Found 197 hits with Last Name = 'dowell' and Initial = 'c' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM80642
(CHEMBL191491 | MG 624 | MLS002172460 | SMR00125409...)Show InChI InChI=1S/C22H30NO/c1-4-23(5-2,6-3)18-19-24-22-16-14-21(15-17-22)13-12-20-10-8-7-9-11-20/h7-17H,4-6,18-19H2,1-3H3/q+1/b13-12+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 104 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description
Displacement of [125I]-alpha-bungarotoxin from human alpha7 nAChR expressed in human SH-SY5Y cell membranes after 30 mins by gamma counting analysis |
J Med Chem 61: 10531-10544 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01052
BindingDB Entry DOI: 10.7270/Q2PV6P2W |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50466608
(CHEMBL4285772)Show SMILES [I-].CC[N+](CC)(CC)CCCCCCCCOc1ccc(\C=C\c2ccccc2)cc1 Show InChI InChI=1S/C28H42NO/c1-4-29(5-2,6-3)24-14-9-7-8-10-15-25-30-28-22-20-27(21-23-28)19-18-26-16-12-11-13-17-26/h11-13,16-23H,4-10,14-15,24-25H2,1-3H3/q+1/b19-18+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 164 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description
Displacement of [125I]-alpha-bungarotoxin from human alpha7 nAChR expressed in human SH-SY5Y cell membranes after 30 mins by gamma counting analysis |
J Med Chem 61: 10531-10544 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01052
BindingDB Entry DOI: 10.7270/Q2PV6P2W |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50466614
(CHEMBL4291079)Show SMILES [I-].CC[N+](CC)(CC)CCCCOc1ccc(\C=C\c2ccccc2)cc1 Show InChI InChI=1S/C24H34NO/c1-4-25(5-2,6-3)20-10-11-21-26-24-18-16-23(17-19-24)15-14-22-12-8-7-9-13-22/h7-9,12-19H,4-6,10-11,20-21H2,1-3H3/q+1/b15-14+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 186 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description
Displacement of [125I]-alpha-bungarotoxin from human alpha7 nAChR expressed in human SH-SY5Y cell membranes after 30 mins by gamma counting analysis |
J Med Chem 61: 10531-10544 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01052
BindingDB Entry DOI: 10.7270/Q2PV6P2W |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50466613
(CHEMBL4287656)Show SMILES [I-].CC[N+](CC)(CC)CCOc1ccc(\C=C\c2cc(OC)cc(OC)c2)cc1 Show InChI InChI=1S/C24H34NO3/c1-6-25(7-2,8-3)15-16-28-22-13-11-20(12-14-22)9-10-21-17-23(26-4)19-24(18-21)27-5/h9-14,17-19H,6-8,15-16H2,1-5H3/q+1/b10-9+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 189 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description
Displacement of [125I]-alpha-bungarotoxin from human alpha7 nAChR expressed in human SH-SY5Y cell membranes after 30 mins by gamma counting analysis |
J Med Chem 61: 10531-10544 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01052
BindingDB Entry DOI: 10.7270/Q2PV6P2W |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Rattus norvegicus (Rat)) | BDBM50001695
(CHEMBL3238085)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCC)NC(=O)[C@H](CC)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)CN)C(=O)N1)NC(=O)[C@H](CC)NC2=O)C(O)=O |r| Show InChI InChI=1S/C59H81N15O16S4/c1-4-11-37-50(80)67-39(21-32-15-17-34(76)18-16-32)52(82)73-45(59(89)90)29-94-93-28-44-56(86)70-41(25-75)53(83)69-40(22-33-24-61-30-62-33)58(88)74-19-10-14-46(74)57(87)65-36(6-3)49(79)71-43(27-92-91-26-42(54(84)72-44)63-47(77)23-60)55(85)68-38(20-31-12-8-7-9-13-31)51(81)64-35(5-2)48(78)66-37/h7-9,12-13,15-18,24,30,35-46,75-76H,4-6,10-11,14,19-23,25-29,60H2,1-3H3,(H,61,62)(H,63,77)(H,64,81)(H,65,87)(H,66,78)(H,67,80)(H,68,85)(H,69,83)(H,70,86)(H,71,79)(H,72,84)(H,73,82)(H,89,90)/t35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Torrey Pines Institute for Molecular Studies
Curated by ChEMBL
| Assay Description
Displacement of [3H]epibatadine from rat alpha3beta4 nAChR expressed in HEK293 cells after 2 hrs by betaplate counting analysis |
J Med Chem 57: 3511-21 (2014)
Article DOI: 10.1021/jm500183r
BindingDB Entry DOI: 10.7270/Q2ZC84CQ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50466606
(CHEMBL4280452)Show SMILES [I-].CC[N+](CC)(CC)CCCCOc1ccc(\C=C\c2cc(OC)cc(OC)c2)cc1 Show InChI InChI=1S/C26H38NO3/c1-6-27(7-2,8-3)17-9-10-18-30-24-15-13-22(14-16-24)11-12-23-19-25(28-4)21-26(20-23)29-5/h11-16,19-21H,6-10,17-18H2,1-5H3/q+1/b12-11+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 305 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description
Displacement of [125I]-alpha-bungarotoxin from human alpha7 nAChR expressed in human SH-SY5Y cell membranes after 30 mins by gamma counting analysis |
J Med Chem 61: 10531-10544 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01052
