Found 16 hits of Enzyme Inhibition Constant Data 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; alpha9/alpha10
(Homo sapiens (Human)) | BDBM50461911
(CHEMBL4229033)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ncc[nH]2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)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](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 |r| Show InChI InChI=1S/C71H103N23O25S4/c1-3-32(2)55-68(117)89-43(56(74)105)28-120-122-31-46-65(114)88-42(27-95)62(111)87-41(25-54(103)104)70(119)94-20-6-8-47(94)66(115)81-35(7-4-16-79-71(75)76)57(106)90-45(30-123-121-29-44(63(112)91-46)80-51(98)26-72)64(113)84-38(22-49(73)97)60(109)83-37(21-33-10-12-34(96)13-11-33)59(108)85-39(24-53(101)102)61(110)86-40(23-50-77-17-18-78-50)69(118)93-19-5-9-48(93)67(116)82-36(58(107)92-55)14-15-52(99)100/h10-13,17-18,32,35-48,55,95-96H,3-9,14-16,19-31,72H2,1-2H3,(H2,73,97)(H2,74,105)(H,77,78)(H,80,98)(H,81,115)(H,82,116)(H,83,109)(H,84,113)(H,85,108)(H,86,110)(H,87,111)(H,88,114)(H,89,117)(H,90,106)(H,91,112)(H,92,107)(H,99,100)(H,101,102)(H,103,104)(H4,75,76,79)/t32-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,55-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 750 | n/a | n/a | n/a | n/a | n/a | n/a |
Ocean University of China
Curated by ChEMBL
| Assay Description
Inhibition of human alpha9/alpha10 nACHR (3:1) expressed in Xenopus laevis oocyte assessed as inhibition of ACh induced channel current measured for ... |
J Med Chem 61: 4628-4634 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00115
BindingDB Entry DOI: 10.7270/Q29889NF |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor; alpha9/alpha10
(Homo sapiens (Human)) | BDBM50461911
(CHEMBL4229033)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ncc[nH]2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)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](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 |r| Show InChI InChI=1S/C71H103N23O25S4/c1-3-32(2)55-68(117)89-43(56(74)105)28-120-122-31-46-65(114)88-42(27-95)62(111)87-41(25-54(103)104)70(119)94-20-6-8-47(94)66(115)81-35(7-4-16-79-71(75)76)57(106)90-45(30-123-121-29-44(63(112)91-46)80-51(98)26-72)64(113)84-38(22-49(73)97)60(109)83-37(21-33-10-12-34(96)13-11-33)59(108)85-39(24-53(101)102)61(110)86-40(23-50-77-17-18-78-50)69(118)93-19-5-9-48(93)67(116)82-36(58(107)92-55)14-15-52(99)100/h10-13,17-18,32,35-48,55,95-96H,3-9,14-16,19-31,72H2,1-2H3,(H2,73,97)(H2,74,105)(H,77,78)(H,80,98)(H,81,115)(H,82,116)(H,83,109)(H,84,113)(H,85,108)(H,86,110)(H,87,111)(H,88,114)(H,89,117)(H,90,106)(H,91,112)(H,92,107)(H,99,100)(H,101,102)(H,103,104)(H4,75,76,79)/t32-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,55-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 750 | n/a | n/a | n/a | n/a | n/a | n/a |
Ocean University of China
Curated by ChEMBL
| Assay Description
Inhibition of human alpha9/alpha10 G154N mutant nACHR (1:3) expressed in Xenopus laevis oocyte assessed as inhibition of ACh induced channel current ... |
J Med Chem 61: 4628-4634 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00115
BindingDB Entry DOI: 10.7270/Q29889NF |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor; alpha9/alpha10
(Homo sapiens (Human)) | BDBM50461911
