Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50027031 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 |
|---|
Acetylcholine-binding protein
(Lymnaea stagnalis) | BDBM50253820
((1R,6R,9S,12S,15S,21S,24S,27S,30S,33R,36S,42S,48S,...)Show SMILES CC(C)C[C@@H]1NC(=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)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2 |r| Show InChI InChI=1S/C68H100N18O23S4/c1-31(2)19-36-55(95)76-38(22-50(70)89)57(97)79-41(23-51(71)90)66(106)84-16-6-9-47(84)63(103)77-39(24-53(92)93)58(98)75-37(21-34-12-14-35(88)15-13-34)56(96)83-46(68(108)109)30-113-112-29-45-62(102)80-42(26-87)59(99)78-40(20-32(3)4)65(105)86-18-8-11-49(86)67(107)85-17-7-10-48(85)64(104)82-44(60(100)72-33(5)54(94)74-36)28-111-110-27-43(61(101)81-45)73-52(91)25-69/h12-15,31-33,36-49,87-88H,6-11,16-30,69H2,1-5H3,(H2,70,89)(H2,71,90)(H,72,100)(H,73,91)(H,74,94)(H,75,98)(H,76,95)(H,77,103)(H,78,99)(H,79,97)(H,80,102)(H,81,101)(H,82,104)(H,83,96)(H,92,93)(H,108,109)/t33-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]alpha-bungarotoxin from Lymnaea stagnalis AChBP |
J Med Chem 51: 5575-84 (2008)
Article DOI: 10.1021/jm800278k
BindingDB Entry DOI: 10.7270/Q2MG7PBF |
More data for this
Ligand-Target Pair | |
Acetylcholine-binding protein
(Lymnaea stagnalis) | BDBM50253821
((1R,6R,9S,12S,15S,21S,24S,27S,30S,33R,36S,42S,48S,...)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CSSC[C@H](NC(=O)CN)C(=O)N2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C1=O)C(O)=O |r| Show InChI InChI=1S/C65H94N18O23S4/c1-29(2)18-37-62(102)83-17-7-10-46(83)64(104)82-16-6-9-45(82)61(101)79-41-26-108-107-25-40(71-49(88)23-66)58(98)78-42(59(99)77-39(24-84)56(96)75-37)27-109-110-28-43(65(105)106)80-53(93)34(19-32-11-13-33(85)14-12-32)73-55(95)36(22-50(89)90)74-60(100)44-8-5-15-81(44)63(103)38(21-48(68)87)76-54(94)35(20-47(67)86)72-52(92)31(4)69-51(91)30(3)70-57(41)97/h11-14,29-31,34-46,84-85H,5-10,15-28,66H2,1-4H3,(H2,67,86)(H2,68,87)(H,69,91)(H,70,97)(H,71,88)(H,72,92)(H,73,95)(H,74,100)(H,75,96)(H,76,94)(H,77,99)(H,78,98)(H,79,101)(H,80,93)(H,89,90)(H,105,106)/t30-,31-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 124 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]alpha-bungarotoxin from Lymnaea stagnalis AChBP |
J Med Chem 51: 5575-84 (2008)
Article DOI: 10.1021/jm800278k
BindingDB Entry DOI: 10.7270/Q2MG7PBF |
More data for this
Ligand-Target Pair | |
Acetylcholine-binding protein
(Lymnaea stagnalis) | BDBM50253825
((1R,6R,9S,12S,18S,21S,24S,27S,30R,33S,39S,45S,48S,...)Show SMILES CC(C)C[C@@H]1NC(=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](CC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2 |r| Show InChI InChI=1S/C59H91N17O21S4/c1-26(2)15-29-47(84)66-30(17-42(61)78)48(85)69-33(18-43(62)79)57(94)74-12-6-9-39(74)54(91)67-31(19-45(81)82)49(86)73-38(59(96)97)25-101-100-24-37-53(90)70-34(21-77)50(87)68-32(16-27(3)4)56(93)76-14-8-11-41(76)58(95)75-13-7-10-40(75)55(92)72-36(51(88)63-28(5)46(83)65-29)23-99-98-22-35(52(89)71-37)64-44(80)20-60/h26-41,77H,6-25,60H2,1-5H3,(H2,61,78)(H2,62,79)(H,63,88)(H,64,80)(H,65,83)(H,66,84)(H,67,91)(H,68,87)(H,69,85)(H,70,90)(H,71,89)(H,72,92)(H,73,86)(H,81,82)(H,96,97)/t28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]alpha-bungarotoxin from Lymnaea stagnalis AChBP |
