Found 215 hits with Last Name = 'fujikawa' and Initial = 't' 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
(Homo sapiens (Human)) | BDBM50194658
((2R)-N-(1-cyclopropylmethyl-4-piperidinylmethyl)-1...)Show SMILES O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1CCC[C@@H]1C(=O)NCC1CCN(CC2CC2)CC1 Show InChI InChI=1S/C41H47F3N4O4/c42-32-11-5-29(6-12-32)41(30-7-13-33(43)14-8-30,31-9-15-34(44)16-10-31)23-38(50)48-26-35(49)22-37(48)40(52)47-19-1-2-36(47)39(51)45-24-27-17-20-46(21-18-27)25-28-3-4-28/h5-16,27-28,35-37,49H,1-4,17-26H2,(H,45,51)/t35-,36-,37+/m1/s1 | PDB
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| Article
PubMed
| 0.170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tsukuba Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of [3H]NMS binding to human cloned M3 receptor expressed in CHO cells |
J Med Chem 49: 5653-63 (2006)
Article DOI: 10.1021/jm051205r
BindingDB Entry DOI: 10.7270/Q2F76C6K |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50194659
((2R)-N-(1-cyclopentylmethyl-4-piperidinylmethyl)-1...)Show SMILES O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1CCC[C@@H]1C(=O)NCC1CCN(CC2CCCC2)CC1 Show InChI InChI=1S/C43H51F3N4O4/c44-34-13-7-31(8-14-34)43(32-9-15-35(45)16-10-32,33-11-17-36(46)18-12-33)25-40(52)50-28-37(51)24-39(50)42(54)49-21-3-6-38(49)41(53)47-26-29-19-22-48(23-20-29)27-30-4-1-2-5-30/h7-18,29-30,37-39,51H,1-6,19-28H2,(H,47,53)/t37-,38-,39+/m1/s1 | PDB
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| 0.190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tsukuba Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of [3H]NMS binding to human cloned M3 receptor expressed in CHO cells |
J Med Chem 49: 5653-63 (2006)
Article DOI: 10.1021/jm051205r
BindingDB Entry DOI: 10.7270/Q2F76C6K |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM86231
(ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...)Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |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 | UniProtKB/SwissProt
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| 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Pharmaceutical Co., Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 297: 790-7 (2001)
BindingDB Entry DOI: 10.7270/Q24T6GX9 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50194640
((2R)-1-((2S,4R)-4-hydroxy-1-[3,3,3-tris(4-fluoroph...)Show SMILES O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1CCC[C@@H]1C(=O)NCC1CCNCC1 Show InChI InChI=1S/C37H41F3N4O4/c38-28-9-3-25(4-10-28)37(26-5-11-29(39)12-6-26,27-7-13-30(40)14-8-27)21-34(46)44-23-31(45)20-33(44)36(48)43-19-1-2-32(43)35(47)42-22-24-15-17-41-18-16-24/h3-14,24,31-33,41,45H,1-2,15-23H2,(H,42,47)/t31-,32-,33+/m1/s1 | PDB
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| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tsukuba Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of [3H]NMS binding to human cloned M3 receptor expressed in CHO cells |
J Med Chem 49: 5653-63 (2006)
Article DOI: 10.1021/jm051205r
BindingDB Entry DOI: 10.7270/Q2F76C6K |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM86231
(ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...)Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |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 | PDB
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| 0.340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Pharmaceutical Co., Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 297: 790-7 (2001)
BindingDB Entry DOI: 10.7270/Q24T6GX9 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50194641
((2R)-1-((2S,4R)-4-hydroxy-1-[3,3,3-tris(4-fluoroph...)Show SMILES O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCNC1 Show InChI InChI=1S/C37H41F3N4O4/c38-28-11-5-25(6-12-28)37(26-7-13-29(39)14-8-26,27-9-15-30(40)16-10-27)20-34(46)44-23-31(45)19-33(44)36(48)43-18-2-4-32(43)35(47)42-22-24-3-1-17-41-21-24/h5-16,24,31-33,41,45H,1-4,17-23H2,(H,42,47)/t24-,31-,32-,33+/m1/s1 | PDB
