Found 120 hits with Last Name = 'salman' and Initial = 'm' 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 |
|---|
Muscarinic acetylcholine receptor M3
(RAT) | BDBM50218053
((R)-2-cycloheptyl-2-hydroxy-2-phenyl-N-((1S,5R,6s)...)Show SMILES CC(N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(O)(C1CCCCCC1)c1ccccc1)c1ccccc1 |w:11.13,1.0| Show InChI InChI=1S/C28H36N2O2/c1-20(21-12-6-4-7-13-21)30-18-24-25(19-30)26(24)29-27(31)28(32,23-16-10-5-11-17-23)22-14-8-2-3-9-15-22/h4-7,10-13,16-17,20,22,24-26,32H,2-3,8-9,14-15,18-19H2,1H3,(H,29,31)/t20?,24-,25+,26+,28? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ranbaxy Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M3 receptor in rat submandibular gland |
Bioorg Med Chem Lett 17: 5256-60 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(RAT) | BDBM50109647
(2-{1-[2-(2,3-Dihydro-benzofuran-5-yl)-ethyl]-pyrro...)Show SMILES NC(=O)C([C@@H]1CCN(CCc2ccc3OCCc3c2)C1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H30N2O2/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26/h1-12,19,25H,13-18,20H2,(H2,29,31)/t25-/m1/s1 | PDB
Reactome pathway
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CHEMBL
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MCE
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PC sid
UniChem
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| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ranbaxy Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M3 receptor in rat submandibular gland |
Bioorg Med Chem Lett 17: 5256-60 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(RAT) | BDBM50218045
((R)-2-cyclohexyl-2-hydroxy-2-phenyl-N-((1S,5R,6s)-...)Show SMILES CC(N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(O)(C1CCCCC1)c1ccccc1)c1ccccc1 |w:11.13,1.0| Show InChI InChI=1S/C27H34N2O2/c1-19(20-11-5-2-6-12-20)29-17-23-24(18-29)25(23)28-26(30)27(31,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-3,5-8,11-14,19,22-25,31H,4,9-10,15-18H2,1H3,(H,28,30)/t19?,23-,24+,25+,27? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ranbaxy Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M3 receptor in rat submandibular gland |
Bioorg Med Chem Lett 17: 5256-60 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(RAT) | BDBM50218061
((R)-N-((1S,5R,6s)-3-benzyl-3-aza-bicyclo[3.1.0]hex...)Show SMILES OC(C1CCCCCC1)(C(=O)N[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@@H]12)c1ccccc1 |w:1.0| Show InChI InChI=1S/C27H34N2O2/c30-26(27(31,22-15-9-4-10-16-22)21-13-7-1-2-8-14-21)28-25-23-18-29(19-24(23)25)17-20-11-5-3-6-12-20/h3-6,9-12,15-16,21,23-25,31H,1-2,7-8,13-14,17-19H2,(H,28,30)/t23-,24+,25+,27? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ranbaxy Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M3 receptor in rat submandibular gland |
Bioorg Med Chem Lett 17: 5256-60 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(RAT) | BDBM50218043
((R)-2-cyclopentyl-2-hydroxy-N-((1S,5R,6s)-3-phenet...)Show SMILES OC(C1CCCC1)(C(=O)N[C@@H]1[C@H]2CN(CCc3ccccc3)C[C@@H]12)c1ccccc1 |w:1.0| Show InChI InChI=1S/C26H32N2O2/c29-25(26(30,21-13-7-8-14-21)20-11-5-2-6-12-20)27-24-22-17-28(18-23(22)24)16-15-19-9-3-1-4-10-19/h1-6,9-12,21-24,30H,7-8,13-18H2,(H,27,29)/t22-,23+,24+,26? | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ranbaxy Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M3 receptor in rat submandibular gland |
Bioorg Med Chem Lett 17: 5256-60 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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antibodypedia
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| Purchase
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MCE
KEGG
MMDB
PC cid
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PDB
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Patents
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| DrugBank
PDB
Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human DHFR assessed by NADPH oxidation measured by spectrophotometric method |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112986
BindingDB Entry DOI: 10.7270/Q2SF30W1 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Muscarinic acetylcholine receptor M3
(RAT) | BDBM50218057
((R)-N-((1S,5R,6s)-3-(2-(benzo[d][1,3]dioxol-5-yl)e...)Show SMILES O[C@@](C1CCCC1)(C(=O)N[C@@H]1[C@H]2CN(CCc3ccc4OCOc4c3)C[C@@H]12)c1ccccc1 Show InChI InChI=1S/C27H32N2O4/c30-26(27(31,20-8-4-5-9-20)19-6-2-1-3-7-19)28-25-21-15-29(16-22(21)25)13-12-18-10-11-23-24(14-18)33-17-32-23/h1-3,6-7,10-11,14,20-22,25,31H,4-5,8-9,12-13,15-17H2,(H,28,30)/t21-,22+,25+,27-/m0/s1 | PDB
Reactome pathway
KEGG
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ranbaxy Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M3 receptor in rat submandibular gland |
Bioorg Med Chem Lett 17: 5256-60 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(RAT) | BDBM50218051
((R)-2-cyclopentyl-2-hydroxy-N-((1S,5R,6s)-3-(4-met...)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#7]-1-[#6]-[#6@H]-2-[#6@@H](-[#6]-1)-[#6@@H]-2-[#7]-[#6](=O)[C@@]([#8])([#6]-1-[#6]-[#6]-[#6]-[#6]-1)c1ccccc1 Show InChI InChI=1S/C24H34N2O2/c1-17(2)9-8-14-26-15-20-21(16-26)22(20)25-23(27)24(28,19-12-6-7-13-19)18-10-4-3-5-11-18/h3-5,9-11,19-22,28H,6-8,12-16H2,1-2H3,(H,25,27)/t20-,21+,22+,24-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ranbaxy Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M3 receptor in rat submandibular gland |
Bioorg Med Chem Lett 17: 5256-60 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(RAT) | BDBM50218058
((R)-N-((1S,5R,6s)-3-(2-(benzo[d][1,3]dioxol-5-yl)e...)Show SMILES OC(C1CCCC1)(C(=O)N[C@@H]1[C@H]2CN(CCc3ccc4OCOc4c3)C[C@@H]12)c1ccccc1 |w:1.0| Show InChI InChI=1S/C27H32N2O4/c30-26(27(31,20-8-4-5-9-20)19-6-2-1-3-7-19)28-25-21-15-29(16-22(21)25)13-12-18-10-11-23-24(14-18)33-17-32-23/h1-3,6-7,10-11,14,20-22,25,31H,4-5,8-9,12-13,15-17H2,(H,28,30)/t21-,22+,25+,27? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ranbaxy Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M3 receptor in rat submandibular gland |
Bioorg Med Chem Lett 17: 5256-60 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(RAT) | BDBM50218055
((R)-2-cyclopentyl-2-hydroxy-2-phenyl-N-((1S,5R,6s)...)Show SMILES CC(N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(O)(C1CCCC1)c1ccccc1)c1ccccc1 |w:11.13,1.0| Show InChI InChI=1S/C26H32N2O2/c1-18(19-10-4-2-5-11-19)28-16-22-23(17-28)24(22)27-25(29)26(30,21-14-8-9-15-21)20-12-6-3-7-13-20/h2-7,10-13,18,21-24,30H,8-9,14-17H2,1H3,(H,27,29)/t18?,22-,23+,24+,26? | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 25.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ranbaxy Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M3 receptor in rat submandibular gland |
Bioorg Med Chem Lett 17: 5256-60 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(RAT) | BDBM50218059
((R)-N-((1S,5R,6s)-3-(4-chlorophenethyl)-3-aza-bicy...)Show SMILES OC(C1CCCC1)(C(=O)N[C@@H]1[C@H]2CN(CCc3ccc(Cl)cc3)C[C@@H]12)c1ccccc1 |w:1.0| Show InChI InChI=1S/C26H31ClN2O2/c27-21-12-10-18(11-13-21)14-15-29-16-22-23(17-29)24(22)28-25(30)26(31,20-8-4-5-9-20)19-6-2-1-3-7-19/h1-3,6-7,10-13,20,22-24,31H,4-5,8-9,14-17H2,(H,28,30)/t22-,23+,24+,26? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 31.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ranbaxy Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M3 receptor in rat submandibular gland |
Bioorg Med Chem Lett 17: 5256-60 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(RAT) | BDBM50218052
((R)-N-((1S,5R,6s)-3-benzyl-3-aza-bicyclo[3.1.0]hex...)Show SMILES OC(C1CCCCC1)(C(=O)N[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@@H]12)c1ccccc1 |w:1.0| Show InChI InChI=1S/C26H32N2O2/c29-25(26(30,20-12-6-2-7-13-20)21-14-8-3-9-15-21)27-24-22-17-28(18-23(22)24)16-19-10-4-1-5-11-19/h1-2,4-7,10-13,21-24,30H,3,8-9,14-18H2,(H,27,29)/t22-,23+,24+,26? | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 31.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ranbaxy Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M3 receptor in rat submandibular gland |