(CHEMBL4229033)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ncc[nH]2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)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](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 |r| Show InChI InChI=1S/C71H103N23O25S4/c1-3-32(2)55-68(117)89-43(56(74)105)28-120-122-31-46-65(114)88-42(27-95)62(111)87-41(25-54(103)104)70(119)94-20-6-8-47(94)66(115)81-35(7-4-16-79-71(75)76)57(106)90-45(30-123-121-29-44(63(112)91-46)80-51(98)26-72)64(113)84-38(22-49(73)97)60(109)83-37(21-33-10-12-34(96)13-11-33)59(108)85-39(24-53(101)102)61(110)86-40(23-50-77-17-18-78-50)69(118)93-19-5-9-48(93)67(116)82-36(58(107)92-55)14-15-52(99)100/h10-13,17-18,32,35-48,55,95-96H,3-9,14-16,19-31,72H2,1-2H3,(H2,73,97)(H2,74,105)(H,77,78)(H,80,98)(H,81,115)(H,82,116)(H,83,109)(H,84,113)(H,85,108)(H,86,110)(H,87,111)(H,88,114)(H,89,117)(H,90,106)(H,91,112)(H,92,107)(H,99,100)(H,101,102)(H,103,104)(H4,75,76,79)/t32-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,55-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Ocean University of China
Curated by ChEMBL
| Assay Description
Inhibition of human alpha9/alpha10 nACHR (1:1) expressed in Xenopus laevis oocyte assessed as inhibition of ACh induced channel current measured for ... |
J Med Chem 61: 4628-4634 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00115
BindingDB Entry DOI: 10.7270/Q29889NF |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor; alpha9/alpha10
(Homo sapiens (Human)) | BDBM50461911
(CHEMBL4229033)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ncc[nH]2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)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](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 |r| Show InChI InChI=1S/C71H103N23O25S4/c1-3-32(2)55-68(117)89-43(56(74)105)28-120-122-31-46-65(114)88-42(27-95)62(111)87-41(25-54(103)104)70(119)94-20-6-8-47(94)66(115)81-35(7-4-16-79-71(75)76)57(106)90-45(30-123-121-29-44(63(112)91-46)80-51(98)26-72)64(113)84-38(22-49(73)97)60(109)83-37(21-33-10-12-34(96)13-11-33)59(108)85-39(24-53(101)102)61(110)86-40(23-50-77-17-18-78-50)69(118)93-19-5-9-48(93)67(116)82-36(58(107)92-55)14-15-52(99)100/h10-13,17-18,32,35-48,55,95-96H,3-9,14-16,19-31,72H2,1-2H3,(H2,73,97)(H2,74,105)(H,77,78)(H,80,98)(H,81,115)(H,82,116)(H,83,109)(H,84,113)(H,85,108)(H,86,110)(H,87,111)(H,88,114)(H,89,117)(H,90,106)(H,91,112)(H,92,107)(H,99,100)(H,101,102)(H,103,104)(H4,75,76,79)/t32-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,55-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.57E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Ocean University of China
Curated by ChEMBL
| Assay Description
Inhibition of human alpha9/alpha10 nACHR (1:3) expressed in Xenopus laevis oocyte assessed as inhibition of ACh induced channel current measured for ... |
J Med Chem 61: 4628-4634 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00115
BindingDB Entry DOI: 10.7270/Q29889NF |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor; alpha9/alpha10
(Homo sapiens (Human)) | BDBM50461913
(CHEMBL4225280)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ncc[nH]2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)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](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 |r| Show InChI InChI=1S/C70H102N24O24S4/c1-3-31(2)54-67(116)89-42(55(74)104)27-119-121-30-45-64(113)88-41(26-95)61(110)87-40(24-53(102)103)69(118)94-18-5-8-46(94)65(114)81-34(7-4-14-79-70(75)76)56(105)90-44(29-122-120-28-43(62(111)91-45)80-51(99)25-71)63(112)83-36(20-48(72)97)58(107)82-35(19-32-10-12-33(96)13-11-32)57(106)84-38(23-52(100)101)59(108)86-39(22-50-77-15-16-78-50)68(117)93-17-6-9-47(93)66(115)85-37(21-49(73)98)60(109)92-54/h10-13,15-16,31,34-47,54,95-96H,3-9,14,17-30,71H2,1-2H3,(H2,72,97)(H2,73,98)(H2,74,104)(H,77,78)(H,80,99)(H,81,114)(H,82,107)(H,83,112)(H,84,106)(H,85,115)(H,86,108)(H,87,110)(H,88,113)(H,89,116)(H,90,105)(H,91,111)(H,92,109)(H,100,101)(H,102,103)(H4,75,76,79)/t31-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,54-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Ocean University of China
