(102)81-40(22-89)57(100)80-39(17-34-21-71-28-73-34)66(109)87-13-7-9-45(87)61(104)74-31(5)53(96)83-44(26-113-111-24-42(58(101)84-43)75-48(92)19-67)60(103)86-51(32(6)90)64(107)85-50(30(3)4)63(106)78-37(18-47(68)91)56(99)79-38(16-33-20-70-27-72-33)65(108)88-14-8-10-46(88)62(105)76-35(54(97)77-36)11-12-49(93)94/h20-21,27-32,35-46,50-51,89-90H,7-19,22-26,67H2,1-6H3,(H2,68,91)(H2,69,95)(H,70,72)(H,71,73)(H,74,104)(H,75,92)(H,76,105)(H,77,97)(H,78,106)(H,79,99)(H,80,100)(H,81,102)(H,82,98)(H,83,96)(H,84,101)(H,85,107)(H,86,103)(H,93,94)/t31-,32+,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,50-,51-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
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 |
TBA
| Assay Description
Inhibition of human alpha6/alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response mea... |
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/alpha-6/beta-4
(Homo sapiens (Human)) | BDBM50567426
(CHEMBL4878856)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](CCCNC(N)=N)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| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human alpha6/alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response mea... |
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/alpha-6/beta-4
(Homo sapiens (Human)) | BDBM50516340
(CHEMBL4439678)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](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/C66H99N23O21S4/c1-29(2)14-35-55(99)84-41(52(70)96)23-111-113-26-44-61(105)83-40(22-90)58(102)82-39(16-33-21-72-28-74-33)66(110)88-12-6-8-45(88)62(106)75-31(5)53(97)85-43(25-114-112-24-42(59(103)86-44)76-49(93)19-67)60(104)79-37(18-48(69)92)57(101)87-51(30(3)4)64(108)80-36(17-47(68)91)56(100)81-38(15-32-20-71-27-73-32)65(109)89-13-7-9-46(89)63(107)77-34(54(98)78-35)10-11-50(94)95/h20-21,27-31,34-46,51,90H,6-19,22-26,67H2,1-5H3,(H2,68,91)(H2,69,92)(H2,70,96)(H,71,73)(H,72,74)(H,75,106)(H,76,93)(H,77,107)(H,78,98)(H,79,104)(H,80,108)(H,81,100)(H,82,102)(H,83,105)(H,84,99)(H,85,97)(H,86,103)(H,87,101)(H,94,95)/t31-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,51-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human alpha6/alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response mea... |
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/alpha-6/beta-4
(Homo sapiens (Human)) | BDBM50516342
(CHEMBL4461998)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(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/c1-6-30(4)50-63(106)81-40(51(68)94)23-109-111-26-43-59(102)79-38(21-88)55(98)78-37(16-33-20-70-28-72-33)65(108)86-13-7-9-44(86)60(103)73-31(5)52(95)82-42(25-112-110-24-41(57(100)83-43)74-47(91)18-66)58(101)80-39(22-89)56(99)84-49(29(2)3)62(105)76-35(17-46(67)90)54(97)77-36(15-32-19-69-27-71-32)64(107)87-14-8-10-45(87)61(104)75-34(53(96)85-50)11-12-48(92)93/h19-20,27-31,34-45,49-50,88-89H,6-18,21-26,66H2,1-5H3,(H2,67,90)(H2,68,94)(H,69,71)(H,70,72)(H,73,103)(H,74,91)(H,75,104)(H,76,105)(H,77,97)(H,78,98)(H,79,102)(H,80,101)(H,81,106)(H,82,95)(H,83,100)(H,84,99)(H,85,96)(H,92,93)/t30-,31-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,49-,50-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human alpha6/alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response mea... |
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/alpha-6/beta-4
(Homo sapiens (Human)) | BDBM50516316
(CHEMBL4454928)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](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(=O)N2)C(C)C |r| Show InChI InChI=1S/C68H100N24O20S4/c1-31(2)14-38-57(101)87-44(54(71)98)24-113-115-27-47-63(107)86-43(23-93)60(104)85-42(17-36-22-74-30-77-36)68(112)91-12-6-8-48(91)64(108)78-33(5)55(99)88-46(26-116-114-25-45(61(105)89-47)79-51(95)19-69)62(106)82-39(15-34-20-72-28-75-34)59(103)90-53(32(3)4)66(110)83-40(18-50(70)94)58(102)84-41(16-35-21-73-29-76-35)67(111)92-13-7-9-49(92)65(109)80-37(56(100)81-38)10-11-52(96)97/h20-22,28-33,37-49,53,93H,6-19,23-27,69H2,1-5H3,(H2,70,94)(H2,71,98)(H,72,75)(H,73,76)(H,74,77)(H,78,108)(H,79,95)(H,80,109)(H,81,100)(H,82,106)(H,83,110)(H,84,102)(H,85,104)(H,86,107)(H,87,101)(H,88,99)(H,89,105)(H,90,103)(H,96,97)/t33-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,53-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human alpha6/alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response mea... |