BindingDB Entry DOI: 10.7270/Q2PV6P2W |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50466607
(CHEMBL4293646)Show SMILES [I-].CC[N+](CC)(CC)CCCCCCOc1ccc(\C=C\c2ccccc2)cc1 Show InChI InChI=1S/C26H38NO/c1-4-27(5-2,6-3)22-12-7-8-13-23-28-26-20-18-25(19-21-26)17-16-24-14-10-9-11-15-24/h9-11,14-21H,4-8,12-13,22-23H2,1-3H3/q+1/b17-16+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 465 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description
Displacement of [125I]-alpha-bungarotoxin from human alpha7 nAChR expressed in human SH-SY5Y cell membranes after 30 mins by gamma counting analysis |
J Med Chem 61: 10531-10544 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01052
BindingDB Entry DOI: 10.7270/Q2PV6P2W |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50466603
(CHEMBL4277852)Show SMILES [I-].C(CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)CCOc1ccc(\C=C\c2ccccc2)cc1 Show InChI InChI=1S/C38H38OP/c1(15-31-39-35-29-27-34(28-30-35)26-25-33-17-7-3-8-18-33)2-16-32-40(36-19-9-4-10-20-36,37-21-11-5-12-22-37)38-23-13-6-14-24-38/h3-14,17-30H,1-2,15-16,31-32H2/q+1/b26-25+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 559 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description
Displacement of [125I]-alpha-bungarotoxin from human alpha7 nAChR expressed in human SH-SY5Y cell membranes after 30 mins by gamma counting analysis |
J Med Chem 61: 10531-10544 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01052
BindingDB Entry DOI: 10.7270/Q2PV6P2W |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50466615
(CHEMBL4291927)Show SMILES [I-].C(CCCOc1ccc(\C=C\c2ccccc2)cc1)CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C39H40OP/c1(2-16-32-40-36-30-28-35(29-31-36)27-26-34-18-8-4-9-19-34)3-17-33-41(37-20-10-5-11-21-37,38-22-12-6-13-23-38)39-24-14-7-15-25-39/h4-15,18-31H,1-3,16-17,32-33H2/q+1/b27-26+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 617 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description
Displacement of [125I]-alpha-bungarotoxin from human alpha7 nAChR expressed in human SH-SY5Y cell membranes after 30 mins by gamma counting analysis |
J Med Chem 61: 10531-10544 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01052
BindingDB Entry DOI: 10.7270/Q2PV6P2W |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Rattus norvegicus (Rat)) | BDBM50001698
(CHEMBL3238083)Show SMILES [H][C@@]12CCCN1C(=O)[C@]1([H])CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCC)NC(=O)[C@H](CC)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)CN)C(=O)N1)NC2=O)C(O)=O |r| Show InChI InChI=1S/C60H81N15O16S4/c1-3-10-37-50(80)67-39(22-33-15-17-35(77)18-16-33)52(82)73-45(60(90)91)30-95-94-28-43-56(86)70-41(26-76)53(83)69-40(23-34-25-62-31-63-34)58(88)75-20-9-14-47(75)59(89)74-19-8-13-46(74)57(87)72-44(29-93-92-27-42(54(84)71-43)64-48(78)24-61)55(85)68-38(21-32-11-6-5-7-12-32)51(81)65-36(4-2)49(79)66-37/h5-7,11-12,15-18,25,31,36-47,76-77H,3-4,8-10,13-14,19-24,26-30,61H2,1-2H3,(H,62,63)(H,64,78)(H,65,81)(H,66,79)(H,67,80)(H,68,85)(H,69,83)(H,70,86)(H,71,84)(H,72,87)(H,73,82)(H,90,91)/t36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Torrey Pines Institute for Molecular Studies
Curated by ChEMBL
| Assay Description
Displacement of [3H]epibatadine from rat alpha3beta4 nAChR expressed in HEK293 cells after 2 hrs by betaplate counting analysis |
J Med Chem 57: 3511-21 (2014)
Article DOI: 10.1021/jm500183r
BindingDB Entry DOI: 10.7270/Q2ZC84CQ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Rattus norvegicus (Rat)) | BDBM50001696
(CHEMBL3238023)Show SMILES [H][C@@]12CCCN1C(=O)[C@]1([H])CCCN1C(=O)[C@@]([H])(NC(=O)[C@H](CO)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)CN)C(=O)N1)NC2=O)C(C)C)C(O)=O)[C@H](C)O |r| Show InChI InChI=1S/C54H81N13O17S4/c1-25(2)17-31-44(73)58-32(18-29-11-13-30(70)14-12-29)45(74)63-37(54(83)84)24-88-87-23-36-49(78)60-33(20-68)46(75)65-42(28(6)69)53(82)67-16-8-10-39(67)52(81)66-15-7-9-38(66)50(79)62-35(22-86-85-21-34(48(77)61-36)57-40(71)19-55)47(76)56-27(5)43(72)64-41(26(3)4)51(80)59-31/h11-14,25-28,31-39,41-42,68-70H,7-10,15-24,55H2,1-6H3,(H,56,76)(H,57,71)(H,58,73)(H,59,80)(H,60,78)(H,61,77)(H,62,79)(H,63,74)(H,64,72)(H,65,75)(H,83,84)/t27-,28-,31-,32-,33-,34-,35-,36-,37-,38-,39-,41-,42-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 851 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Torrey Pines Institute for Molecular Studies
Curated by ChEMBL
| Assay Description
Displacement of [3H]epibatadine from rat alpha3beta4 nAChR expressed in HEK293 cells after 2 hrs by betaplate counting analysis |