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| 0.390 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tsukuba Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of [3H]NMS binding to human cloned M3 receptor expressed in CHO cells |
J Med Chem 49: 5653-63 (2006)
Article DOI: 10.1021/jm051205r
BindingDB Entry DOI: 10.7270/Q2F76C6K |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50194654
((2R)-1-((2S,4R)-4-hydroxy-1-[3,3,3-tris(4-chloroph...)Show SMILES O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(=O)N1CCC[C@@H]1C(=O)NCC1CCNCC1 Show InChI InChI=1S/C37H41Cl3N4O4/c38-28-9-3-25(4-10-28)37(26-5-11-29(39)12-6-26,27-7-13-30(40)14-8-27)21-34(46)44-23-31(45)20-33(44)36(48)43-19-1-2-32(43)35(47)42-22-24-15-17-41-18-16-24/h3-14,24,31-33,41,45H,1-2,15-23H2,(H,42,47)/t31-,32-,33+/m1/s1 | PDB
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| 0.390 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tsukuba Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of [3H]NMS binding to human cloned M3 receptor expressed in CHO cells |
J Med Chem 49: 5653-63 (2006)
Article DOI: 10.1021/jm051205r
BindingDB Entry DOI: 10.7270/Q2F76C6K |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50194645
((2R)-1-((2S,4R)-4-hydroxy-1-[3,3,3-tris(4-fluoroph...)Show SMILES O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1CCC[C@@H]1C(=O)NCCC1CCNCC1 Show InChI InChI=1S/C38H43F3N4O4/c39-29-9-3-26(4-10-29)38(27-5-11-30(40)12-6-27,28-7-13-31(41)14-8-28)23-35(47)45-24-32(46)22-34(45)37(49)44-21-1-2-33(44)36(48)43-20-17-25-15-18-42-19-16-25/h3-14,25,32-34,42,46H,1-2,15-24H2,(H,43,48)/t32-,33-,34+/m1/s1 | PDB
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| 0.480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tsukuba Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of [3H]NMS binding to human cloned M3 receptor expressed in CHO cells |
J Med Chem 49: 5653-63 (2006)
Article DOI: 10.1021/jm051205r
BindingDB Entry DOI: 10.7270/Q2F76C6K |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM82372
(CAS_22254-24-6 | Ipratropium | NSC_3746)Show SMILES CC(C)[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |TLB:1:3:6.7:9.10.11,THB:4:3:6.7:9.10.11,12:10:3:6.7,(-1.51,-1.3,;-.6,-.05,;-1.22,1.36,;.93,-.22,;1.51,1.21,;1.98,-1.04,;1.38,-2.36,;.22,-3.07,;1.19,-1.74,;3.01,-1.74,;3.97,-2.54,;3.71,-1.01,;4.74,-3.87,;3.97,-5.2,;2.43,-5.2,;4.74,-6.54,;6.28,-6.54,;7.05,-7.87,;3.97,-7.87,;4.73,-9.21,;3.96,-10.54,;2.42,-10.54,;1.65,-9.2,;2.43,-7.87,)| Show InChI InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1 | UniProtKB/SwissProt
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| 0.490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Pharmaceutical Co., Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 297: 790-7 (2001)
BindingDB Entry DOI: 10.7270/Q24T6GX9 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM86231
(ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...)Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |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 | PDB
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| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Pharmaceutical Co., Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 297: 790-7 (2001)
BindingDB Entry DOI: 10.7270/Q24T6GX9 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM82372
(CAS_22254-24-6 | Ipratropium | NSC_3746)Show SMILES CC(C)[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |TLB:1:3:6.7:9.10.11,THB:4:3:6.7:9.10.11,12:10:3:6.7,(-1.51,-1.3,;-.6,-.05,;-1.22,1.36,;.93,-.22,;1.51,1.21,;1.98,-1.04,;1.38,-2.36,;.22,-3.07,;1.19,-1.74,;3.01,-1.74,;3.97,-2.54,;3.71,-1.01,;4.74,-3.87,;3.97,-5.2,;2.43,-5.2,;4.74,-6.54,;6.28,-6.54,;7.05,-7.87,;3.97,-7.87,;4.73,-9.21,;3.96,-10.54,;2.42,-10.54,;1.65,-9.2,;2.43,-7.87,)| Show InChI InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1 | PDB
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| 0.510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Pharmaceutical Co., Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 297: 790-7 (2001)