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/alpha-6/beta-4
(Homo sapiens (Human)) | BDBM50567413
(CHEMBL4865365)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)C)C(=O)N2)C(C)C |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
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antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human alpha6/alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response mea... |
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/alpha-6/beta-4
(Homo sapiens (Human)) | BDBM50516333
(CHEMBL4474223)Show SMILES CC(C)[C@@H]1NC(=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](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CC(N)=O)NC1=O)C(C)C)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/C64H96N22O21S4/c1-28(2)48-61(104)75-34(16-45(66)89)53(96)76-35(14-31-18-68-26-70-31)63(106)86-13-7-9-44(86)60(103)74-33(10-11-47(91)92)52(95)83-49(29(3)4)62(105)80-39(50(67)93)22-108-110-25-42-58(101)78-37(20-87)54(97)77-36(15-32-19-69-27-71-32)64(107)85-12-6-8-43(85)59(102)72-30(5)51(94)81-41(57(100)79-38(21-88)55(98)84-48)24-111-109-23-40(56(99)82-42)73-46(90)17-65/h18-19,26-30,33-44,48-49,87-88H,6-17,20-25,65H2,1-5H3,(H2,66,89)(H2,67,93)(H,68,70)(H,69,71)(H,72,102)(H,73,90)(H,74,103)(H,75,104)(H,76,96)(H,77,97)(H,78,101)(H,79,100)(H,80,105)(H,81,94)(H,82,99)(H,83,95)(H,84,98)(H,91,92)/t30-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,48-,49-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human alpha6/alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response mea... |
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/alpha-6/beta-4
(Homo sapiens (Human)) | 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
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| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human alpha6/alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response mea... |
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/alpha-6/beta-4
(Homo sapiens (Human)) | BDBM50516339
(CHEMBL4461702)Show SMILES CC[C@H](C)[C@@H]1NC(=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(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CC(N)=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/C66H100N22O21S4/c1-6-31(4)51-64(107)78-37(18-48(68)91)56(99)79-38(16-33-20-70-28-72-33)65(108)88-14-8-10-47(88)63(106)76-35(11-12-50(93)94)54(97)77-36(15-30(2)3)55(98)83-42(52(69)95)24-110-112-27-45-61(104)81-40(22-89)57(100)80-39(17-34-21-71-29-73-34)66(109)87-13-7-9-46(87)62(105)74-32(5)53(96)84-44(60(103)82-41(23-90)58(101)86-51)26-113-111-25-43(59(102)85-45)75-49(92)19-67/h20-21,28-32,35-47,51,89-90H,6-19,22-27,67H2,1-5H3,(H2,68,91)(H2,69,95)(H,70,72)(H,71,73)(H,74,105)(H,75,92)(H,76,106)(H,77,97)(H,78,107)(H,79,99)(H,80,100)(H,81,104)(H,82,103)(H,83,98)(H,84,96)(H,85,102)(H,86,101)(H,93,94)/t31-,32-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,51-/m0/s1 | PDB
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UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human alpha6/alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response mea... |
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/alpha-6/beta-4
(Homo sapiens (Human)) | BDBM50516313
(CHEMBL4459917)Show SMILES CC(C)C[C@@H]1NC(=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(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CC(N)=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/C66H100N22O21S4/c1-30(2)14-36-55(98)79-38(18-49(68)91)57(100)80-39(16-33-20-70-28-72-33)65(108)88-13-7-9-48(88)64(107)76-35(10-11-51(93)94)54(97)77-37(15-31(3)4)56(99)84-43(52(69)95)24-110-112-27-46-62(105)83-42(23-90)59(102)81-40(17-34-21-71-29-73-34)66(109)87-12-6-8-47(87)63(106)74-32(5)53(96)85-45(61(104)82-41(22-89)58(101)78-36)26-113-111-25-44(60(103)86-46)75-50(92)19-67/h20-21,28-32,35-48,89-90H,6-19,22-27,67H2,1-5H3,(H2,68,91)(H2,69,95)(H,70,72)(H,71,73)(H,74,106)(H,75,92)(H,76,107)(H,77,97)(H,78,101)(H,79,98)(H,80,100)(H,81,102)(H,82,104)(H,83,105)(H,84,99)(H,85,96)(H,86,103)(H,93,94)/t32-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human alpha6/alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response mea... |
