Found 20 hits with Last Name = 'shipley' and Initial = 'la' 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 M1/M2/M3/M4/M5
(RAT) | BDBM50471498
(CHEMBL150450)Show SMILES [H][C@@]12CN(C[C@H]1c1nsnc1SCCCCC(F)(F)F)CCC2 Show InChI InChI=1S/C14H20F3N3S2/c15-14(16,17)5-1-2-7-21-13-12(18-22-19-13)11-9-20-6-3-4-10(11)8-20/h10-11H,1-9H2/t10-,11-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity against Muscarinic acetylcholine receptors using [3H]oxotremorine-M as radioligand in rat cortex |
J Med Chem 40: 538-46 (1997)
Article DOI: 10.1021/jm9602470 BindingDB Entry DOI: 10.7270/Q2SQ934F |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(RAT) | BDBM50471487
(CHEMBL436075)Show SMILES [H][C@@]12CN(C[C@H]1c1nsnc1SCCCC(F)(F)F)CCC2 Show InChI InChI=1S/C13H18F3N3S2/c14-13(15,16)4-2-6-20-12-11(17-21-18-12)10-8-19-5-1-3-9(10)7-19/h9-10H,1-8H2/t9-,10-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity against Muscarinic acetylcholine receptors using [3H]oxotremorine-M as radioligand in rat cortex |
J Med Chem 40: 538-46 (1997)
Article DOI: 10.1021/jm9602470 BindingDB Entry DOI: 10.7270/Q2SQ934F |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(RAT) | BDBM50471494
(CHEMBL153723)Show InChI InChI=1S/C13H21N3S2/c1-2-3-7-17-13-12(14-18-15-13)11-9-16-6-4-5-10(11)8-16/h10-11H,2-9H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity against Muscarinic acetylcholine receptors using [3H]oxotremorine-M as radioligand in rat cortex |
J Med Chem 40: 538-46 (1997)
Article DOI: 10.1021/jm9602470 BindingDB Entry DOI: 10.7270/Q2SQ934F |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(RAT) | BDBM50471485
(Vedaclidine)Show SMILES CCCCSc1nsnc1C1CN2CCC1CC2 |(16.46,-2.74,;15.65,-4.05,;14.12,-3.99,;13.3,-5.3,;11.76,-5.24,;10.94,-6.55,;11.52,-7.98,;10.35,-8.98,;9.04,-8.15,;9.4,-6.67,;8.41,-5.49,;6.9,-5.77,;5.93,-4.58,;6.45,-3.12,;7.96,-2.86,;8.95,-4.05,;7.8,-3.47,;7.42,-4.98,)| Show InChI InChI=1S/C13H21N3S2/c1-2-3-8-17-13-12(14-18-15-13)11-9-16-6-4-10(11)5-7-16/h10-11H,2-9H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity against Muscarinic acetylcholine receptors using [3H]oxotremorine-M as radioligand in rat cortex |
J Med Chem 40: 538-46 (1997)
Article DOI: 10.1021/jm9602470 BindingDB Entry DOI: 10.7270/Q2SQ934F |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(RAT) | BDBM50471499
(CHEMBL345774)Show InChI InChI=1S/C13H18F3N3S2/c14-13(15,16)4-2-6-20-12-11(17-21-18-12)10-8-19-5-1-3-9(10)7-19/h9-10H,1-8H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity against Muscarinic acetylcholine receptor using [3H]oxotremorine-M as radioligand in rat cortex |
J Med Chem 40: 538-46 (1997)
Article DOI: 10.1021/jm9602470 BindingDB Entry DOI: 10.7270/Q2SQ934F |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(RAT) | BDBM50471492
(CHEMBL150293)Show SMILES [H][C@]12CN(C[C@@H]1c1nsnc1SCCCC(F)(F)F)CCC2 Show InChI InChI=1S/C13H18F3N3S2/c14-13(15,16)4-2-6-20-12-11(17-21-18-12)10-8-19-5-1-3-9(10)7-19/h9-10H,1-8H2/t9-,10-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity against Muscarinic acetylcholine receptors using [3H]oxotremorine-M as radioligand in rat cortex |
J Med Chem 40: 538-46 (1997)
Article DOI: 10.1021/jm9602470 BindingDB Entry DOI: 10.7270/Q2SQ934F |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(RAT) | BDBM50471495
(CHEMBL153478)Show SMILES [H][C@@]12CN(C[C@H]1c1nsnc1SCCC(F)(F)F)CCC2 Show InChI InChI=1S/C12H16F3N3S2/c13-12(14,15)3-5-19-11-10(16-20-17-11)9-7-18-4-1-2-8(9)6-18/h8-9H,1-7H2/t8-,9-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity against Muscarinic acetylcholine receptors using [3H]oxotremorine-M as radioligand in rat cortex |