J Med Chem 57: 3511-21 (2014)
Article DOI: 10.1021/jm500183r
BindingDB Entry DOI: 10.7270/Q2ZC84CQ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50466611
(CHEMBL4281312)Show SMILES [I-].C(CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)CCCOc1ccc(\C=C\c2ccccc2)cc1 Show InChI InChI=1S/C40H42OP/c1(3-17-33-41-37-31-29-36(30-32-37)28-27-35-19-9-5-10-20-35)2-4-18-34-42(38-21-11-6-12-22-38,39-23-13-7-14-24-39)40-25-15-8-16-26-40/h5-16,19-32H,1-4,17-18,33-34H2/q+1/b28-27+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 909 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description
Displacement of [125I]-alpha-bungarotoxin from human alpha7 nAChR expressed in human SH-SY5Y cell membranes after 30 mins by gamma counting analysis |
J Med Chem 61: 10531-10544 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01052
BindingDB Entry DOI: 10.7270/Q2PV6P2W |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Rattus norvegicus (Rat)) | BDBM50001701
(CHEMBL3238086)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCC)NC(=O)[C@H](CO)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCC)NC(=O)[C@H](CC)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)CN)C(=O)N1)NC(=O)[C@H](CC)NC2=O)C(O)=O |r| Show InChI InChI=1S/C59H85N13O16S4/c1-5-9-17-38-58(86)72-23-13-18-46(72)57(85)63-36(8-4)49(77)69-43-29-90-89-28-42(61-47(75)26-60)54(82)70-44(56(84)68-41(27-73)53(81)65-38)30-91-92-31-45(59(87)88)71-52(80)40(25-33-19-21-34(74)22-20-33)66-50(78)37(14-6-2)64-48(76)35(7-3)62-51(79)39(67-55(43)83)24-32-15-11-10-12-16-32/h10-12,15-16,19-22,35-46,73-74H,5-9,13-14,17-18,23-31,60H2,1-4H3,(H,61,75)(H,62,79)(H,63,85)(H,64,76)(H,65,81)(H,66,78)(H,67,83)(H,68,84)(H,69,77)(H,70,82)(H,71,80)(H,87,88)/t35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 980 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Torrey Pines Institute for Molecular Studies
Curated by ChEMBL
| Assay Description
Displacement of [3H]epibatadine from rat alpha3beta4 nAChR expressed in HEK293 cells after 2 hrs by betaplate counting analysis |
J Med Chem 57: 3511-21 (2014)
Article DOI: 10.1021/jm500183r
BindingDB Entry DOI: 10.7270/Q2ZC84CQ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50466616
(CHEMBL4288118)Show SMILES [I-].C(COc1ccc(\C=C\c2ccccc2)cc1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C35H32OP/c1-5-14-30(15-6-1)22-23-31-24-26-32(27-25-31)36-28-13-29-37(33-16-7-2-8-17-33,34-18-9-3-10-19-34)35-20-11-4-12-21-35/h1-12,14-27H,13,28-29H2/q+1/b23-22+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 984 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description
Displacement of [125I]-alpha-bungarotoxin from human alpha7 nAChR expressed in human SH-SY5Y cell membranes after 30 mins by gamma counting analysis |
J Med Chem 61: 10531-10544 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01052
BindingDB Entry DOI: 10.7270/Q2PV6P2W |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Rattus norvegicus (Rat)) | BDBM50001702
(CHEMBL3238084)Show SMILES [H][C@@]12CCCN1C(=O)[C@]1([H])CCCN1C(=O)[C@H](CCCC)NC(=O)[C@H](CO)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCC)NC(=O)[C@H](CC)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)CN)C(=O)N1)NC2=O)C(O)=O |r| Show InChI InChI=1S/C60H85N13O16S4/c1-4-7-16-38-58(86)73-24-12-18-47(73)59(87)72-23-11-17-46(72)57(85)70-44-31-91-90-29-42(62-48(76)27-61)54(82)69-43(56(84)68-41(28-74)53(81)65-38)30-92-93-32-45(60(88)89)71-52(80)40(26-34-19-21-35(75)22-20-34)66-50(78)37(13-5-2)64-49(77)36(6-3)63-51(79)39(67-55(44)83)25-33-14-9-8-10-15-33/h8-10,14-15,19-22,36-47,74-75H,4-7,11-13,16-18,23-32,61H2,1-3H3,(H,62,76)(H,63,79)(H,64,77)(H,65,81)(H,66,78)(H,67,83)(H,68,84)(H,69,82)(H,70,85)(H,71,80)(H,88,89)/t36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.11E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Torrey Pines Institute for Molecular Studies
Curated by ChEMBL
| Assay Description
Displacement of [3H]epibatadine from rat alpha3beta4 nAChR expressed in HEK293 cells after 2 hrs by betaplate counting analysis |
J Med Chem 57: 3511-21 (2014)
Article DOI: 10.1021/jm500183r
BindingDB Entry DOI: 10.7270/Q2ZC84CQ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50466612
(CHEMBL4290427)Show SMILES [I-].C(CCCCOc1ccc(\C=C\c2ccccc2)cc1)CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C41H44OP/c1(2-4-18-34-42-38-32-30-37(31-33-38)29-28-36-20-10-6-11-21-36)3-5-19-35-43(39-22-12-7-13-23-39,40-24-14-8-15-25-40)41-26-16-9-17-27-41/h6-17,20-33H,1-5,18-19,34-35H2/q+1/b29-28+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.29E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description