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/alpha-6/beta-4
(Homo sapiens (Human)) | BDBM50567405
(CHEMBL4867074)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](C)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| | PDB
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UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human alpha6/alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response mea... |
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/alpha-6/beta-4
(Homo sapiens (Human)) | BDBM50587096
(CHEMBL5086388)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)N1CC(O)C[C@H]1C(=O)N1CCC[C@H]1C(=O)N2)C(C)C |r| | PDB
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UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at rat alpha6/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/alpha-6/beta-4
(Homo sapiens (Human)) | BDBM50516338
(CHEMBL4458975)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CC(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/C64H96N22O21S4/c1-28(2)12-33-52(95)81-40(50(67)93)22-108-110-25-43-59(102)79-38(20-87)55(98)78-37(14-32-19-69-27-71-32)64(107)85-10-6-8-44(85)60(103)72-30(5)51(94)82-42(24-111-109-23-41(57(100)83-43)73-47(90)17-65)58(101)80-39(21-88)56(99)84-49(29(3)4)62(105)76-34(15-46(66)89)53(96)77-36(13-31-18-68-26-70-31)63(106)86-11-7-9-45(86)61(104)75-35(16-48(91)92)54(97)74-33/h18-19,26-30,33-45,49,87-88H,6-17,20-25,65H2,1-5H3,(H2,66,89)(H2,67,93)(H,68,70)(H,69,71)(H,72,103)(H,73,90)(H,74,97)(H,75,104)(H,76,105)(H,77,96)(H,78,98)(H,79,102)(H,80,101)(H,81,95)(H,82,94)(H,83,100)(H,84,99)(H,91,92)/t30-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,49-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human alpha6/alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response mea... |
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/alpha-6/beta-4
(Homo sapiens (Human)) | BDBM50516327
(CHEMBL4538537)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=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/C65H99N23O20S4/c1-29(2)14-35-54(97)83-41(51(69)94)23-109-111-26-44-60(103)81-39(21-89)56(99)80-38(16-33-20-71-28-73-33)65(108)87-12-6-8-45(87)61(104)74-31(5)52(95)84-43(25-112-110-24-42(58(101)85-44)75-49(93)18-66)59(102)82-40(22-90)57(100)86-50(30(3)4)63(106)78-36(17-48(68)92)55(98)79-37(15-32-19-70-27-72-32)64(107)88-13-7-9-46(88)62(105)76-34(53(96)77-35)10-11-47(67)91/h19-20,27-31,34-46,50,89-90H,6-18,21-26,66H2,1-5H3,(H2,67,91)(H2,68,92)(H2,69,94)(H,70,72)(H,71,73)(H,74,104)(H,75,93)(H,76,105)(H,77,96)(H,78,106)(H,79,98)(H,80,99)(H,81,103)(H,82,102)(H,83,97)(H,84,95)(H,85,101)(H,86,100)/t31-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,50-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human alpha6/alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response mea... |
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/alpha-6/beta-4
(Homo sapiens (Human)) | BDBM50516331
(CHEMBL4583045)Show SMILES CCCC[C@@H]1NC(=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(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CC(N)=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/C66H100N22O21S4/c1-5-6-9-35-54(97)79-38(19-49(68)91)57(100)80-39(17-33-21-70-29-72-33)65(108)88-15-8-11-48(88)64(107)77-36(12-13-51(93)94)55(98)78-37(16-31(2)3)56(99)84-43(52(69)95)25-110-112-28-46-62(105)83-42(24-90)59(102)81-40(18-34-22-71-30-73-34)66(109)87-14-7-10-47(87)63(106)74-32(4)53(96)85-45(61(104)82-41(23-89)58(101)76-35)27-113-111-26-44(60(103)86-46)75-50(92)20-67/h21-22,29-32,35-48,89-90H,5-20,23-28,67H2,1-4H3,(H2,68,91)(H2,69,95)(H,70,72)(H,71,73)(H,74,106)(H,75,92)(H,76,101)(H,77,107)(H,78,98)(H,79,97)(H,80,100)(H,81,102)(H,82,104)(H,83,105)(H,84,99)(H,85,96)(H,86,103)(H,93,94)/t32-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human alpha6/alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response mea... |
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/alpha-6/beta-4
(Homo sapiens (Human)) | BDBM50567410
(CHEMBL4847671)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CC(N)=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| | PDB
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TBA
| Assay Description