Bioorg Med Chem Lett 17: 5256-60 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(RAT) | BDBM50218046
((R)-2-cyclopentyl-2-hydroxy-N-((1S,5R,6s)-3-(4-met...)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#7]-1-[#6]-[#6@H]-2-[#6@@H](-[#6]-1)-[#6@@H]-2-[#7]-[#6](=O)C([#8])([#6]-1-[#6]-[#6]-[#6]-[#6]-1)c1ccccc1 |w:15.17| Show InChI InChI=1S/C24H34N2O2/c1-17(2)9-8-14-26-15-20-21(16-26)22(20)25-23(27)24(28,19-12-6-7-13-19)18-10-4-3-5-11-18/h3-5,9-11,19-22,28H,6-8,12-16H2,1-2H3,(H,25,27)/t20-,21+,22+,24? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ranbaxy Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M3 receptor in rat submandibular gland |
Bioorg Med Chem Lett 17: 5256-60 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50218053
((R)-2-cycloheptyl-2-hydroxy-2-phenyl-N-((1S,5R,6s)...)Show SMILES CC(N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(O)(C1CCCCCC1)c1ccccc1)c1ccccc1 |w:11.13,1.0| Show InChI InChI=1S/C28H36N2O2/c1-20(21-12-6-4-7-13-21)30-18-24-25(19-30)26(24)29-27(31)28(32,23-16-10-5-11-17-23)22-14-8-2-3-9-15-22/h4-7,10-13,16-17,20,22,24-26,32H,2-3,8-9,14-15,18-19H2,1H3,(H,29,31)/t20?,24-,25+,26+,28? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ranbaxy Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M2 receptor in rat heart |
Bioorg Med Chem Lett 17: 5256-60 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(RAT) | BDBM50218047
((R)-2-cyclopentyl-2-hydroxy-N-((1S,5R,6s)-3-(napht...)Show SMILES OC(C1CCCC1)(C(=O)N[C@@H]1[C@H]2CN(Cc3ccc4ccccc4c3)C[C@@H]12)c1ccccc1 |w:1.0| Show InChI InChI=1S/C29H32N2O2/c32-28(29(33,24-12-6-7-13-24)23-10-2-1-3-11-23)30-27-25-18-31(19-26(25)27)17-20-14-15-21-8-4-5-9-22(21)16-20/h1-5,8-11,14-16,24-27,33H,6-7,12-13,17-19H2,(H,30,32)/t25-,26+,27+,29? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ranbaxy Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M3 receptor in rat submandibular gland |
Bioorg Med Chem Lett 17: 5256-60 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(RAT) | BDBM50218044
((R)-N-((1S,5R,6s)-3-(3,4-dimethylphenethyl)-3-aza-...)Show SMILES Cc1ccc(CCN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(O)(C2CCCC2)c2ccccc2)cc1C |w:16.18| Show InChI InChI=1S/C28H36N2O2/c1-19-12-13-21(16-20(19)2)14-15-30-17-24-25(18-30)26(24)29-27(31)28(32,23-10-6-7-11-23)22-8-4-3-5-9-22/h3-5,8-9,12-13,16,23-26,32H,6-7,10-11,14-15,17-18H2,1-2H3,(H,29,31)/t24-,25+,26+,28? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 43.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ranbaxy Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M3 receptor in rat submandibular gland |
Bioorg Med Chem Lett 17: 5256-60 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(RAT) | BDBM50218056
(CHEMBL249204 | methyl 4-(2-((1S,5R,6s)-6-((R)-2-cy...)Show SMILES COC(=O)c1ccc(CCN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(O)(C2CCCC2)c2ccccc2)cc1 |w:19.21| Show InChI InChI=1S/C28H34N2O4/c1-34-26(31)20-13-11-19(12-14-20)15-16-30-17-23-24(18-30)25(23)29-27(32)28(33,22-9-5-6-10-22)21-7-3-2-4-8-21/h2-4,7-8,11-14,22-25,33H,5-6,9-10,15-18H2,1H3,(H,29,32)/t23-,24+,25+,28? | PDB
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| 43.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ranbaxy Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M3 receptor in rat submandibular gland |
Bioorg Med Chem Lett 17: 5256-60 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(RAT) | BDBM50218050
((R)-2-cyclopentyl-2-hydroxy-2-phenyl-N-((1S,5R,6s)...)Show SMILES CC(N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(O)(C1CCCC1)c1ccccc1)c1ccc(C)cc1 |w:11.13,1.0| Show InChI InChI=1S/C27H34N2O2/c1-18-12-14-20(15-13-18)19(2)29-16-23-24(17-29)25(23)28-26(30)27(31,22-10-6-7-11-22)21-8-4-3-5-9-21/h3-5,8-9,12-15,19,22-25,31H,6-7,10-11,16-17H2,1-2H3,(H,28,30)/t19?,23-,24+,25+,27? | PDB