Curated by ChEMBL
| Assay Description
Inhibition of human alpha9 N154G mutant/alpha10 nACHR (3:1) expressed in Xenopus laevis oocyte assessed as inhibition of ACh induced channel current ... |
J Med Chem 61: 4628-4634 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00115
BindingDB Entry DOI: 10.7270/Q29889NF |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor; alpha9/alpha10
(Homo sapiens (Human)) | BDBM50461912
(CHEMBL4228263)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](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ncc[nH]3)NC(=O)[C@H](CC(O)=O)NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 |r| Show InChI InChI=1S/C65H102N24O23S4/c1-29(2)49-62(110)79-33(20-47(94)95)54(102)80-34(19-45-72-14-15-73-45)63(111)88-16-7-11-43(88)61(109)78-32(18-44(68)92)53(101)76-30(8-3-4-12-66)51(99)84-38(50(69)98)25-113-115-28-41-59(107)82-36(23-90)55(103)81-35(21-48(96)97)64(112)89-17-6-10-42(89)60(108)77-31(9-5-13-74-65(70)71)52(100)85-40(58(106)83-37(24-91)56(104)87-49)27-116-114-26-39(57(105)86-41)75-46(93)22-67/h14-15,29-43,49,90-91H,3-13,16-28,66-67H2,1-2H3,(H2,68,92)(H2,69,98)(H,72,73)(H,75,93)(H,76,101)(H,77,108)(H,78,109)(H,79,110)(H,80,102)(H,81,103)(H,82,107)(H,83,106)(H,84,99)(H,85,100)(H,86,105)(H,87,104)(H,94,95)(H,96,97)(H4,70,71,74)/t30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,49-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Ocean University of China
Curated by ChEMBL
| Assay Description
Inhibition of human alpha9/alpha10 nACHR (3:1) expressed in Xenopus laevis oocyte assessed as inhibition of ACh induced channel current measured for ... |
J Med Chem 61: 4628-4634 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00115
BindingDB Entry DOI: 10.7270/Q29889NF |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor; alpha9/alpha10
(Homo sapiens (Human)) | BDBM50461913
(CHEMBL4225280)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ncc[nH]2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)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](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 |r| Show InChI InChI=1S/C70H102N24O24S4/c1-3-31(2)54-67(116)89-42(55(74)104)27-119-121-30-45-64(113)88-41(26-95)61(110)87-40(24-53(102)103)69(118)94-18-5-8-46(94)65(114)81-34(7-4-14-79-70(75)76)56(105)90-44(29-122-120-28-43(62(111)91-45)80-51(99)25-71)63(112)83-36(20-48(72)97)58(107)82-35(19-32-10-12-33(96)13-11-32)57(106)84-38(23-52(100)101)59(108)86-39(22-50-77-15-16-78-50)68(117)93-17-6-9-47(93)66(115)85-37(21-49(73)98)60(109)92-54/h10-13,15-16,31,34-47,54,95-96H,3-9,14,17-30,71H2,1-2H3,(H2,72,97)(H2,73,98)(H2,74,104)(H,77,78)(H,80,99)(H,81,114)(H,82,107)(H,83,112)(H,84,106)(H,85,115)(H,86,108)(H,87,110)(H,88,113)(H,89,116)(H,90,105)(H,91,111)(H,92,109)(H,100,101)(H,102,103)(H4,75,76,79)/t31-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,54-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.02E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Ocean University of China
Curated by ChEMBL
| Assay Description