Inhibition of human alpha6/alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response mea... |
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/alpha-6/beta-4
(Homo sapiens (Human)) | BDBM50516311
(CHEMBL4516107)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CC(C(O)=O)C(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/C66H98N22O23S4/c1-28(2)12-34-52(95)83-41(50(69)93)22-112-114-25-44-59(102)81-39(20-89)55(98)80-38(14-32-19-71-27-73-32)64(107)87-10-6-8-45(87)60(103)74-30(5)51(94)84-43(24-115-113-23-42(57(100)85-44)75-48(92)17-67)58(101)82-40(21-90)56(99)86-49(29(3)4)62(105)78-36(16-47(68)91)54(97)79-37(13-31-18-70-26-72-31)63(106)88-11-7-9-46(88)61(104)77-35(53(96)76-34)15-33(65(108)109)66(110)111/h18-19,26-30,33-46,49,89-90H,6-17,20-25,67H2,1-5H3,(H2,68,91)(H2,69,93)(H,70,72)(H,71,73)(H,74,103)(H,75,92)(H,76,96)(H,77,104)(H,78,105)(H,79,97)(H,80,98)(H,81,102)(H,82,101)(H,83,95)(H,84,94)(H,85,100)(H,86,99)(H,108,109)(H,110,111)/t30-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,49-/m0/s1 | PDB
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TBA
| Assay Description
Inhibition of human alpha6/alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response mea... |
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/alpha-6/beta-4
(Homo sapiens (Human)) | BDBM50516335
(CHEMBL4476528)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](CCCCC(O)=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/C68H103N21O22S4/c1-32(2)18-39-58(101)84-44(54(70)97)26-112-114-29-47-63(106)82-42(24-90)59(102)81-41(20-36-23-72-31-74-36)68(111)88-16-8-11-48(88)64(107)75-34(5)55(98)85-46(28-115-113-27-45(61(104)86-47)76-50(92)21-69)62(105)83-43(25-91)60(103)87-53(33(3)4)66(109)78-37(10-6-7-13-51(93)94)56(99)80-40(19-35-22-71-30-73-35)67(110)89-17-9-12-49(89)65(108)77-38(57(100)79-39)14-15-52(95)96/h22-23,30-34,37-49,53,90-91H,6-21,24-29,69H2,1-5H3,(H2,70,97)(H,71,73)(H,72,74)(H,75,107)(H,76,92)(H,77,108)(H,78,109)(H,79,100)(H,80,99)(H,81,102)(H,82,106)(H,83,105)(H,84,101)(H,85,98)(H,86,104)(H,87,103)(H,93,94)(H,95,96)/t34-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,53-/m0/s1 | PDB
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TBA
| Assay Description
Inhibition of human alpha6/alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response mea... |
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/alpha-6/beta-4
(Homo sapiens (Human)) | BDBM50516310
(CHEMBL4470868)Show SMILES CCCC[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2)C(C)C |r| Show InChI InChI=1S/C65H98N22O21S4/c1-5-6-9-34-53(96)82-41(51(68)94)24-109-111-27-44-60(103)80-39(22-88)56(99)79-38(17-33-21-70-29-72-33)65(108)86-14-7-10-45(86)61(104)73-31(4)52(95)83-43(26-112-110-25-42(58(101)84-44)74-48(91)19-66)59(102)81-40(23-89)57(100)85-50(30(2)3)63(106)77-36(18-47(67)90)55(98)78-37(16-32-20-69-28-71-32)64(107)87-15-8-11-46(87)62(105)76-35(54(97)75-34)12-13-49(92)93/h20-21,28-31,34-46,50,88-89H,5-19,22-27,66H2,1-4H3,(H2,67,90)(H2,68,94)(H,69,71)(H,70,72)(H,73,104)(H,74,91)(H,75,97)(H,76,105)(H,77,106)(H,78,98)(H,79,99)(H,80,103)(H,81,102)(H,82,96)(H,83,95)(H,84,101)(H,85,100)(H,92,93)/t31-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,50-/m0/s1 | PDB
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TBA
| Assay Description
Inhibition of human alpha6/alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response mea... |
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/alpha-6/beta-4
(Homo sapiens (Human)) | BDBM50516306
(CHEMBL4438403)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](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/C63H94N22O21S4/c1-28(2)13-34-53(96)81-40(49(66)92)22-107-109-25-43-59(102)80-39(21-87)56(99)78-37(15-32-19-68-27-70-32)63(106)84-11-5-7-44(84)60(103)72-30(4)51(94)82-42(24-110-108-23-41(57(100)83-43)73-47(89)17-64)58(101)79-38(20-86)55(98)71-29(3)50(93)75-35(16-46(65)88)54(97)77-36(14-31-18-67-26-69-31)62(105)85-12-6-8-45(85)61(104)74-33(52(95)76-34)9-10-48(90)91/h18-19,26-30,33-45,86-87H,5-17,20-25,64H2,1-4H3,(H2,65,88)(H2,66,92)(H,67,69)(H,68,70)(H,71,98)(H,72,103)(H,73,89)(H,74,104)(H,75,93)(H,76,95)(H,77,97)(H,78,99)(H,79,101)(H,80,102)(H,81,96)(H,82,94)(H,83,100)(H,90,91)/t29-,30-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-/m0/s1 | PDB