Displacement of [125I]-alpha-bungarotoxin from human alpha7 nAChR expressed in human SH-SY5Y cell membranes after 30 mins by gamma counting analysis |
J Med Chem 61: 10531-10544 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01052
BindingDB Entry DOI: 10.7270/Q2PV6P2W |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50466609
(CHEMBL4284717)Show SMILES [I-].C(CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)COc1ccc(\C=C\c2ccccc2)cc1 Show InChI InChI=1S/C36H34OP/c1-5-15-31(16-6-1)23-24-32-25-27-33(28-26-32)37-29-13-14-30-38(34-17-7-2-8-18-34,35-19-9-3-10-20-35)36-21-11-4-12-22-36/h1-12,15-28H,13-14,29-30H2/q+1/b24-23+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.64E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description
Displacement of [125I]-alpha-bungarotoxin from human alpha7 nAChR expressed in human SH-SY5Y cell membranes after 30 mins by gamma counting analysis |
J Med Chem 61: 10531-10544 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01052
BindingDB Entry DOI: 10.7270/Q2PV6P2W |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50466605
(CHEMBL4276776)Show SMILES [I-].COc1cc(OC)cc(\C=C\c2ccc(OCCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)c1 Show InChI InChI=1S/C38H38O3P/c1-39-34-28-32(29-35(30-34)40-2)21-20-31-22-24-33(25-23-31)41-26-12-13-27-42(36-14-6-3-7-15-36,37-16-8-4-9-17-37)38-18-10-5-11-19-38/h3-11,14-25,28-30H,12-13,26-27H2,1-2H3/q+1/b21-20+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.83E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description
Displacement of [125I]-alpha-bungarotoxin from human alpha7 nAChR expressed in human SH-SY5Y cell membranes after 30 mins by gamma counting analysis |
J Med Chem 61: 10531-10544 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01052
BindingDB Entry DOI: 10.7270/Q2PV6P2W |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50466604
(CHEMBL4280206)Show SMILES [I-].C(CCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)CCCCOc1ccc(\C=C\c2ccccc2)cc1 Show InChI InChI=1S/C42H46OP/c1(3-5-19-35-43-39-33-31-38(32-34-39)30-29-37-21-11-7-12-22-37)2-4-6-20-36-44(40-23-13-8-14-24-40,41-25-15-9-16-26-41)42-27-17-10-18-28-42/h7-18,21-34H,1-6,19-20,35-36H2/q+1/b30-29+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.93E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description
Displacement of [125I]-alpha-bungarotoxin from human alpha7 nAChR expressed in human SH-SY5Y cell membranes after 30 mins by gamma counting analysis |
J Med Chem 61: 10531-10544 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01052
BindingDB Entry DOI: 10.7270/Q2PV6P2W |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50466610
(CHEMBL4288506)Show SMILES [I-].C(CCOc1ccc(\C=C\c2ccccc2)cc1)CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C37H36OP/c1-6-16-32(17-7-1)24-25-33-26-28-34(29-27-33)38-30-14-5-15-31-39(35-18-8-2-9-19-35,36-20-10-3-11-21-36)37-22-12-4-13-23-37/h1-4,6-13,16-29H,5,14-15,30-31H2/q+1/b25-24+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description
Displacement of [125I]-alpha-bungarotoxin from human alpha7 nAChR expressed in human SH-SY5Y cell membranes after 30 mins by gamma counting analysis |
J Med Chem 61: 10531-10544 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01052
BindingDB Entry DOI: 10.7270/Q2PV6P2W |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50466608
(CHEMBL4285772)Show SMILES [I-].CC[N+](CC)(CC)CCCCCCCCOc1ccc(\C=C\c2ccccc2)cc1 Show InChI InChI=1S/C28H42NO/c1-4-29(5-2,6-3)24-14-9-7-8-10-15-25-30-28-22-20-27(21-23-28)19-18-26-16-12-11-13-17-26/h11-13,16-23H,4-10,14-15,24-25H2,1-3H3/q+1/b19-18+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description
Displacement of (+/-)-[3H]-epibatidine from human alpha4beta2 nAChR expressed in HEK293 cell membranes after 30 mins by beta counting analysis |
J Med Chem 61: 10531-10544 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01052
BindingDB Entry DOI: 10.7270/Q2PV6P2W |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50466604
(CHEMBL4280206)Show SMILES [I-].C(CCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)CCCCOc1ccc(\C=C\c2ccccc2)cc1 Show InChI InChI=1S/C42H46OP/c1(3-5-19-35-43-39-33-31-38(32-34-39)30-29-37-21-11-7-12-22-37)2-4-6-20-36-44(40-23-13-8-14-24-40,41-25-15-9-16-26-41)42-27-17-10-18-28-42/h7-18,21-34H,1-6,19-20,35-36H2/q+1/b30-29+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description
Displacement of (+/-)-[3H]-epibatidine from human alpha4beta2 nAChR expressed in HEK293 cell membranes after 30 mins by beta counting analysis |