Inhibition of human alpha9 N154G mutant/alpha10 nACHR (1:3) expressed in Xenopus laevis oocyte assessed as inhibition of ACh induced channel current ... |
J Med Chem 61: 4628-4634 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00115
BindingDB Entry DOI: 10.7270/Q29889NF |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor; alpha9/alpha10
(Homo sapiens (Human)) | BDBM50461913
(CHEMBL4225280)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ncc[nH]2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)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](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 |r| Show InChI InChI=1S/C70H102N24O24S4/c1-3-31(2)54-67(116)89-42(55(74)104)27-119-121-30-45-64(113)88-41(26-95)61(110)87-40(24-53(102)103)69(118)94-18-5-8-46(94)65(114)81-34(7-4-14-79-70(75)76)56(105)90-44(29-122-120-28-43(62(111)91-45)80-51(99)25-71)63(112)83-36(20-48(72)97)58(107)82-35(19-32-10-12-33(96)13-11-32)57(106)84-38(23-52(100)101)59(108)86-39(22-50-77-15-16-78-50)68(117)93-17-6-9-47(93)66(115)85-37(21-49(73)98)60(109)92-54/h10-13,15-16,31,34-47,54,95-96H,3-9,14,17-30,71H2,1-2H3,(H2,72,97)(H2,73,98)(H2,74,104)(H,77,78)(H,80,99)(H,81,114)(H,82,107)(H,83,112)(H,84,106)(H,85,115)(H,86,108)(H,87,110)(H,88,113)(H,89,116)(H,90,105)(H,91,111)(H,92,109)(H,100,101)(H,102,103)(H4,75,76,79)/t31-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,54-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.08E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Ocean University of China
Curated by ChEMBL
| Assay Description
Inhibition of human alpha9/alpha10 nACHR (3:1) expressed in Xenopus laevis oocyte assessed as inhibition of ACh induced channel current measured for ... |
J Med Chem 61: 4628-4634 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00115
BindingDB Entry DOI: 10.7270/Q29889NF |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor; alpha9/alpha10
(Homo sapiens (Human)) | BDBM50461911
(CHEMBL4229033)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ncc[nH]2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)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](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 |r| Show InChI InChI=1S/C71H103N23O25S4/c1-3-32(2)55-68(117)89-43(56(74)105)28-120-122-31-46-65(114)88-42(27-95)62(111)87-41(25-54(103)104)70(119)94-20-6-8-47(94)66(115)81-35(7-4-16-79-71(75)76)57(106)90-45(30-123-121-29-44(63(112)91-46)80-51(98)26-72)64(113)84-38(22-49(73)97)60(109)83-37(21-33-10-12-34(96)13-11-33)59(108)85-39(24-53(101)102)61(110)86-40(23-50-77-17-18-78-50)69(118)93-19-5-9-48(93)67(116)82-36(58(107)92-55)14-15-52(99)100/h10-13,17-18,32,35-48,55,95-96H,3-9,14-16,19-31,72H2,1-2H3,(H2,73,97)(H2,74,105)(H,77,78)(H,80,98)(H,81,115)(H,82,116)(H,83,109)(H,84,113)(H,85,108)(H,86,110)(H,87,111)(H,88,114)(H,89,117)(H,90,106)(H,91,112)(H,92,107)(H,99,100)(H,101,102)(H,103,104)(H4,75,76,79)/t32-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,55-/m0/s1 | PDB
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| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 1.13E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Ocean University of China
Curated by ChEMBL
| Assay Description
Inhibition of human alpha9 N154G mutant/alpha10 nACHR (1:3) expressed in Xenopus laevis oocyte assessed as inhibition of ACh induced channel current ... |
J Med Chem 61: 4628-4634 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00115
BindingDB Entry DOI: 10.7270/Q29889NF |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor; alpha9/alpha10