BindingDB Entry DOI: 10.7270/Q24T6GX9 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50194642
((2R)-1-((2S,4R)-4-hydroxy-1-[3,3,3-tris(4-fluoroph...)Show SMILES CN1CCC(CNC(=O)[C@H]2CCCN2C(=O)[C@@H]2C[C@@H](O)CN2C(=O)CC(c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C38H43F3N4O4/c1-43-19-16-25(17-20-43)23-42-36(48)33-3-2-18-44(33)37(49)34-21-32(46)24-45(34)35(47)22-38(26-4-10-29(39)11-5-26,27-6-12-30(40)13-7-27)28-8-14-31(41)15-9-28/h4-15,25,32-34,46H,2-3,16-24H2,1H3,(H,42,48)/t32-,33-,34+/m1/s1 | PDB
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| 0.510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tsukuba Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of [3H]NMS binding to human cloned M3 receptor expressed in CHO cells |
J Med Chem 49: 5653-63 (2006)
Article DOI: 10.1021/jm051205r
BindingDB Entry DOI: 10.7270/Q2F76C6K |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50194655
((2R)-N-(1-cyclopentyl-4-piperidinylmethyl)-1-((2S,...)Show SMILES O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1CCC[C@@H]1C(=O)NCC1CCN(CC1)C1CCCC1 Show InChI InChI=1S/C42H49F3N4O4/c43-32-13-7-29(8-14-32)42(30-9-15-33(44)16-10-30,31-11-17-34(45)18-12-31)25-39(51)49-27-36(50)24-38(49)41(53)48-21-3-6-37(48)40(52)46-26-28-19-22-47(23-20-28)35-4-1-2-5-35/h7-18,28,35-38,50H,1-6,19-27H2,(H,46,52)/t36-,37-,38+/m1/s1 | PDB
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| 0.510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tsukuba Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of [3H]NMS binding to human cloned M3 receptor expressed in CHO cells |
J Med Chem 49: 5653-63 (2006)
Article DOI: 10.1021/jm051205r
BindingDB Entry DOI: 10.7270/Q2F76C6K |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50194639
((2R)-N-(1-cyclobutylmethyl-4-piperidinylmethyl)-1-...)Show SMILES O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1CCC[C@@H]1C(=O)NCC1CCN(CC2CCC2)CC1 Show InChI InChI=1S/C42H49F3N4O4/c43-33-12-6-30(7-13-33)42(31-8-14-34(44)15-9-31,32-10-16-35(45)17-11-32)24-39(51)49-27-36(50)23-38(49)41(53)48-20-2-5-37(48)40(52)46-25-28-18-21-47(22-19-28)26-29-3-1-4-29/h6-17,28-29,36-38,50H,1-5,18-27H2,(H,46,52)/t36-,37-,38+/m1/s1 | PDB
Reactome pathway
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| 0.530 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tsukuba Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of [3H]NMS binding to human cloned M3 receptor expressed in CHO cells |
J Med Chem 49: 5653-63 (2006)
Article DOI: 10.1021/jm051205r
BindingDB Entry DOI: 10.7270/Q2F76C6K |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human)) | BDBM86231
(ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...)Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |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 | Reactome pathway
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| 0.540 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Pharmaceutical Co., Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 297: 790-7 (2001)
BindingDB Entry DOI: 10.7270/Q24T6GX9 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM82372
(CAS_22254-24-6 | Ipratropium | NSC_3746)Show SMILES CC(C)[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |TLB:1:3:6.7:9.10.11,THB:4:3:6.7:9.10.11,12:10:3:6.7,(-1.51,-1.3,;-.6,-.05,;-1.22,1.36,;.93,-.22,;1.51,1.21,;1.98,-1.04,;1.38,-2.36,;.22,-3.07,;1.19,-1.74,;3.01,-1.74,;3.97,-2.54,;3.71,-1.01,;4.74,-3.87,;3.97,-5.2,;2.43,-5.2,;4.74,-6.54,;6.28,-6.54,;7.05,-7.87,;3.97,-7.87,;4.73,-9.21,;3.96,-10.54,;2.42,-10.54,;1.65,-9.2,;2.43,-7.87,)| Show InChI InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1 | PDB
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| 0.660 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Pharmaceutical Co., Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 297: 790-7 (2001)