J Med Chem 61: 10531-10544 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01052
BindingDB Entry DOI: 10.7270/Q2PV6P2W |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50466607
(CHEMBL4293646)Show SMILES [I-].CC[N+](CC)(CC)CCCCCCOc1ccc(\C=C\c2ccccc2)cc1 Show InChI InChI=1S/C26H38NO/c1-4-27(5-2,6-3)22-12-7-8-13-23-28-26-20-18-25(19-21-26)17-16-24-14-10-9-11-15-24/h9-11,14-21H,4-8,12-13,22-23H2,1-3H3/q+1/b17-16+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description
Displacement of (+/-)-[3H]-epibatidine from human alpha4beta2 nAChR expressed in HEK293 cell membranes after 30 mins by beta counting analysis |
J Med Chem 61: 10531-10544 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01052
BindingDB Entry DOI: 10.7270/Q2PV6P2W |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM80642
(CHEMBL191491 | MG 624 | MLS002172460 | SMR00125409...)Show InChI InChI=1S/C22H30NO/c1-4-23(5-2,6-3)18-19-24-22-16-14-21(15-17-22)13-12-20-10-8-7-9-11-20/h7-17H,4-6,18-19H2,1-3H3/q+1/b13-12+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description
Displacement of (+/-)-[3H]-epibatidine from human alpha4beta2 nAChR expressed in HEK293 cell membranes after 30 mins by beta counting analysis |
J Med Chem 61: 10531-10544 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01052
BindingDB Entry DOI: 10.7270/Q2PV6P2W |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50466609
(CHEMBL4284717)Show SMILES [I-].C(CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)COc1ccc(\C=C\c2ccccc2)cc1 Show InChI InChI=1S/C36H34OP/c1-5-15-31(16-6-1)23-24-32-25-27-33(28-26-32)37-29-13-14-30-38(34-17-7-2-8-18-34,35-19-9-3-10-20-35)36-21-11-4-12-22-36/h1-12,15-28H,13-14,29-30H2/q+1/b24-23+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description
Displacement of (+/-)-[3H]-epibatidine from human alpha4beta2 nAChR expressed in HEK293 cell membranes after 30 mins by beta counting analysis |
J Med Chem 61: 10531-10544 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01052
BindingDB Entry DOI: 10.7270/Q2PV6P2W |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50466614
(CHEMBL4291079)Show SMILES [I-].CC[N+](CC)(CC)CCCCOc1ccc(\C=C\c2ccccc2)cc1 Show InChI InChI=1S/C24H34NO/c1-4-25(5-2,6-3)20-10-11-21-26-24-18-16-23(17-19-24)15-14-22-12-8-7-9-13-22/h7-9,12-19H,4-6,10-11,20-21H2,1-3H3/q+1/b15-14+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description
Displacement of (+/-)-[3H]-epibatidine from human alpha4beta2 nAChR expressed in HEK293 cell membranes after 30 mins by beta counting analysis |
J Med Chem 61: 10531-10544 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01052
BindingDB Entry DOI: 10.7270/Q2PV6P2W |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor; alpha9/alpha10
(Homo sapiens (Human)) | BDBM50606633
(CHEMBL5219936)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H]1NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CSSC1(C)C)C(=O)N[C@H](CC(=O)N[C@@H](CCCNC(N)=N)C(O)=O)Cc1ccc(O)cc1)NC(=O)CN)[C@@H](C)O |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00512
BindingDB Entry DOI: 10.7270/Q20G3Q8V |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor; alpha9/alpha10
(Homo sapiens (Human)) | BDBM50606639
(CHEMBL5219016)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H]1NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CSSC1(C)C)C(=O)N[C@H](CC(=O)N[C@@H](CCCNC(N)=O)C(O)=O)Cc1ccc(O)cc1)NC(=O)CN)[C@@H](C)O |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.260 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00512
BindingDB Entry DOI: 10.7270/Q20G3Q8V |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor; alpha9/alpha10
(Homo sapiens (Human)) | BDBM50606640
(CHEMBL5220467)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H]1NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CSSC1(C)C)C(=O)N[C@H](CC(=O)N[C@@H](CCCN)C(O)=O)Cc1ccc(O)cc1)NC(=O)CN)[C@@H](C)O |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.340 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00512
BindingDB Entry DOI: 10.7270/Q20G3Q8V |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor; alpha9/alpha10
(Homo sapiens (Human)) | BDBM50606641
(CHEMBL5219752)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H]1NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CSSC1(C)C)C(=O)N[C@H](CC(=O)N[C@@H](CCCCN)C(O)=O)Cc1ccc(O)cc1)NC(=O)CN)[C@@H](C)O |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.360 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00512
BindingDB Entry DOI: 10.7270/Q20G3Q8V |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor; alpha9/alpha10