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TBA
| Assay Description
Inhibition of human alpha6/alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response mea... |
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/alpha-6/beta-4
(Homo sapiens (Human)) | BDBM50567409
(CHEMBL4867777)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](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
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TBA
| Assay Description
Inhibition of human alpha6/alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response mea... |
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/alpha-6/beta-4
(Homo sapiens (Human)) | BDBM50567411
(CHEMBL4856451)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=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| | PDB
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TBA
| Assay Description
Inhibition of human alpha6/alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response mea... |
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/alpha-6/beta-4
(Homo sapiens (Human)) | BDBM50567420
(CHEMBL4862476)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](CCO)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
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TBA
| Assay Description
Inhibition of human alpha6/alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response mea... |
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/alpha-6/beta-4
(Homo sapiens (Human)) | BDBM50567417
(CHEMBL4846904)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](C(C)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
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TBA
| Assay Description
Inhibition of human alpha6/alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response mea... |
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/alpha-6/beta-4
(Homo sapiens (Human)) | BDBM50567414
(CHEMBL4851682)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](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2)C(C)C |r| | PDB
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TBA
| Assay Description
Inhibition of human alpha6/alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response mea... |
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/alpha-6/beta-4
(Homo sapiens (Human)) | BDBM50445325
(CHEMBL3104238)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCCN=C(N)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](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N2)[C@@H](C)O)C(C)C |r,wU:74.77,66.73,55.57,101.105,118.122,50.133,42.137,24.25,17.21,4.3,wD:59.60,86.88,107.111,122.127,46.134,129.136,32.33,8.8,2.2,91.98,(66.49,-32.86,;65.08,-32.24,;63.83,-33.16,;64.02,-34.68,;62.43,-32.53,;62.25,-31.01,;63.49,-30.09,;64.9,-30.71,;63.31,-28.57,;61.9,-27.95,;60.66,-28.86,;59.25,-28.25,;59.09,-26.73,;58.02,-29.17,;64.55,-27.65,;64.38,-26.11,;62.97,-25.51,;65.62,-25.21,;67,-25.9,;67.96,-24.53,;66.95,-23.19,;65.37,-23.73,;64.06,-22.94,;62.71,-23.69,;64.08,-21.4,;65.43,-20.65,;65.44,-19.11,;64.12,-18.32,;66.79,-18.36,;62.75,-20.6,;61.4,-21.35,;61.39,-22.89,;60.09,-20.56,;58.74,-21.31,;58.72,-22.85,;59.95,-23.78,;59.45,-25.22,;57.91,-25.2,;57.46,-23.74,;60.11,-19.03,;58.8,-18.23,;57.45,-18.99,;58.82,-16.7,;57.5,-15.9,;56.11,-15.26,;55.97,-13.72,;54.85,-16.13,;53.46,-15.48,;52.19,-16.37,;52.32,-17.91,;50.8,-15.72,;50.67,-14.18,;51.32,-12.42,;30.25,-15.39,;28.35,-17.6,;28.36,-19.15,;27.03,-19.93,;25.7,-19.18,;25.68,-17.64,;24.37,-19.97,;24.47,-21.5,;22.84,-21.86,;22,-20.42,;23.11,-19.17,;22.9,-17.64,;24.05,-16.63,;21.44,-17.14,;21.14,-15.62,;22.3,-14.61,;23.75,-15.11,;22,-13.11,;20.28,-18.15,;18.83,-17.66,;18.52,-16.14,;17.66,-18.67,;17.96,-20.17,;16.21,-18.17,;15.91,-16.66,;14.46,-16.17,;14.17,-14.65,;12.7,-14.16,;12.41,-12.65,;11.55,-15.17,;29.71,-19.9,;29.72,-21.45,;31.03,-19.12,;32.37,-19.88,;32.39,-21.41,;33.72,-22.17,;57.48,-36.19,;58.72,-35.28,;60.12,-35.9,;61.37,-34.98,;61.18,-33.46,;59.79,-32.84,;60.3,-37.42,;59.07,-38.34,;61.72,-38.04,;33.69,-19.09,;33.67,-17.55,;35.03,-19.85,;36.36,-19.06,;36.34,-17.53,;37.67,-16.75,;37.7,-19.81,;37.72,-21.36,;39.03,-19.03,;40.36,-19.79,;40.38,-21.33,;41.72,-22.09,;41.74,-23.62,;43.05,-21.29,;41.69,-19,;43.03,-19.76,;41.67,-17.46,;40.39,-16.39,;40.99,-14.83,;42.67,-14.94,;42.79,-16.48,;44.23,-17.05,;44.36,-18.59,;45.49,-16.18,;46.89,-16.82,;47.02,-18.36,;48.4,-19.01,;45.75,-19.24,;48.14,-15.94,;48.01,-14.41,;49.53,-16.59,;54.98,-17.67,;53.72,-18.55,;56.37,-18.32,;60.17,-15.94,;61.48,-16.75,;60.18,-14.41,)| 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