BindingDB Entry DOI: 10.7270/Q24T6GX9 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | 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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| 0.840 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Pharmaceutical Co., Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 297: 790-7 (2001)
BindingDB Entry DOI: 10.7270/Q24T6GX9 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | 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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| 0.840 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Tsukuba Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity (Ki) against binding of [3H]NMS using membranes from CHO cells expressing cloned human Muscarinic acetylcholine receptor M3 |
J Med Chem 45: 984-7 (2002)
BindingDB Entry DOI: 10.7270/Q2P26ZVK |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50194657
((2R)-N-(1-ethyl-4-piperidinylmethyl)-1-((2S,4R)-4-...)Show SMILES CCN1CCC(CNC(=O)[C@H]2CCCN2C(=O)[C@@H]2C[C@@H](O)CN2C(=O)CC(c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C39H45F3N4O4/c1-2-44-20-17-26(18-21-44)24-43-37(49)34-4-3-19-45(34)38(50)35-22-33(47)25-46(35)36(48)23-39(27-5-11-30(40)12-6-27,28-7-13-31(41)14-8-28)29-9-15-32(42)16-10-29/h5-16,26,33-35,47H,2-4,17-25H2,1H3,(H,43,49)/t33-,34-,35+/m1/s1 | PDB
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| 0.920 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tsukuba Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of [3H]NMS binding to human cloned M3 receptor expressed in CHO cells |
J Med Chem 49: 5653-63 (2006)
Article DOI: 10.1021/jm051205r
BindingDB Entry DOI: 10.7270/Q2F76C6K |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50129387
((R)-1-(4-Amino-piperidin-1-yl)-2-cyclopentyl-2-hyd...)Show InChI InChI=1S/C18H26N2O2/c19-16-10-12-20(13-11-16)17(21)18(22,15-8-4-5-9-15)14-6-2-1-3-7-14/h1-3,6-7,15-16,22H,4-5,8-13,19H2/t18-/m0/s1 | UniProtKB/SwissProt
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| 0.980 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human Muscarinic acetylcholine receptor M1 in transfected CHO cells |
Bioorg Med Chem Lett 13: 2167-72 (2003)
BindingDB Entry DOI: 10.7270/Q29G5M68 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50129390
((R)-1-[4-(2-Amino-ethyl)-4-ethyl-piperidin-1-yl]-2...)Show SMILES CCC1(CCN)CCN(CC1)C(=O)[C@@](O)([C@@H]1CCC(F)(F)C1)c1ccccc1 Show InChI InChI=1S/C22H32F2N2O2/c1-2-20(10-13-25)11-14-26(15-12-20)19(27)22(28,17-6-4-3-5-7-17)18-8-9-21(23,24)16-18/h3-7,18,28H,2,8-16,25H2,1H3/t18-,22+/m1/s1 | UniProtKB/SwissProt
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human Muscarinic acetylcholine receptor M1 in transfected CHO cells |
Bioorg Med Chem Lett 13: 2167-72 (2003)
BindingDB Entry DOI: 10.7270/Q29G5M68 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50129399
((R)-1-[4-(2-Amino-ethyl)-piperidin-1-yl]-2-cyclope...)Show SMILES NCCC1CCN(CC1)C(=O)[C@@](O)(C1CCCC1)c1ccccc1 Show InChI InChI=1S/C20H30N2O2/c21-13-10-16-11-14-22(15-12-16)19(23)20(24,18-8-4-5-9-18)17-6-2-1-3-7-17/h1-3,6-7,16,18,24H,4-5,8-15,21H2/t20-/m0/s1 | PDB
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| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human muscarinic acetylcholine receptor M3 in transfected CHO cells |
Bioorg Med Chem Lett 13: 2167-72 (2003)
BindingDB Entry DOI: 10.7270/Q29G5M68 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50129392
((R)-1-[4-(2-Amino-ethylidene)-piperidin-1-yl]-2-((...)Show SMILES [#7]-[#6]\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)[C@@]([#8])([#6@@H]-1-[#6]-[#6]C(F)(F)[#6]-1)c1ccccc1 Show InChI InChI=1S/C20H26F2N2O2/c21-19(22)10-6-17(14-19)20(26,16-4-2-1-3-5-16)18(25)24-12-8-15(7-11-23)9-13-24/h1-5,7,17,26H,6,8-14,23H2/t17-,20+/m1/s1 | PDB
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| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human muscarinic acetylcholine receptor M3 in transfected CHO cells |
Bioorg Med Chem Lett 13: 2167-72 (2003)
BindingDB Entry DOI: 10.7270/Q29G5M68 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50194649