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Ranbaxy Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M3 receptor in rat submandibular gland |
Bioorg Med Chem Lett 17: 5256-60 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50109647
(2-{1-[2-(2,3-Dihydro-benzofuran-5-yl)-ethyl]-pyrro...)Show SMILES NC(=O)C([C@@H]1CCN(CCc2ccc3OCCc3c2)C1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H30N2O2/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26/h1-12,19,25H,13-18,20H2,(H2,29,31)/t25-/m1/s1 | PDB
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| 63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ranbaxy Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M2 receptor in rat heart |
Bioorg Med Chem Lett 17: 5256-60 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(RAT) | BDBM50218048
((S)-2-cyclopentyl-2-hydroxy-N-((1S,5R,6s)-3-(4-met...)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#7]-1-[#6]-[#6@H]-2-[#6@@H](-[#6]-1)-[#6@@H]-2-[#7]-[#6](=O)[C@]([#8])([#6]-1-[#6]-[#6]-[#6]-[#6]-1)c1ccccc1 Show InChI InChI=1S/C24H34N2O2/c1-17(2)9-8-14-26-15-20-21(16-26)22(20)25-23(27)24(28,19-12-6-7-13-19)18-10-4-3-5-11-18/h3-5,9-11,19-22,28H,6-8,12-16H2,1-2H3,(H,25,27)/t20-,21+,22+,24-/m1/s1 | PDB
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| 71 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ranbaxy Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M3 receptor in rat submandibular gland |
Bioorg Med Chem Lett 17: 5256-60 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(RAT) | BDBM50218049
((R)-N-((1S,5R,6s)-3-benzyl-3-aza-bicyclo[3.1.0]hex...)Show SMILES OC(C1CCCC1)(C(=O)N[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@@H]12)c1ccccc1 |w:1.0| Show InChI InChI=1S/C25H30N2O2/c28-24(25(29,20-13-7-8-14-20)19-11-5-2-6-12-19)26-23-21-16-27(17-22(21)23)15-18-9-3-1-4-10-18/h1-6,9-12,20-23,29H,7-8,13-17H2,(H,26,28)/t21-,22+,23+,25? | PDB
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| 96 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ranbaxy Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M3 receptor in rat submandibular gland |
Bioorg Med Chem Lett 17: 5256-60 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Leishmania major) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) | KEGG
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| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of Leishmania major DHFR assessed by NADPH oxidation measured by spectrophotometric method |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112986
BindingDB Entry DOI: 10.7270/Q2SF30W1 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50218045
((R)-2-cyclohexyl-2-hydroxy-2-phenyl-N-((1S,5R,6s)-...)Show SMILES CC(N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(O)(C1CCCCC1)c1ccccc1)c1ccccc1 |w:11.13,1.0| Show InChI InChI=1S/C27H34N2O2/c1-19(20-11-5-2-6-12-20)29-17-23-24(18-29)25(23)28-26(30)27(31,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-3,5-8,11-14,19,22-25,31H,4,9-10,15-18H2,1H3,(H,28,30)/t19?,23-,24+,25+,27? | PDB
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| 154 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ranbaxy Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M2 receptor in rat heart |
Bioorg Med Chem Lett 17: 5256-60 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50218058
((R)-N-((1S,5R,6s)-3-(2-(benzo[d][1,3]dioxol-5-yl)e...)Show SMILES OC(C1CCCC1)(C(=O)N[C@@H]1[C@H]2CN(CCc3ccc4OCOc4c3)C[C@@H]12)c1ccccc1 |w:1.0| Show InChI InChI=1S/C27H32N2O4/c30-26(27(31,20-8-4-5-9-20)19-6-2-1-3-7-19)28-25-21-15-29(16-22(21)25)13-12-18-10-11-23-24(14-18)33-17-32-23/h1-3,6-7,10-11,14,20-22,25,31H,4-5,8-9,12-13,15-17H2,(H,28,30)/t21-,22+,25+,27? | PDB
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| 277 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ranbaxy Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M2 receptor in rat heart |