(Homo sapiens (Human)) | BDBM50461912
(CHEMBL4228263)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](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ncc[nH]3)NC(=O)[C@H](CC(O)=O)NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 |r| Show InChI InChI=1S/C65H102N24O23S4/c1-29(2)49-62(110)79-33(20-47(94)95)54(102)80-34(19-45-72-14-15-73-45)63(111)88-16-7-11-43(88)61(109)78-32(18-44(68)92)53(101)76-30(8-3-4-12-66)51(99)84-38(50(69)98)25-113-115-28-41-59(107)82-36(23-90)55(103)81-35(21-48(96)97)64(112)89-17-6-10-42(89)60(108)77-31(9-5-13-74-65(70)71)52(100)85-40(58(106)83-37(24-91)56(104)87-49)27-116-114-26-39(57(105)86-41)75-46(93)22-67/h14-15,29-43,49,90-91H,3-13,16-28,66-67H2,1-2H3,(H2,68,92)(H2,69,98)(H,72,73)(H,75,93)(H,76,101)(H,77,108)(H,78,109)(H,79,110)(H,80,102)(H,81,103)(H,82,107)(H,83,106)(H,84,99)(H,85,100)(H,86,105)(H,87,104)(H,94,95)(H,96,97)(H4,70,71,74)/t30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,49-/m0/s1 | PDB
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| PC cid
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| Article
PubMed
| n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Ocean University of China
Curated by ChEMBL
| Assay Description
Inhibition of human alpha9 N154G mutant/alpha10 nACHR (1:3) expressed in Xenopus laevis oocyte assessed as inhibition of ACh induced channel current ... |
J Med Chem 61: 4628-4634 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00115
BindingDB Entry DOI: 10.7270/Q29889NF |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor; alpha9/alpha10
(Homo sapiens (Human)) | BDBM50461912
(CHEMBL4228263)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](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ncc[nH]3)NC(=O)[C@H](CC(O)=O)NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 |r| Show InChI InChI=1S/C65H102N24O23S4/c1-29(2)49-62(110)79-33(20-47(94)95)54(102)80-34(19-45-72-14-15-73-45)63(111)88-16-7-11-43(88)61(109)78-32(18-44(68)92)53(101)76-30(8-3-4-12-66)51(99)84-38(50(69)98)25-113-115-28-41-59(107)82-36(23-90)55(103)81-35(21-48(96)97)64(112)89-17-6-10-42(89)60(108)77-31(9-5-13-74-65(70)71)52(100)85-40(58(106)83-37(24-91)56(104)87-49)27-116-114-26-39(57(105)86-41)75-46(93)22-67/h14-15,29-43,49,90-91H,3-13,16-28,66-67H2,1-2H3,(H2,68,92)(H2,69,98)(H,72,73)(H,75,93)(H,76,101)(H,77,108)(H,78,109)(H,79,110)(H,80,102)(H,81,103)(H,82,107)(H,83,106)(H,84,99)(H,85,100)(H,86,105)(H,87,104)(H,94,95)(H,96,97)(H4,70,71,74)/t30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,49-/m0/s1 | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.32E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Ocean University of China
Curated by ChEMBL
| Assay Description
Inhibition of human alpha9/alpha10 nACHR (1:3) expressed in Xenopus laevis oocyte assessed as inhibition of ACh induced channel current measured for ... |
J Med Chem 61: 4628-4634 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00115
BindingDB Entry DOI: 10.7270/Q29889NF |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor; alpha9/alpha10
(Homo sapiens (Human)) | BDBM50461912