J Med Chem 51: 5575-84 (2008)
Article DOI: 10.1021/jm800278k
BindingDB Entry DOI: 10.7270/Q2MG7PBF |
More data for this
Ligand-Target Pair | |
Acetylcholine-binding protein
(Lymnaea stagnalis) | BDBM50253823
((1R,4S,10S,16S,19S,22R,27R,30S,33S,36S,39S,46R)-46...)Show SMILES CC(C)C[C@@H]1NC(=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](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2 |r| Show InChI InChI=1S/C50H79N15O17S4/c1-22(2)12-25-40(71)57-26(14-36(52)67)41(72)58-27(15-37(53)68)42(73)63-33(50(81)82)21-86-85-20-32-46(77)60-29(17-66)43(74)59-28(13-23(3)4)48(79)65-11-7-9-35(65)49(80)64-10-6-8-34(64)47(78)62-31(44(75)54-24(5)39(70)56-25)19-84-83-18-30(45(76)61-32)55-38(69)16-51/h22-35,66H,6-21,51H2,1-5H3,(H2,52,67)(H2,53,68)(H,54,75)(H,55,69)(H,56,70)(H,57,71)(H,58,72)(H,59,74)(H,60,77)(H,61,76)(H,62,78)(H,63,73)(H,81,82)/t24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]alpha-bungarotoxin from Lymnaea stagnalis AChBP |
J Med Chem 51: 5575-84 (2008)
Article DOI: 10.1021/jm800278k
BindingDB Entry DOI: 10.7270/Q2MG7PBF |
More data for this
Ligand-Target Pair | |
Acetylcholine-binding protein
(Lymnaea stagnalis) | BDBM50253824
((1R,6R,9S,15S,18S,21S,24S,27R,30S,36S,42S,45S,50R)...)Show SMILES CC(C)C[C@@H]1NC(=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]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2 |r| Show InChI InChI=1S/C55H86N16O18S4/c1-25(2)15-28-44(77)62-29(17-40(57)73)45(78)64-31(18-41(58)74)53(86)69-12-6-9-37(69)51(84)68-36(55(88)89)24-93-92-23-35-49(82)65-32(20-72)46(79)63-30(16-26(3)4)52(85)71-14-8-11-39(71)54(87)70-13-7-10-38(70)50(83)67-34(47(80)59-27(5)43(76)61-28)22-91-90-21-33(48(81)66-35)60-42(75)19-56/h25-39,72H,6-24,56H2,1-5H3,(H2,57,73)(H2,58,74)(H,59,80)(H,60,75)(H,61,76)(H,62,77)(H,63,79)(H,64,78)(H,65,82)(H,66,81)(H,67,83)(H,68,84)(H,88,89)/t27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]alpha-bungarotoxin from Lymnaea stagnalis AChBP |
J Med Chem 51: 5575-84 (2008)
Article DOI: 10.1021/jm800278k
BindingDB Entry DOI: 10.7270/Q2MG7PBF |
More data for this
Ligand-Target Pair | |
Acetylcholine-binding protein
(Lymnaea stagnalis) | BDBM50253822
((1R,4S,10S,16S,19S,22R,27R,30S,33S,36S,43R)-43-(2-...)Show SMILES CC(C)C[C@@H]1NC(=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](CC(N)=O)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2 |r| Show InChI InChI=1S/C46H73N13O15S4/c1-21(2)12-24-37(64)52-25(14-34(48)61)38(65)57-31(46(73)74)20-78-77-19-30-42(69)54-27(16-60)39(66)53-26(13-22(3)4)44(71)59-11-7-9-33(59)45(72)58-10-6-8-32(58)43(70)56-29(40(67)49-23(5)36(63)51-24)18-76-75-17-28(41(68)55-30)50-35(62)15-47/h21-33,60H,6-20,47H2,1-5H3,(H2,48,61)(H,49,67)(H,50,62)(H,51,63)(H,52,64)(H,53,66)(H,54,69)(H,55,68)(H,56,70)(H,57,65)(H,73,74)/t23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]alpha-bungarotoxin from Lymnaea stagnalis AChBP |
J Med Chem 51: 5575-84 (2008)
Article DOI: 10.1021/jm800278k
BindingDB Entry DOI: 10.7270/Q2MG7PBF |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50253820