Bioorg Med Chem Lett 17: 5256-60 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50218059
((R)-N-((1S,5R,6s)-3-(4-chlorophenethyl)-3-aza-bicy...)Show SMILES OC(C1CCCC1)(C(=O)N[C@@H]1[C@H]2CN(CCc3ccc(Cl)cc3)C[C@@H]12)c1ccccc1 |w:1.0| Show InChI InChI=1S/C26H31ClN2O2/c27-21-12-10-18(11-13-21)14-15-29-16-22-23(17-29)24(22)28-25(30)26(31,20-8-4-5-9-20)19-6-2-1-3-7-19/h1-3,6-7,10-13,20,22-24,31H,4-5,8-9,14-17H2,(H,28,30)/t22-,23+,24+,26? | PDB
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| 298 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ranbaxy Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M2 receptor in rat heart |
Bioorg Med Chem Lett 17: 5256-60 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50218043
((R)-2-cyclopentyl-2-hydroxy-N-((1S,5R,6s)-3-phenet...)Show SMILES OC(C1CCCC1)(C(=O)N[C@@H]1[C@H]2CN(CCc3ccccc3)C[C@@H]12)c1ccccc1 |w:1.0| Show InChI InChI=1S/C26H32N2O2/c29-25(26(30,21-13-7-8-14-21)20-11-5-2-6-12-20)27-24-22-17-28(18-23(22)24)16-15-19-9-3-1-4-10-19/h1-6,9-12,21-24,30H,7-8,13-18H2,(H,27,29)/t22-,23+,24+,26? | PDB
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| 335 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ranbaxy Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M2 receptor in rat heart |
Bioorg Med Chem Lett 17: 5256-60 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50218061
((R)-N-((1S,5R,6s)-3-benzyl-3-aza-bicyclo[3.1.0]hex...)Show SMILES OC(C1CCCCCC1)(C(=O)N[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@@H]12)c1ccccc1 |w:1.0| Show InChI InChI=1S/C27H34N2O2/c30-26(27(31,22-15-9-4-10-16-22)21-13-7-1-2-8-14-21)28-25-23-18-29(19-24(23)25)17-20-11-5-3-6-12-20/h3-6,9-12,15-16,21,23-25,31H,1-2,7-8,13-14,17-19H2,(H,28,30)/t23-,24+,25+,27? | PDB
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| 349 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ranbaxy Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M2 receptor in rat heart |
Bioorg Med Chem Lett 17: 5256-60 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(RAT) | BDBM50218062
((R)-2-cyclopentyl-2-hydroxy-2-phenyl-N-((1S,5R,6s)...)Show SMILES OC(C1CCCC1)(C(=O)N[C@@H]1[C@H]2CN(Cc3cccs3)C[C@@H]12)c1ccccc1 |w:1.0| Show InChI InChI=1S/C23H28N2O2S/c26-22(23(27,17-9-4-5-10-17)16-7-2-1-3-8-16)24-21-19-14-25(15-20(19)21)13-18-11-6-12-28-18/h1-3,6-8,11-12,17,19-21,27H,4-5,9-10,13-15H2,(H,24,26)/t19-,20+,21+,23? | PDB
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| 524 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ranbaxy Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M3 receptor in rat submandibular gland |
Bioorg Med Chem Lett 17: 5256-60 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50218056
(CHEMBL249204 | methyl 4-(2-((1S,5R,6s)-6-((R)-2-cy...)Show SMILES COC(=O)c1ccc(CCN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(O)(C2CCCC2)c2ccccc2)cc1 |w:19.21| Show InChI InChI=1S/C28H34N2O4/c1-34-26(31)20-13-11-19(12-14-20)15-16-30-17-23-24(18-30)25(23)29-27(32)28(33,22-9-5-6-10-22)21-7-3-2-4-8-21/h2-4,7-8,11-14,22-25,33H,5-6,9-10,15-18H2,1H3,(H,29,32)/t23-,24+,25+,28? | PDB
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| 537 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ranbaxy Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M2 receptor in rat heart |
Bioorg Med Chem Lett 17: 5256-60 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50218051
((R)-2-cyclopentyl-2-hydroxy-N-((1S,5R,6s)-3-(4-met...)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#7]-1-[#6]-[#6@H]-2-[#6@@H](-[#6]-1)-[#6@@H]-2-[#7]-[#6](=O)[C@@]([#8])([#6]-1-[#6]-[#6]-[#6]-[#6]-1)c1ccccc1 Show InChI InChI=1S/C24H34N2O2/c1-17(2)9-8-14-26-15-20-21(16-26)22(20)25-23(27)24(28,19-12-6-7-13-19)18-10-4-3-5-11-18/h3-5,9-11,19-22,28H,6-8,12-16H2,1-2H3,(H,25,27)/t20-,21+,22+,24-/m0/s1 | PDB
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| 564 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ranbaxy Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M2 receptor in rat heart |