(CHEMBL4228263)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](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ncc[nH]3)NC(=O)[C@H](CC(O)=O)NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 |r| Show InChI InChI=1S/C65H102N24O23S4/c1-29(2)49-62(110)79-33(20-47(94)95)54(102)80-34(19-45-72-14-15-73-45)63(111)88-16-7-11-43(88)61(109)78-32(18-44(68)92)53(101)76-30(8-3-4-12-66)51(99)84-38(50(69)98)25-113-115-28-41-59(107)82-36(23-90)55(103)81-35(21-48(96)97)64(112)89-17-6-10-42(89)60(108)77-31(9-5-13-74-65(70)71)52(100)85-40(58(106)83-37(24-91)56(104)87-49)27-116-114-26-39(57(105)86-41)75-46(93)22-67/h14-15,29-43,49,90-91H,3-13,16-28,66-67H2,1-2H3,(H2,68,92)(H2,69,98)(H,72,73)(H,75,93)(H,76,101)(H,77,108)(H,78,109)(H,79,110)(H,80,102)(H,81,103)(H,82,107)(H,83,106)(H,84,99)(H,85,100)(H,86,105)(H,87,104)(H,94,95)(H,96,97)(H4,70,71,74)/t30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,49-/m0/s1 | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.52E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Ocean University of China
Curated by ChEMBL
| Assay Description
Inhibition of human alpha9 N154G mutant/alpha10 nACHR (3:1) expressed in Xenopus laevis oocyte assessed as inhibition of ACh induced channel current ... |
J Med Chem 61: 4628-4634 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00115
BindingDB Entry DOI: 10.7270/Q29889NF |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor; alpha9/alpha10
(Homo sapiens (Human)) | BDBM50461911
(CHEMBL4229033)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ncc[nH]2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)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](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 |r| Show InChI InChI=1S/C71H103N23O25S4/c1-3-32(2)55-68(117)89-43(56(74)105)28-120-122-31-46-65(114)88-42(27-95)62(111)87-41(25-54(103)104)70(119)94-20-6-8-47(94)66(115)81-35(7-4-16-79-71(75)76)57(106)90-45(30-123-121-29-44(63(112)91-46)80-51(98)26-72)64(113)84-38(22-49(73)97)60(109)83-37(21-33-10-12-34(96)13-11-33)59(108)85-39(24-53(101)102)61(110)86-40(23-50-77-17-18-78-50)69(118)93-19-5-9-48(93)67(116)82-36(58(107)92-55)14-15-52(99)100/h10-13,17-18,32,35-48,55,95-96H,3-9,14-16,19-31,72H2,1-2H3,(H2,73,97)(H2,74,105)(H,77,78)(H,80,98)(H,81,115)(H,82,116)(H,83,109)(H,84,113)(H,85,108)(H,86,110)(H,87,111)(H,88,114)(H,89,117)(H,90,106)(H,91,112)(H,92,107)(H,99,100)(H,101,102)(H,103,104)(H4,75,76,79)/t32-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,55-/m0/s1 | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Ocean University of China
Curated by ChEMBL
| Assay Description
Inhibition of human alpha9 N154G mutant/alpha10 nACHR (3:1) expressed in Xenopus laevis oocyte assessed as inhibition of ACh induced channel current ... |
J Med Chem 61: 4628-4634 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00115
BindingDB Entry DOI: 10.7270/Q29889NF |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor; alpha9/alpha10
(Homo sapiens (Human)) | BDBM50461913
(CHEMBL4225280)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ncc[nH]2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)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](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 |r| Show InChI InChI=1S/C70H102N24O24S4/c1-3-31(2)54-67(116)89-42(55(74)104)27-119-121-30-45-64(113)88-41(26-95)61(110)87-40(24-53(102)103)69(118)94-18-5-8-46(94)65(114)81-34(7-4-14-79-70(75)76)56(105)90-44(29-122-120-28-43(62(111)91-45)80-51(99)25-71)63(112)83-36(20-48(72)97)58(107)82-35(19-32-10-12-33(96)13-11-32)57(106)84-38(23-52(100)101)59(108)86-39(22-50-77-15-16-78-50)68(117)93-17-6-9-47(93)66(115)85-37(21-49(73)98)60(109)92-54/h10-13,15-16,31,34-47,54,95-96H,3-9,14,17-30,71H2,1-2H3,(H2,72,97)(H2,73,98)(H2,74,104)(H,77,78)(H,80,99)(H,81,114)(H,82,107)(H,83,112)(H,84,106)(H,85,115)(H,86,108)(H,87,110)(H,88,113)(H,89,116)(H,90,105)(H,91,111)(H,92,109)(H,100,101)(H,102,103)(H4,75,76,79)/t31-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,54-/m0/s1 | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.75E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Ocean University of China