(Homo sapiens (Human)) | BDBM50606645
(CHEMBL5220455)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H]1NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CSSC1(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)NC(=O)CN)[C@@H](C)O |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.390 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00512
BindingDB Entry DOI: 10.7270/Q20G3Q8V |
More data for this
Ligand-Target Pair | |
Nicotinic acetylcholine receptor alpha9/alpha10
(RAT-Rattus norvegicus) | BDBM50606633
(CHEMBL5219936)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H]1NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CSSC1(C)C)C(=O)N[C@H](CC(=O)N[C@@H](CCCNC(N)=N)C(O)=O)Cc1ccc(O)cc1)NC(=O)CN)[C@@H](C)O |r| | PDB
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UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.390 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00512
BindingDB Entry DOI: 10.7270/Q20G3Q8V |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor; alpha9/alpha10
(Homo sapiens (Human)) | BDBM50606638
(CHEMBL5220113)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H]1NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CSSC1(C)C)C(=O)N[C@H](CC(=O)N[C@@H](CCC(O)=O)C(O)=O)Cc1ccc(O)cc1)NC(=O)CN)[C@@H](C)O |r| | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00512
BindingDB Entry DOI: 10.7270/Q20G3Q8V |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor; alpha9/alpha10
(Homo sapiens (Human)) | BDBM50581244
(CHEMBL5086734)Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc3ccc(O)c(I)c3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)CN)C(=O)N2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r| | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human alpha9alpha10 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response by two-e... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00802
BindingDB Entry DOI: 10.7270/Q2542SG3 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor; alpha9/alpha10
(Homo sapiens (Human)) | BDBM50606644
(CHEMBL5219791)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H]1NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CSSC1(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)NC(=O)CN)[C@@H](C)O |r| | PDB
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| Article
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| n/a | n/a | 0.510 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00512
BindingDB Entry DOI: 10.7270/Q20G3Q8V |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor; alpha9/alpha10
(Homo sapiens (Human)) | BDBM50339937
(1,1',1''-(5,5',5''-(benzene-1,3,5-triyl)tris(penta...)Show SMILES C(CCc1cc(CCCCC[n+]2cccc(c2)-c2ccccc2)cc(CCCCC[n+]2cccc(c2)-c2ccccc2)c1)CC[n+]1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C54H60N3/c1-10-25-49(26-11-1)52-31-19-37-55(43-52)34-16-4-7-22-46-40-47(23-8-5-17-35-56-38-20-32-53(44-56)50-27-12-2-13-28-50)42-48(41-46)24-9-6-18-36-57-39-21-33-54(45-57)51-29-14-3-15-30-51/h1-3,10-15,19-21,25-33,37-45H,4-9,16-18,22-24,34-36H2/q+3 | PDB
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UniChem
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| Article
PubMed
| n/a | n/a | 0.560 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kentucky
Curated by ChEMBL
| Assay Description
Antagonist activity at alpha9/alpha10 nAChR expressed in Xenopus oocyte assessed as inhibition of ACh-gated current by voltage clamp electrophysiolog... |
Bioorg Med Chem Lett 21: 2476-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.043
BindingDB Entry DOI: 10.7270/Q2TD9XN9 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor; alpha9/alpha10
(Homo sapiens (Human)) | BDBM50581248
(CHEMBL5090753)Show SMILES C[C@H](O)[C@H]1NC(=O)[C@@H]2NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(O)O)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)c(I)c1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CSCS2)C(=O)N[C@H](CC(=O)N[C@@H](CCCNC(N)=N)C(O)=O)Cc1ccc(O)cc1)NC(=O)CN |r| | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human alpha9alpha10 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response by two-e... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00802
BindingDB Entry DOI: 10.7270/Q2542SG3 |
More data for this
Ligand-Target Pair | |
Nicotinic acetylcholine receptor alpha9/alpha10
(RAT-Rattus norvegicus) | BDBM50606635
(CHEMBL5220820)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]1C\C=C\C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)CN)C(=O)N1)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r,t:25| | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00512