J Med Chem 40: 538-46 (1997)
Article DOI: 10.1021/jm9602470 BindingDB Entry DOI: 10.7270/Q2SQ934F |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(RAT) | BDBM50471486
(CHEMBL343731)Show SMILES [H][C@@]12C[N@@](C[C@@]1([H])c1nsnc1SCCCC)CCC2 Show InChI InChI=1S/C13H21N3S2/c1-2-3-7-17-13-12(14-18-15-13)11-9-16-6-4-5-10(11)8-16/h10-11H,2-9H2,1H3/t10-,11-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity against Muscarinic acetylcholine receptors using [3H]oxotremorine-M as radioligand in rat cortex |
J Med Chem 40: 538-46 (1997)
Article DOI: 10.1021/jm9602470 BindingDB Entry DOI: 10.7270/Q2SQ934F |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(RAT) | BDBM50033155
(3-(3-Butylsulfanyl-pyrazin-2-yl)-1-aza-bicyclo[2.2...)Show SMILES CCCCSc1nccnc1C1CN2CCC1CC2 |(4.41,-8.01,;5.75,-8.78,;5.74,-10.32,;7.07,-11.09,;7.07,-12.63,;8.4,-13.4,;9.74,-12.65,;11.07,-13.42,;11.07,-14.96,;9.73,-15.71,;8.41,-14.94,;7.07,-15.71,;7.07,-17.25,;5.74,-18.01,;6.28,-16.47,;5,-16.36,;5.74,-14.93,;4.42,-15.71,;4.42,-17.25,)| Show InChI InChI=1S/C15H23N3S/c1-2-3-10-19-15-14(16-6-7-17-15)13-11-18-8-4-12(13)5-9-18/h6-7,12-13H,2-5,8-11H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity against Muscarinic acetylcholine receptors using [3H]oxotremorine-M as radioligand in rat cortex |
J Med Chem 40: 538-46 (1997)
Article DOI: 10.1021/jm9602470 BindingDB Entry DOI: 10.7270/Q2SQ934F |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(RAT) | BDBM50403547
(ATROPEN | ATROPINE)Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16? | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
DrugBank MCE KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity against Muscarinic acetylcholine receptors using [3H]oxotremorine-M as radioligand in rat cortex |
J Med Chem 40: 538-46 (1997)
Article DOI: 10.1021/jm9602470 BindingDB Entry DOI: 10.7270/Q2SQ934F |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(RAT) | BDBM50471491
(CHEMBL357279)Show InChI InChI=1S/C15H25N3S2/c1-11(2)5-4-8-19-15-14(16-20-17-15)13-10-18-7-3-6-12(13)9-18/h11-13H,3-10H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.910 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity against Muscarinic acetylcholine receptors using [3H]oxotremorine-M as radioligand in rat cortex |
J Med Chem 40: 538-46 (1997)
Article DOI: 10.1021/jm9602470 BindingDB Entry DOI: 10.7270/Q2SQ934F |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(RAT) | BDBM50070725
(CHEMBL318403)Show InChI InChI=1S/C28H43N5O8/c1-4-16(3)23(26(38)30-19(5-2)28(40)41)32-25(37)21-10-8-14-33(21)27(39)20(9-6-7-13-29)31-24(36)18-15-17(34)11-12-22(18)35/h11-12,15-16,19-21,23,34-35H,4-10,13-14,29H2,1-3H3,(H,30,38)(H,31,36)(H,32,37)(H,40,41)/t16?,19?,20-,21-,23-/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 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity against Muscarinic acetylcholine receptors using [3H]oxotremorine-M as radioligand in rat cortex |
J Med Chem 40: 538-46 (1997)
Article DOI: 10.1021/jm9602470 BindingDB Entry DOI: 10.7270/Q2SQ934F |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(RAT) | BDBM50003351
(3-(4-butoxy-1,2,5-thiadiazol-3-yl)-1-methyl-1,2,5,...)Show InChI InChI=1S/C12H19N3OS/c1-3-4-8-16-12-11(13-17-14-12)10-6-5-7-15(2)9-10/h6H,3-5,7-9H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity against Muscarinic acetylcholine receptors using [3H]oxotremorine-M as radioligand in rat cortex |
J Med Chem 40: 538-46 (1997)
Article DOI: 10.1021/jm9602470 BindingDB Entry DOI: 10.7270/Q2SQ934F |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(RAT) | BDBM50471489