Bioorg Med Chem Lett 17: 5256-60 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50218055
((R)-2-cyclopentyl-2-hydroxy-2-phenyl-N-((1S,5R,6s)...)Show SMILES CC(N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(O)(C1CCCC1)c1ccccc1)c1ccccc1 |w:11.13,1.0| Show InChI InChI=1S/C26H32N2O2/c1-18(19-10-4-2-5-11-19)28-16-22-23(17-28)24(22)27-25(29)26(30,21-14-8-9-15-21)20-12-6-3-7-13-20/h2-7,10-13,18,21-24,30H,8-9,14-17H2,1H3,(H,27,29)/t18?,22-,23+,24+,26? | PDB
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| 630 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ranbaxy Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M2 receptor in rat heart |
Bioorg Med Chem Lett 17: 5256-60 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50218057
((R)-N-((1S,5R,6s)-3-(2-(benzo[d][1,3]dioxol-5-yl)e...)Show SMILES O[C@@](C1CCCC1)(C(=O)N[C@@H]1[C@H]2CN(CCc3ccc4OCOc4c3)C[C@@H]12)c1ccccc1 Show InChI InChI=1S/C27H32N2O4/c30-26(27(31,20-8-4-5-9-20)19-6-2-1-3-7-19)28-25-21-15-29(16-22(21)25)13-12-18-10-11-23-24(14-18)33-17-32-23/h1-3,6-7,10-11,14,20-22,25,31H,4-5,8-9,12-13,15-17H2,(H,28,30)/t21-,22+,25+,27-/m0/s1 | PDB
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| 646 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ranbaxy Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M2 receptor in rat heart |
Bioorg Med Chem Lett 17: 5256-60 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(RAT) | BDBM50371225
(CHEMBL1162964)Show SMILES O[C@](C1CCCC1)(C(=O)N[C@@H]1[C@H]2CN(CCCc3ccccc3)C[C@@H]12)c1ccccc1 |r,@:2,13| Show InChI InChI=1S/C27H34N2O2/c30-26(27(31,22-15-7-8-16-22)21-13-5-2-6-14-21)28-25-23-18-29(19-24(23)25)17-9-12-20-10-3-1-4-11-20/h1-6,10-11,13-14,22-25,31H,7-9,12,15-19H2,(H,28,30)/t23-,24+,25+,27-/m1/s1 | PDB
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| 776 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ranbaxy Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M3 receptor in rat submandibular gland |
Bioorg Med Chem Lett 17: 5256-60 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50218047
((R)-2-cyclopentyl-2-hydroxy-N-((1S,5R,6s)-3-(napht...)Show SMILES OC(C1CCCC1)(C(=O)N[C@@H]1[C@H]2CN(Cc3ccc4ccccc4c3)C[C@@H]12)c1ccccc1 |w:1.0| Show InChI InChI=1S/C29H32N2O2/c32-28(29(33,24-12-6-7-13-24)23-10-2-1-3-11-23)30-27-25-18-31(19-26(25)27)17-20-14-15-21-8-4-5-9-22(21)16-20/h1-5,8-11,14-16,24-27,33H,6-7,12-13,17-19H2,(H,30,32)/t25-,26+,27+,29? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 778 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ranbaxy Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M2 receptor in rat heart |
Bioorg Med Chem Lett 17: 5256-60 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50218044
((R)-N-((1S,5R,6s)-3-(3,4-dimethylphenethyl)-3-aza-...)Show SMILES Cc1ccc(CCN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(O)(C2CCCC2)c2ccccc2)cc1C |w:16.18| Show InChI InChI=1S/C28H36N2O2/c1-19-12-13-21(16-20(19)2)14-15-30-17-24-25(18-30)26(24)29-27(31)28(32,23-10-6-7-11-23)22-8-4-3-5-9-22/h3-5,8-9,12-13,16,23-26,32H,6-7,10-11,14-15,17-18H2,1-2H3,(H,29,31)/t24-,25+,26+,28? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 812 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ranbaxy Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M2 receptor in rat heart |
Bioorg Med Chem Lett 17: 5256-60 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50218052
((R)-N-((1S,5R,6s)-3-benzyl-3-aza-bicyclo[3.1.0]hex...)Show SMILES OC(C1CCCCC1)(C(=O)N[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@@H]12)c1ccccc1 |w:1.0| Show InChI InChI=1S/C26H32N2O2/c29-25(26(30,20-12-6-2-7-13-20)21-14-8-3-9-15-21)27-24-22-17-28(18-23(22)24)16-19-10-4-1-5-11-19/h1-2,4-7,10-13,21-24,30H,3,8-9,14-18H2,(H,27,29)/t22-,23+,24+,26? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 943 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ranbaxy Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M2 receptor in rat heart |