Curated by ChEMBL
| Assay Description
Inhibition of human alpha9/alpha10 nACHR (1:3) expressed in Xenopus laevis oocyte assessed as inhibition of ACh induced channel current measured for ... |
J Med Chem 61: 4628-4634 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00115
BindingDB Entry DOI: 10.7270/Q29889NF |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor; alpha9/alpha10
(Homo sapiens (Human)) | BDBM50461914
(CHEMBL4228783)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](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ncc[nH]3)NC(=O)[C@H](CC(O)=O)NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ncc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2 |r| Show InChI InChI=1S/C64H97N23O21S4/c1-29(2)49-62(106)77-33(21-48(92)93)54(98)78-34(19-45-69-12-13-70-45)63(107)87-17-7-10-43(87)61(105)76-32(18-44(67)90)53(97)75-31(8-4-5-11-65)52(96)82-38(50(68)94)25-109-111-28-41-59(103)80-36(23-88)55(99)79-35(20-46-71-14-15-72-46)64(108)86-16-6-9-42(86)60(104)73-30(3)51(95)83-40(58(102)81-37(24-89)56(100)85-49)27-112-110-26-39(57(101)84-41)74-47(91)22-66/h12-15,29-43,49,88-89H,4-11,16-28,65-66H2,1-3H3,(H2,67,90)(H2,68,94)(H,69,70)(H,71,72)(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)/t30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,49-/m0/s1 | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.22E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Ocean University of China
Curated by ChEMBL
| Assay Description
Inhibition of human alpha9/alpha10 nACHR (1:1) expressed in Xenopus laevis oocyte assessed as inhibition of ACh induced channel current measured for ... |
J Med Chem 61: 4628-4634 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00115
BindingDB Entry DOI: 10.7270/Q29889NF |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor; alpha9/alpha10
(Homo sapiens (Human)) | BDBM50461915
(CHEMBL4226390)Show SMILES NCC(=O)N[C@H]1CSSC[C@@H]2NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(N)=O)NC1=O |r| Show InChI InChI=1S/C53H84N22O16S4/c54-19-38(78)65-34-22-93-95-23-35-47(88)67-27(5-1-13-62-51(56)57)41(82)69-30(17-25-9-11-26(77)12-10-25)44(85)66-28(6-2-14-63-52(58)59)42(83)72-33(40(55)81)21-92-94-24-36(74-46(34)87)48(89)71-32(20-76)45(86)70-31(18-39(79)80)50(91)75-16-4-8-37(75)49(90)68-29(43(84)73-35)7-3-15-64-53(60)61/h9-12,27-37,76-77H,1-8,13-24,54H2,(H2,55,81)(H,65,78)(H,66,85)(H,67,88)(H,68,90)(H,69,82)(H,70,86)(H,71,89)(H,72,83)(H,73,84)(H,74,87)(H,79,80)(H4,56,57,62)(H4,58,59,63)(H4,60,61,64)/t27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-/m0/s1 | PDB
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| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 2.49E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Ocean University of China
Curated by ChEMBL
| Assay Description
Inhibition of human alpha9/alpha10 nACHR (1:1) expressed in Xenopus laevis oocyte assessed as inhibition of ACh induced channel current measured for ... |
J Med Chem 61: 4628-4634 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00115
BindingDB Entry DOI: 10.7270/Q29889NF |
More data for this
Ligand-Target Pair | |
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