((1R,6R,9S,12S,15S,21S,24S,27S,30S,33R,36S,42S,48S,...)Show SMILES CC(C)C[C@@H]1NC(=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)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2 |r| Show InChI InChI=1S/C68H100N18O23S4/c1-31(2)19-36-55(95)76-38(22-50(70)89)57(97)79-41(23-51(71)90)66(106)84-16-6-9-47(84)63(103)77-39(24-53(92)93)58(98)75-37(21-34-12-14-35(88)15-13-34)56(96)83-46(68(108)109)30-113-112-29-45-62(102)80-42(26-87)59(99)78-40(20-32(3)4)65(105)86-18-8-11-49(86)67(107)85-17-7-10-48(85)64(104)82-44(60(100)72-33(5)54(94)74-36)28-111-110-27-43(61(101)81-45)73-52(91)25-69/h12-15,31-33,36-49,87-88H,6-11,16-30,69H2,1-5H3,(H2,70,89)(H2,71,90)(H,72,100)(H,73,91)(H,74,94)(H,75,98)(H,76,95)(H,77,103)(H,78,99)(H,79,97)(H,80,102)(H,81,101)(H,82,104)(H,83,96)(H,92,93)(H,108,109)/t33-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Activity at rat alpha7 nAChR expressed in Xenopus laevis assessed as inhibition of acetylcholine-induced current at holding potential of -80 mV by tw... |
J Med Chem 51: 5575-84 (2008)
Article DOI: 10.1021/jm800278k
BindingDB Entry DOI: 10.7270/Q2MG7PBF |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50253824
((1R,6R,9S,15S,18S,21S,24S,27R,30S,36S,42S,45S,50R)...)Show SMILES CC(C)C[C@@H]1NC(=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]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2 |r| Show InChI InChI=1S/C55H86N16O18S4/c1-25(2)15-28-44(77)62-29(17-40(57)73)45(78)64-31(18-41(58)74)53(86)69-12-6-9-37(69)51(84)68-36(55(88)89)24-93-92-23-35-49(82)65-32(20-72)46(79)63-30(16-26(3)4)52(85)71-14-8-11-39(71)54(87)70-13-7-10-38(70)50(83)67-34(47(80)59-27(5)43(76)61-28)22-91-90-21-33(48(81)66-35)60-42(75)19-56/h25-39,72H,6-24,56H2,1-5H3,(H2,57,73)(H2,58,74)(H,59,80)(H,60,75)(H,61,76)(H,62,77)(H,63,79)(H,64,78)(H,65,82)(H,66,81)(H,67,83)(H,68,84)(H,88,89)/t27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Activity at rat alpha7 nAChR expressed in Xenopus laevis assessed as inhibition of acetylcholine-induced current at holding potential of -80 mV by tw... |
J Med Chem 51: 5575-84 (2008)
Article DOI: 10.1021/jm800278k
BindingDB Entry DOI: 10.7270/Q2MG7PBF |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50253825
((1R,6R,9S,12S,18S,21S,24S,27S,30R,33S,39S,45S,48S,...)Show SMILES CC(C)C[C@@H]1NC(=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](CC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2 |r| Show InChI InChI=1S/C59H91N17O21S4/c1-26(2)15-29-47(84)66-30(17-42(61)78)48(85)69-33(18-43(62)79)57(94)74-12-6-9-39(74)54(91)67-31(19-45(81)82)49(86)73-38(59(96)97)25-101-100-24-37-53(90)70-34(21-77)50(87)68-32(16-27(3)4)56(93)76-14-8-11-41(76)58(95)75-13-7-10-40(75)55(92)72-36(51(88)63-28(5)46(83)65-29)23-99-98-22-35(52(89)71-37)64-44(80)20-60/h26-41,77H,6-25,60H2,1-5H3,(H2,61,78)(H2,62,79)(H,63,88)(H,64,80)(H,65,83)(H,66,84)(H,67,91)(H,68,87)(H,69,85)(H,70,90)(H,71,89)(H,72,92)(H,73,86)(H,81,82)(H,96,97)/t28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 115 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Activity at rat alpha7 nAChR expressed in Xenopus laevis assessed as inhibition of acetylcholine-induced current at holding potential of -80 mV by tw... |
J Med Chem 51: 5575-84 (2008)
Article DOI: 10.1021/jm800278k
BindingDB Entry DOI: 10.7270/Q2MG7PBF |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50253823