Bioorg Med Chem Lett 17: 5256-60 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(RAT) | BDBM50218060
(CHEMBL248616 | N-((1S,5R,6s)-3-benzyl-3-aza-bicycl...)Show SMILES OC(C(=O)N[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@@H]12)c1ccccc1 |w:1.0| Show InChI InChI=1S/C20H22N2O2/c23-19(15-9-5-2-6-10-15)20(24)21-18-16-12-22(13-17(16)18)11-14-7-3-1-4-8-14/h1-10,16-19,23H,11-13H2,(H,21,24)/t16-,17+,18+,19? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ranbaxy Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M3 receptor in rat submandibular gland |
Bioorg Med Chem Lett 17: 5256-60 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50218060
(CHEMBL248616 | N-((1S,5R,6s)-3-benzyl-3-aza-bicycl...)Show SMILES OC(C(=O)N[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@@H]12)c1ccccc1 |w:1.0| Show InChI InChI=1S/C20H22N2O2/c23-19(15-9-5-2-6-10-15)20(24)21-18-16-12-22(13-17(16)18)11-14-7-3-1-4-8-14/h1-10,16-19,23H,11-13H2,(H,21,24)/t16-,17+,18+,19? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ranbaxy Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M2 receptor in rat heart |
Bioorg Med Chem Lett 17: 5256-60 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50218048
((S)-2-cyclopentyl-2-hydroxy-N-((1S,5R,6s)-3-(4-met...)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#7]-1-[#6]-[#6@H]-2-[#6@@H](-[#6]-1)-[#6@@H]-2-[#7]-[#6](=O)[C@]([#8])([#6]-1-[#6]-[#6]-[#6]-[#6]-1)c1ccccc1 Show InChI InChI=1S/C24H34N2O2/c1-17(2)9-8-14-26-15-20-21(16-26)22(20)25-23(27)24(28,19-12-6-7-13-19)18-10-4-3-5-11-18/h3-5,9-11,19-22,28H,6-8,12-16H2,1-2H3,(H,25,27)/t20-,21+,22+,24-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ranbaxy Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M2 receptor in rat heart |
Bioorg Med Chem Lett 17: 5256-60 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50218050
((R)-2-cyclopentyl-2-hydroxy-2-phenyl-N-((1S,5R,6s)...)Show SMILES CC(N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(O)(C1CCCC1)c1ccccc1)c1ccc(C)cc1 |w:11.13,1.0| Show InChI InChI=1S/C27H34N2O2/c1-18-12-14-20(15-13-18)19(2)29-16-23-24(17-29)25(23)28-26(30)27(31,22-10-6-7-11-22)21-8-4-3-5-9-21/h3-5,8-9,12-15,19,22-25,31H,6-7,10-11,16-17H2,1-2H3,(H,28,30)/t19?,23-,24+,25+,27? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.23E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ranbaxy Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M2 receptor in rat heart |
Bioorg Med Chem Lett 17: 5256-60 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50218046
((R)-2-cyclopentyl-2-hydroxy-N-((1S,5R,6s)-3-(4-met...)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#7]-1-[#6]-[#6@H]-2-[#6@@H](-[#6]-1)-[#6@@H]-2-[#7]-[#6](=O)C([#8])([#6]-1-[#6]-[#6]-[#6]-[#6]-1)c1ccccc1 |w:15.17| Show InChI InChI=1S/C24H34N2O2/c1-17(2)9-8-14-26-15-20-21(16-26)22(20)25-23(27)24(28,19-12-6-7-13-19)18-10-4-3-5-11-18/h3-5,9-11,19-22,28H,6-8,12-16H2,1-2H3,(H,25,27)/t20-,21+,22+,24? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ranbaxy Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M2 receptor in rat heart |
Bioorg Med Chem Lett 17: 5256-60 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50218049
((R)-N-((1S,5R,6s)-3-benzyl-3-aza-bicyclo[3.1.0]hex...)Show SMILES OC(C1CCCC1)(C(=O)N[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@@H]12)c1ccccc1 |w:1.0| Show InChI InChI=1S/C25H30N2O2/c28-24(25(29,20-13-7-8-14-20)19-11-5-2-6-12-19)26-23-21-16-27(17-22(21)23)15-18-9-3-1-4-10-18/h1-6,9-12,20-23,29H,7-8,13-17H2,(H,26,28)/t21-,22+,23+,25? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.42E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ranbaxy Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M2 receptor in rat heart |
Bioorg Med Chem Lett 17: 5256-60 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50371225