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Hainan University
Curated by ChEMBL
| Assay Description
Antagonist activity at human alpha6alpha3beta4 nAChR expressed in Xenopus oocytes assessed as inhibition of ACh-induced current by voltage clamp elec... |
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/alpha-6/beta-4
(Homo sapiens (Human)) | BDBM50516315
(CHEMBL4515208)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](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(=O)N2)C(C)C |r| Show InChI InChI=1S/C71H102N22O21S4/c1-33(2)18-41-60(103)88-47(57(74)100)27-115-117-30-50-66(109)87-46(26-94)63(106)86-45(21-38-25-76-32-78-38)71(114)92-16-6-8-51(92)67(110)79-35(5)58(101)89-49(29-118-116-28-48(64(107)90-50)80-54(97)23-72)65(108)83-42(19-36-10-12-39(95)13-11-36)62(105)91-56(34(3)4)69(112)84-43(22-53(73)96)61(104)85-44(20-37-24-75-31-77-37)70(113)93-17-7-9-52(93)68(111)81-40(59(102)82-41)14-15-55(98)99/h10-13,24-25,31-35,40-52,56,94-95H,6-9,14-23,26-30,72H2,1-5H3,(H2,73,96)(H2,74,100)(H,75,77)(H,76,78)(H,79,110)(H,80,97)(H,81,111)(H,82,102)(H,83,108)(H,84,112)(H,85,104)(H,86,106)(H,87,109)(H,88,103)(H,89,101)(H,90,107)(H,91,105)(H,98,99)/t35-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,56-/m0/s1 | PDB
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TBA
| Assay Description
Inhibition of human alpha6/alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response mea... |
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/alpha-6/beta-4
(Homo sapiens (Human)) | BDBM50516305
(CHEMBL4454376)Show SMILES CC(C)[C@@H]1NC(=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](CCC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CC(N)=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/C65H99N25O21S4/c1-29(2)49-62(109)80-35(17-46(67)93)54(101)81-36(15-31-19-71-27-74-31)63(110)90-14-6-9-45(90)61(108)79-34(10-11-48(95)96)53(100)78-33(7-4-12-73-65(69)70)52(99)85-40(50(68)97)23-112-114-26-43-59(106)83-38(21-91)55(102)82-37(16-32-20-72-28-75-32)64(111)89-13-5-8-44(89)60(107)76-30(3)51(98)86-42(58(105)84-39(22-92)56(103)88-49)25-115-113-24-41(57(104)87-43)77-47(94)18-66/h19-20,27-30,33-45,49,91-92H,4-18,21-26,66H2,1-3H3,(H2,67,93)(H2,68,97)(H,71,74)(H,72,75)(H,76,107)(H,77,94)(H,78,100)(H,79,108)(H,80,109)(H,81,101)(H,82,102)(H,83,106)(H,84,105)(H,85,99)(H,86,98)(H,87,104)(H,88,103)(H,95,96)(H4,69,70,73)/t30-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,49-/m0/s1 | PDB
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TBA
| Assay Description
Inhibition of human alpha6/alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response mea... |
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/alpha-6/beta-4
(Homo sapiens (Human)) | BDBM50567418
(CHEMBL4845712)Show SMILES [H][C@]1(NC(=O)[C@@H]2CSSC[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](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CSSC[C@H](NC(=O)CN)C(=O)N2)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(C)C)C(N)=O)[C@@H](C)CC |r| | PDB
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TBA
| Assay Description
Inhibition of human alpha6/alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response mea... |
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/alpha-6/beta-4
(Homo sapiens (Human)) | BDBM50516330
(CHEMBL4454425)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(N)=N)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/C66H103N25O19S4/c1-30(2)15-36-54(99)86-42(51(69)96)24-111-113-27-45-60(105)84-40(22-92)56(101)83-39(17-34-21-73-29-76-34)65(110)90-13-7-10-46(90)61(106)77-32(5)52(97)87-44(26-114-112-25-43(58(103)88-45)78-49(95)19-67)59(104)85-41(23-93)57(102)89-50(31(3)4)63(108)81-37(18-48(68)94)55(100)82-38(16-33-20-72-28-75-33)64(109)91-14-8-11-47(91)62(107)79-35(53(98)80-36)9-6-12-74-66(70)71/h20-21,28-32,35-47,50,92-93H,6-19,22-27,67H2,1-5H3,(H2,68,94)(H2,69,96)(H,72,75)(H,73,76)(H,77,106)(H,78,95)(H,79,107)(H,80,98)(H,81,108)(H,82,100)(H,83,101)(H,84,105)(H,85,104)(H,86,99)(H,87,97)(H,88,103)(H,89,102)(H4,70,71,74)/t32-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,50-/m0/s1 | PDB