BindingDB Entry DOI: 10.7270/Q20G3Q8V |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor; alpha9/alpha10
(Homo sapiens (Human)) | BDBM50606650
(CHEMBL5219058)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H]1NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CSSC1(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)NC(=O)CN)[C@@H](C)O |r| | PDB
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| PC cid
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UniChem
| Article
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| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00512
BindingDB Entry DOI: 10.7270/Q20G3Q8V |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor; alpha9/alpha10
(Homo sapiens (Human)) | BDBM50606637
(CHEMBL5220002)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc3ccc(O)c(I)c3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@@H](NC(=O)CN)C(=O)N1)NC(=O)[C@H](CCCNC(N)=O)NC2=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)[C@@H](C)O |r| | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00512
BindingDB Entry DOI: 10.7270/Q20G3Q8V |
More data for this
Ligand-Target Pair | |
Nicotinic acetylcholine receptor alpha9/alpha10
(RAT-Rattus norvegicus) | BDBM50606634
(CHEMBL5220229)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]1C\C=C/C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)CN)C(=O)N1)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r,c:25| | PDB
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UniProtKB/SwissProt
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| 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
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00512
BindingDB Entry DOI: 10.7270/Q20G3Q8V |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor; alpha9/alpha10
(Homo sapiens (Human)) | BDBM50544003
(CHEMBL4647678)Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc1ccc(O)c(I)c1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r| Show InChI InChI=1S/C62H92IN19O21S4/c1-28(83)48(81-56(97)42(27-107)80-53(94)39(24-104)71-46(87)23-64)58(99)76-37(22-47(88)89)59(100)82-18-4-7-43(82)57(98)74-34(5-2-16-69-61(66)67)50(91)78-40(25-105)54(95)72-33(6-3-17-70-62(68)103)49(90)75-36(21-30-10-14-44(85)32(63)19-30)52(93)73-35(13-15-45(65)86)51(92)79-41(26-106)55(96)77-38(60(101)102)20-29-8-11-31(84)12-9-29/h8-12,14,19,28,33-43,48,83-85,104-107H,2-7,13,15-18,20-27,64H2,1H3,(H2,65,86)(H,71,87)(H,72,95)(H,73,93)(H,74,98)(H,75,90)(H,76,99)(H,77,96)(H,78,91)(H,79,92)(H,80,94)(H,81,97)(H,88,89)(H,101,102)(H4,66,67,69)(H3,68,70,103)/t28-,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+,48+/m1/s1 | PDB
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UniChem
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Utah
Curated by ChEMBL
| Assay Description
Antagonist activity at human alpha9alpha10 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced response measured after 5 ... |
J Med Chem 63: 8380-8387 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00613
BindingDB Entry DOI: 10.7270/Q2474FDJ |
More data for this
Ligand-Target Pair | |
Nicotinic acetylcholine receptor alpha9/alpha10
(RAT-Rattus norvegicus) | BDBM50606636
(CHEMBL5220778)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)CN)C(=O)N1)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| | PDB
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| PC cid
PC sid
UniChem
| Article
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| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00512
BindingDB Entry DOI: 10.7270/Q20G3Q8V |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor; alpha9/alpha10
(Homo sapiens (Human)) | BDBM50581243
(CHEMBL5089881)Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(O)=O)NC1=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc1ccc(O)c(I)c1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CSSC[C@H](NC(=O)CN)C(=O)N2)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r| | PDB
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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 alpha9alpha10 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response by two-e... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00802
BindingDB Entry DOI: 10.7270/Q2542SG3 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor; alpha9/alpha10
(Homo sapiens (Human)) | BDBM50339933