(CHEMBL153150)Show InChI InChI=1S/C14H21N3OS/c1-3-4-5-6-10-18-14-13(15-19-16-14)12-8-7-9-17(2)11-12/h3,8H,1,4-7,9-11H2,2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity against Muscarinic acetylcholine receptors using [3H]oxotremorine-M as radioligand in rat cortex |
J Med Chem 40: 538-46 (1997)
Article DOI: 10.1021/jm9602470 BindingDB Entry DOI: 10.7270/Q2SQ934F |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(RAT) | BDBM50471496
(CHEMBL153031)Show InChI InChI=1S/C11H17N3S2/c1-2-3-7-15-11-10(13-16-14-11)9-5-4-6-12-8-9/h5,12H,2-4,6-8H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity against Muscarinic acetylcholine receptors using [3H]oxotremorine-M as radioligand in rat cortex |
J Med Chem 40: 538-46 (1997)
Article DOI: 10.1021/jm9602470 BindingDB Entry DOI: 10.7270/Q2SQ934F |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(RAT) | BDBM50033151
(3-(3-Hexylsulfanyl-pyrazin-2-yl)-1-aza-bicyclo[2.2...)Show SMILES CCCCCCSc1nccnc1C1CN2CCC1CC2 |(4.09,3.27,;5.44,2.49,;5.44,.95,;6.77,.18,;6.77,-1.36,;8.1,-2.13,;8.1,-3.67,;9.43,-4.44,;10.76,-3.69,;12.09,-4.46,;12.09,-6,;10.76,-6.75,;9.43,-5.98,;8.1,-6.75,;8.1,-8.29,;6.77,-9.05,;7.31,-7.51,;6.03,-7.4,;6.77,-5.97,;5.44,-6.75,;5.44,-8.29,)| Show InChI InChI=1S/C17H27N3S/c1-2-3-4-5-12-21-17-16(18-8-9-19-17)15-13-20-10-6-14(15)7-11-20/h8-9,14-15H,2-7,10-13H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity against Muscarinic acetylcholine receptors using [3H]oxotremorine-M as radioligand in rat cortex |
J Med Chem 40: 538-46 (1997)
Article DOI: 10.1021/jm9602470 BindingDB Entry DOI: 10.7270/Q2SQ934F |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(RAT) | BDBM50471497
(CHEMBL150501)Show SMILES [H][C@@]12CN(C[C@@H]1c1nsnc1SCCCC(F)(F)F)CCC2 Show InChI InChI=1S/C13H18F3N3S2/c14-13(15,16)4-2-6-20-12-11(17-21-18-12)10-8-19-5-1-3-9(10)7-19/h9-10H,1-8H2/t9-,10+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 9.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity against Muscarinic acetylcholine receptors using [3H]oxotremorine-M as radioligand in rat cortex |
J Med Chem 40: 538-46 (1997)
Article DOI: 10.1021/jm9602470 BindingDB Entry DOI: 10.7270/Q2SQ934F |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(RAT) | BDBM50471488
(CHEMBL152892)Show InChI InChI=1S/C15H19N3S3/c1-18-8-2-5-12(11-18)14-15(17-21-16-14)20-10-4-7-13-6-3-9-19-13/h3,5-6,9H,2,4,7-8,10-11H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity against Muscarinic acetylcholine receptors using [3H]oxotremorine-M as radioligand in rat cortex |
J Med Chem 40: 538-46 (1997)
Article DOI: 10.1021/jm9602470 BindingDB Entry DOI: 10.7270/Q2SQ934F |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(RAT) | BDBM50471493
(CHEMBL152919)Show InChI InChI=1S/C15H25N3S2/c1-3-5-6-7-11-19-15-14(16-20-17-15)13-9-8-10-18(4-2)12-13/h9H,3-8,10-12H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity against Muscarinic acetylcholine receptors using [3H]oxotremorine-M as radioligand in rat cortex |
J Med Chem 40: 538-46 (1997)
Article DOI: 10.1021/jm9602470 BindingDB Entry DOI: 10.7270/Q2SQ934F |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(RAT) | BDBM50471490
(CHEMBL154923)Show SMILES [H][C@]12CN(C[C@H]1c1nsnc1SCCCC(F)(F)F)CCC2 Show InChI InChI=1S/C13H18F3N3S2/c14-13(15,16)4-2-6-20-12-11(17-21-18-12)10-8-19-5-1-3-9(10)7-19/h9-10H,1-8H2/t9-,10+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity against Muscarinic acetylcholine receptors using [3H]oxotremorine-M as radioligand in rat cortex |
J Med Chem 40: 538-46 (1997)
Article DOI: 10.1021/jm9602470 BindingDB Entry DOI: 10.7270/Q2SQ934F |
More data for this Ligand-Target Pair | |