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TBA
| Assay Description
Inhibition of human alpha6/alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response mea... |
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/alpha-6/beta-4
(Homo sapiens (Human)) | BDBM50567434
(CHEMBL4875539)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(N)=N)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| | PDB
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TBA
| Assay Description
Inhibition of human alpha6/alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response mea... |
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/alpha-6/beta-4
(Homo sapiens (Human)) | BDBM50587093
(CHEMBL5093476)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)C(=O)N1CC(O)C[C@H]1C(=O)N1CCC[C@H]1C(=O)N2)C(C)C |r| | PDB
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TBA
| Assay Description
Antagonist activity at rat alpha6/alpha3beta4 nAChR expressed in xenopus oocytes assessed as inhibition of Ach- induced response at -70 mV holding po... |
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/alpha-6/beta-4
(Homo sapiens (Human)) | BDBM50567428
(CHEMBL4853226)Show SMILES CC(C)C[C@@H]1NC(=O)C(CCCC(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| | PDB
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TBA
| Assay Description
Inhibition of human alpha6/alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response mea... |
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/alpha-6/beta-4
(Homo sapiens (Human)) | BDBM50567412
(CHEMBL4874705)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](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
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TBA
| Assay Description
Inhibition of human alpha6/alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response mea... |
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/alpha-6/beta-4
(Homo sapiens (Human)) | BDBM50567416
(CHEMBL4872209)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](C)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| | PDB
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TBA
| Assay Description
Inhibition of human alpha6/alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response mea... |
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/alpha-6/beta-4
(Homo sapiens (Human)) | BDBM50516318
(CHEMBL4438463)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](CCC(O)=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/C66H99N21O22S4/c1-30(2)16-37-56(99)82-42(52(68)95)24-110-112-27-45-61(104)80-40(22-88)57(100)79-39(18-34-21-70-29-72-34)66(109)86-14-6-8-46(86)62(105)73-32(5)53(96)83-44(26-113-111-25-43(59(102)84-45)74-48(90)19-67)60(103)81-41(23-89)58(101)85-51(31(3)4)64(107)76-36(11-13-50(93)94)55(98)78-38(17-33-20-69-28-71-33)65(108)87-15-7-9-47(87)63(106)75-35(54(97)77-37)10-12-49(91)92/h20-21,28-32,35-47,51,88-89H,6-19,22-27,67H2,1-5H3,(H2,68,95)(H,69,71)(H,70,72)(H,73,105)(H,74,90)(H,75,106)(H,76,107)(H,77,97)(H,78,98)(H,79,100)(H,80,104)(H,81,103)(H,82,99)(H,83,96)(H,84,102)(H,85,101)(H,91,92)(H,93,94)/t32-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,51-/m0/s1 | PDB
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TBA
| Assay Description
Inhibition of human alpha6/alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response mea... |
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/alpha-6/beta-4
(Homo sapiens (Human)) | BDBM50567415
(CHEMBL4848184)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=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| | PDB
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| Article
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| n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human alpha6/alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response mea... |
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/alpha-6/beta-4
(Homo sapiens (Human)) | BDBM50567419