(CHEMBL1162964)Show SMILES O[C@](C1CCCC1)(C(=O)N[C@@H]1[C@H]2CN(CCCc3ccccc3)C[C@@H]12)c1ccccc1 |r,@:2,13| Show InChI InChI=1S/C27H34N2O2/c30-26(27(31,22-15-7-8-16-22)21-13-5-2-6-14-21)28-25-23-18-29(19-24(23)25)17-9-12-20-10-3-1-4-11-20/h1-6,10-11,13-14,22-25,31H,7-9,12,15-19H2,(H,28,30)/t23-,24+,25+,27-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.63E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ranbaxy Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M2 receptor in rat heart |
Bioorg Med Chem Lett 17: 5256-60 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50218062
((R)-2-cyclopentyl-2-hydroxy-2-phenyl-N-((1S,5R,6s)...)Show SMILES OC(C1CCCC1)(C(=O)N[C@@H]1[C@H]2CN(Cc3cccs3)C[C@@H]12)c1ccccc1 |w:1.0| Show InChI InChI=1S/C23H28N2O2S/c26-22(23(27,17-9-4-5-10-17)16-7-2-1-3-8-16)24-21-19-14-25(15-20(19)21)13-18-11-6-12-28-18/h1-3,6-8,11-12,17,19-21,27H,4-5,9-10,13-15H2,(H,24,26)/t19-,20+,21+,23? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 3.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ranbaxy Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M2 receptor in rat heart |
Bioorg Med Chem Lett 17: 5256-60 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Leishmania major) | BDBM50398388
(CHEMBL2178604)Show SMILES Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)N3CCC(CC3)C(O)=O)cnc2n1 Show InChI InChI=1S/C20H22N8O3/c21-16-15-17(27-20(22)26-16)24-10-14(25-15)9-23-13-3-1-11(2-4-13)18(29)28-7-5-12(6-8-28)19(30)31/h1-4,10,12,23H,5-9H2,(H,30,31)(H4,21,22,24,26,27) | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of Leishmania major DHFR assessed by NADPH oxidation measured by spectrophotometric method |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112986
BindingDB Entry DOI: 10.7270/Q2SF30W1 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50398388
(CHEMBL2178604)Show SMILES Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)N3CCC(CC3)C(O)=O)cnc2n1 Show InChI InChI=1S/C20H22N8O3/c21-16-15-17(27-20(22)26-16)24-10-14(25-15)9-23-13-3-1-11(2-4-13)18(29)28-7-5-12(6-8-28)19(30)31/h1-4,10,12,23H,5-9H2,(H,30,31)(H4,21,22,24,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human DHFR assessed by NADPH oxidation measured by spectrophotometric method |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112986
BindingDB Entry DOI: 10.7270/Q2SF30W1 |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Leishmania major) | BDBM50562452
(CHEMBL4776197)Show SMILES Nc1cc(cc2nc(c(Nc3ccc(cc3)C(=O)N3CCC(CC3)C(O)=O)nc12)-c1ccccc1)C(F)(F)F | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of Leishmania major DHFR assessed by NADPH oxidation measured by spectrophotometric method |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112986
BindingDB Entry DOI: 10.7270/Q2SF30W1 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50562453
(CHEMBL4783402)Show SMILES CCOC(=O)c1nc2ccccc2nc1Nc1ccc(cc1)C(=O)N1CCC(CC1C(=O)OC)C(=O)OC | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human DHFR assessed by NADPH oxidation measured by spectrophotometric method |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112986
BindingDB Entry DOI: 10.7270/Q2SF30W1 |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Leishmania major) | BDBM50562451
(CHEMBL4763597)Show SMILES OC(=O)C1CCN(CC1)C(=O)c1ccc(Nc2cnc3cc(ccc3n2)C(F)(F)F)cc1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of Leishmania major DHFR assessed by NADPH oxidation measured by spectrophotometric method |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112986
BindingDB Entry DOI: 10.7270/Q2SF30W1 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50562452
(CHEMBL4776197)Show SMILES Nc1cc(cc2nc(c(Nc3ccc(cc3)C(=O)N3CCC(CC3)C(O)=O)nc12)-c1ccccc1)C(F)(F)F | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human DHFR assessed by NADPH oxidation measured by spectrophotometric method |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112986
BindingDB Entry DOI: 10.7270/Q2SF30W1 |
More data for this
Ligand-Target Pair | |
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