((1R,4S,10S,16S,19S,22R,27R,30S,33S,36S,39S,46R)-46...)Show SMILES CC(C)C[C@@H]1NC(=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](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2 |r| Show InChI InChI=1S/C50H79N15O17S4/c1-22(2)12-25-40(71)57-26(14-36(52)67)41(72)58-27(15-37(53)68)42(73)63-33(50(81)82)21-86-85-20-32-46(77)60-29(17-66)43(74)59-28(13-23(3)4)48(79)65-11-7-9-35(65)49(80)64-10-6-8-34(64)47(78)62-31(44(75)54-24(5)39(70)56-25)19-84-83-18-30(45(76)61-32)55-38(69)16-51/h22-35,66H,6-21,51H2,1-5H3,(H2,52,67)(H2,53,68)(H,54,75)(H,55,69)(H,56,70)(H,57,71)(H,58,72)(H,59,74)(H,60,77)(H,61,76)(H,62,78)(H,63,73)(H,81,82)/t24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 207 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Activity at rat alpha7 nAChR expressed in Xenopus laevis assessed as inhibition of acetylcholine-induced current at holding potential of -80 mV by tw... |
J Med Chem 51: 5575-84 (2008)
Article DOI: 10.1021/jm800278k
BindingDB Entry DOI: 10.7270/Q2MG7PBF |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50253821
((1R,6R,9S,12S,15S,21S,24S,27S,30S,33R,36S,42S,48S,...)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CSSC[C@H](NC(=O)CN)C(=O)N2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C1=O)C(O)=O |r| Show InChI InChI=1S/C65H94N18O23S4/c1-29(2)18-37-62(102)83-17-7-10-46(83)64(104)82-16-6-9-45(82)61(101)79-41-26-108-107-25-40(71-49(88)23-66)58(98)78-42(59(99)77-39(24-84)56(96)75-37)27-109-110-28-43(65(105)106)80-53(93)34(19-32-11-13-33(85)14-12-32)73-55(95)36(22-50(89)90)74-60(100)44-8-5-15-81(44)63(103)38(21-48(68)87)76-54(94)35(20-47(67)86)72-52(92)31(4)69-51(91)30(3)70-57(41)97/h11-14,29-31,34-46,84-85H,5-10,15-28,66H2,1-4H3,(H2,67,86)(H2,68,87)(H,69,91)(H,70,97)(H,71,88)(H,72,92)(H,73,95)(H,74,100)(H,75,96)(H,76,94)(H,77,99)(H,78,98)(H,79,101)(H,80,93)(H,89,90)(H,105,106)/t30-,31-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 252 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Activity at rat alpha7 nAChR expressed in Xenopus laevis assessed as inhibition of acetylcholine-induced current at holding potential of -80 mV by tw... |
J Med Chem 51: 5575-84 (2008)
Article DOI: 10.1021/jm800278k
BindingDB Entry DOI: 10.7270/Q2MG7PBF |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50253822
((1R,4S,10S,16S,19S,22R,27R,30S,33S,36S,43R)-43-(2-...)Show SMILES CC(C)C[C@@H]1NC(=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](CC(N)=O)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2 |r| Show InChI InChI=1S/C46H73N13O15S4/c1-21(2)12-24-37(64)52-25(14-34(48)61)38(65)57-31(46(73)74)20-78-77-19-30-42(69)54-27(16-60)39(66)53-26(13-22(3)4)44(71)59-11-7-9-33(59)45(72)58-10-6-8-32(58)43(70)56-29(40(67)49-23(5)36(63)51-24)18-76-75-17-28(41(68)55-30)50-35(62)15-47/h21-33,60H,6-20,47H2,1-5H3,(H2,48,61)(H,49,67)(H,50,62)(H,51,63)(H,52,64)(H,53,66)(H,54,69)(H,55,68)(H,56,70)(H,57,65)(H,73,74)/t23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
University of Queensland
Curated by ChEMBL
| Assay Description
Activity at rat alpha7 nAChR expressed in Xenopus laevis assessed as inhibition of acetylcholine-induced current at holding potential of -80 mV by tw... |
J Med Chem 51: 5575-84 (2008)
Article DOI: 10.1021/jm800278k
BindingDB Entry DOI: 10.7270/Q2MG7PBF |
More data for this
Ligand-Target Pair | |
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