(CHEMBL4875071)Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H]2CSSC[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](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CSSC[C@H](NC(=O)CN)C(=O)N2)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(C)C)C(N)=O |r| | PDB
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| Article
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| n/a | n/a | 86 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human alpha6/alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response mea... |
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/alpha-6/beta-4
(Homo sapiens (Human)) | BDBM50516326
(CHEMBL4521424)Show SMILES CC(C)[C@@H]1NC(=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](CCC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CC(N)=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/C62H92N22O21S4/c1-27(2)47-60(103)74-33(15-44(64)87)52(95)75-34(13-30-17-66-25-68-30)61(104)84-12-6-8-43(84)59(102)73-32(9-10-46(89)90)51(94)70-28(3)49(92)79-38(48(65)91)21-106-108-24-41-57(100)77-36(19-85)53(96)76-35(14-31-18-67-26-69-31)62(105)83-11-5-7-42(83)58(101)71-29(4)50(93)80-40(56(99)78-37(20-86)54(97)82-47)23-109-107-22-39(55(98)81-41)72-45(88)16-63/h17-18,25-29,32-43,47,85-86H,5-16,19-24,63H2,1-4H3,(H2,64,87)(H2,65,91)(H,66,68)(H,67,69)(H,70,94)(H,71,101)(H,72,88)(H,73,102)(H,74,103)(H,75,95)(H,76,96)(H,77,100)(H,78,99)(H,79,92)(H,80,93)(H,81,98)(H,82,97)(H,89,90)/t28-,29-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,47-/m0/s1 | PDB
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TBA
| Assay Description
Inhibition of human alpha6/alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response mea... |
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/alpha-6/beta-4
(Homo sapiens (Human)) | BDBM50567423
(CHEMBL4871824)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](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(=O)N2)C(C)C |r| | PDB
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| n/a | n/a | 97 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human alpha6/alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response mea... |
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/alpha-6/beta-4
(Homo sapiens (Human)) | BDBM50567429
(CHEMBL4850477)Show SMILES CC(C)C[C@@H]1NC(=O)C(CCCCCC(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| | PDB
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TBA
| Assay Description
Inhibition of human alpha6/alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response mea... |
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/alpha-6/beta-4
(Homo sapiens (Human)) | BDBM50516341
(CHEMBL4577266)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(O)=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/C65H97N21O22S4/c1-29(2)14-35-54(97)81-41(51(67)94)23-109-111-26-44-60(103)79-39(21-87)56(99)78-38(16-33-20-69-28-71-33)65(108)85-12-6-8-45(85)61(104)72-31(5)52(95)82-43(25-112-110-24-42(58(101)83-44)73-47(89)18-66)59(102)80-40(22-88)57(100)84-50(30(3)4)63(106)76-36(17-49(92)93)55(98)77-37(15-32-19-68-27-70-32)64(107)86-13-7-9-46(86)62(105)74-34(53(96)75-35)10-11-48(90)91/h19-20,27-31,34-46,50,87-88H,6-18,21-26,66H2,1-5H3,(H2,67,94)(H,68,70)(H,69,71)(H,72,104)(H,73,89)(H,74,105)(H,75,96)(H,76,106)(H,77,98)(H,78,99)(H,79,103)(H,80,102)(H,81,97)(H,82,95)(H,83,101)(H,84,100)(H,90,91)(H,92,93)/t31-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,50-/m0/s1 | PDB
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| n/a | n/a | 124 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human alpha6/alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response mea... |
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/alpha-6/beta-4
(Homo sapiens (Human)) | BDBM50567425
(CHEMBL4859237)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](CCCNC(N)=N)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| | PDB
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| n/a | n/a | 271 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human alpha6/alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response mea... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01973
BindingDB Entry DOI: 10.7270/Q2CN77P3 |
More data for this
Ligand-Target Pair | |
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