(1,1',1'',1'''-(5,5',5'',5'''-(benzene-1,2,4,5-tetr...)Show SMILES C(CC#Cc1cc(C#CCCC[n+]2cccc(c2)-c2ccccc2)c(cc1C#CCCC[n+]1cccc(c1)-c1ccccc1)C#CCCC[n+]1cccc(c1)-c1ccccc1)C[n+]1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C70H62N4/c1-9-29-59(30-10-1)67-41-25-49-71(55-67)45-21-5-17-37-63-53-65(39-19-7-23-47-73-51-27-43-69(57-73)61-33-13-3-14-34-61)66(40-20-8-24-48-74-52-28-44-70(58-74)62-35-15-4-16-36-62)54-64(63)38-18-6-22-46-72-50-26-42-68(56-72)60-31-11-2-12-32-60/h1-4,9-16,25-36,41-44,49-58H,5-8,21-24,45-48H2/q+4 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kentucky
Curated by ChEMBL
| Assay Description
Antagonist activity at alpha9/alpha10 nAChR expressed in Xenopus oocyte assessed as inhibition of ACh-gated current by voltage clamp electrophysiolog... |
Bioorg Med Chem Lett 21: 2476-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.043
BindingDB Entry DOI: 10.7270/Q2TD9XN9 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50173461
(4-(1-Benzo[1,3]dioxol-5-ylmethyl-piperidin-4-ylami...)Show SMILES Clc1ccc2oc(=O)cc(NC3CCN(Cc4ccc5OCOc5c4)CC3)c2c1 Show InChI InChI=1S/C22H21ClN2O4/c23-15-2-4-19-17(10-15)18(11-22(26)29-19)24-16-5-7-25(8-6-16)12-14-1-3-20-21(9-14)28-13-27-20/h1-4,9-11,16,24H,5-8,12-13H2 | Reactome pathway
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Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration aganist melanin concentrating hormone receptor 1 expressed in IMR-32 cells using [125I]-MCH |
J Med Chem 48: 5888-91 (2005)
Article DOI: 10.1021/jm050598r
BindingDB Entry DOI: 10.7270/Q2QJ7GTV |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor; alpha9/alpha10
(Homo sapiens (Human)) | BDBM50606643
(CHEMBL5218653)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H]1NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CSSC1(C)C)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=N)C(O)=O)NC(=O)CN)[C@@H](C)O |r| | PDB
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| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00512
BindingDB Entry DOI: 10.7270/Q20G3Q8V |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50001695
(CHEMBL3238085)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCC)NC(=O)[C@H](CC)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)CN)C(=O)N1)NC(=O)[C@H](CC)NC2=O)C(O)=O |r| Show InChI InChI=1S/C59H81N15O16S4/c1-4-11-37-50(80)67-39(21-32-15-17-34(76)18-16-32)52(82)73-45(59(89)90)29-94-93-28-44-56(86)70-41(25-75)53(83)69-40(22-33-24-61-30-62-33)58(88)74-19-10-14-46(74)57(87)65-36(6-3)49(79)71-43(27-92-91-26-42(54(84)72-44)63-47(77)23-60)55(85)68-38(20-31-12-8-7-9-13-31)51(81)64-35(5-2)48(78)66-37/h7-9,12-13,15-18,24,30,35-46,75-76H,4-6,10-11,14,19-23,25-29,60H2,1-3H3,(H,61,62)(H,63,77)(H,64,81)(H,65,87)(H,66,78)(H,67,80)(H,68,85)(H,69,83)(H,70,86)(H,71,79)(H,72,84)(H,73,82)(H,89,90)/t35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-/m0/s1 | PDB
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| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Torrey Pines Institute for Molecular Studies
Curated by ChEMBL
| Assay Description
Inhibition of alpha3beta4 nAChR (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-evoked current by voltag... |
J Med Chem 57: 3511-21 (2014)
Article DOI: 10.1021/jm500183r
BindingDB Entry DOI: 10.7270/Q2ZC84CQ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor; alpha9/alpha10
(Homo sapiens (Human)) | BDBM50581249
(CHEMBL5073182)Show SMILES C[C@H](O)[C@H]1NC(=O)[C@@H]2NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(O)O)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)c(I)c1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CSCS2)C(=O)NCCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O)NC(=O)CN |r| | PDB
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| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human alpha9alpha10 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response by two-e... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00802
BindingDB Entry DOI: 10.7270/Q2542SG3 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50173454
(4-(1-Benzooxazol-5-ylmethyl-piperidin-4-ylamino)-6...)Show SMILES Clc1ccc2oc(=O)cc(NC3CCN(Cc4ccc5ocnc5c4)CC3)c2c1 Show InChI InChI=1S/C22H20ClN3O3/c23-15-2-4-20-17(10-15)18(11-22(27)29-20)25-16-5-7-26(8-6-16)12-14-1-3-21-19(9-14)24-13-28-21/h1-4,9-11,13,16,25H,5-8,12H2 | Reactome pathway
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration aganist melanin concentrating hormone receptor 1 expressed in IMR-32 cells using [125I]-MCH |
J Med Chem 48: 5888-91 (2005)
Article DOI: 10.1021/jm050598r
BindingDB Entry DOI: 10.7270/Q2QJ7GTV |
More data for this
Ligand-Target Pair | |
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