((2R)-1-((2S,4R)-4-hydroxy-1-[3,3,3-tris(4-chloroph...)Show SMILES O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(=O)N1CCC[C@@H]1C(=O)NCCC1CCNCC1 Show InChI InChI=1S/C38H43Cl3N4O4/c39-29-9-3-26(4-10-29)38(27-5-11-30(40)12-6-27,28-7-13-31(41)14-8-28)23-35(47)45-24-32(46)22-34(45)37(49)44-21-1-2-33(44)36(48)43-20-17-25-15-18-42-19-16-25/h3-14,25,32-34,42,46H,1-2,15-24H2,(H,43,48)/t32-,33-,34+/m1/s1 | PDB
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| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tsukuba Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of [3H]NMS binding to human cloned M3 receptor expressed in CHO cells |
J Med Chem 49: 5653-63 (2006)
Article DOI: 10.1021/jm051205r
BindingDB Entry DOI: 10.7270/Q2F76C6K |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50129392
((R)-1-[4-(2-Amino-ethylidene)-piperidin-1-yl]-2-((...)Show SMILES [#7]-[#6]\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)[C@@]([#8])([#6@@H]-1-[#6]-[#6]C(F)(F)[#6]-1)c1ccccc1 Show InChI InChI=1S/C20H26F2N2O2/c21-19(22)10-6-17(14-19)20(26,16-4-2-1-3-5-16)18(25)24-12-8-15(7-11-23)9-13-24/h1-5,7,17,26H,6,8-14,23H2/t17-,20+/m1/s1 | UniProtKB/SwissProt
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human Muscarinic acetylcholine receptor M1 in transfected CHO cells |
Bioorg Med Chem Lett 13: 2167-72 (2003)
BindingDB Entry DOI: 10.7270/Q29G5M68 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50129387
((R)-1-(4-Amino-piperidin-1-yl)-2-cyclopentyl-2-hyd...)Show InChI InChI=1S/C18H26N2O2/c19-16-10-12-20(13-11-16)17(21)18(22,15-8-4-5-9-15)14-6-2-1-3-7-14/h1-3,6-7,15-16,22H,4-5,8-13,19H2/t18-/m0/s1 | PDB
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| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human muscarinic acetylcholine receptor M3 in transfected CHO cells |
Bioorg Med Chem Lett 13: 2167-72 (2003)
BindingDB Entry DOI: 10.7270/Q29G5M68 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50095657
((R)-N-[1-(6-Amino-pyridin-2-ylmethyl)-piperidin-4-...)Show SMILES Nc1cccc(CN2CCC(CC2)NC(=O)[C@@](O)([C@@H]2CCC(F)(F)C2)c2ccccc2)n1 Show InChI InChI=1S/C24H30F2N4O2/c25-23(26)12-9-18(15-23)24(32,17-5-2-1-3-6-17)22(31)29-19-10-13-30(14-11-19)16-20-7-4-8-21(27)28-20/h1-8,18-19,32H,9-16H2,(H2,27,28)(H,29,31)/t18-,24+/m1/s1 | UniProtKB/SwissProt
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| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human Muscarinic acetylcholine receptor M1 in transfected CHO cells |
Bioorg Med Chem Lett 13: 2167-72 (2003)
BindingDB Entry DOI: 10.7270/Q29G5M68 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM82372
(CAS_22254-24-6 | Ipratropium | NSC_3746)Show SMILES CC(C)[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |TLB:1:3:6.7:9.10.11,THB:4:3:6.7:9.10.11,12:10:3:6.7,(-1.51,-1.3,;-.6,-.05,;-1.22,1.36,;.93,-.22,;1.51,1.21,;1.98,-1.04,;1.38,-2.36,;.22,-3.07,;1.19,-1.74,;3.01,-1.74,;3.97,-2.54,;3.71,-1.01,;4.74,-3.87,;3.97,-5.2,;2.43,-5.2,;4.74,-6.54,;6.28,-6.54,;7.05,-7.87,;3.97,-7.87,;4.73,-9.21,;3.96,-10.54,;2.42,-10.54,;1.65,-9.2,;2.43,-7.87,)| Show InChI InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1 | PDB
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| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Pharmaceutical Co., Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 297: 790-7 (2001)
BindingDB Entry DOI: 10.7270/Q24T6GX9 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM86231
(ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...)Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |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 | PDB
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| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Pharmaceutical Co., Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 297: 790-7 (2001)
BindingDB Entry DOI: 10.7270/Q24T6GX9 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50129397
((R)-1-[4-(2-Amino-ethyl)-4-methyl-piperidin-1-yl]-...)Show SMILES CC1(CCN)CCN(CC1)C(=O)[C@@](O)([C@@H]1CCC(F)(F)C1)c1ccccc1 Show InChI InChI=1S/C21H30F2N2O2/c1-19(9-12-24)10-13-25(14-11-19)18(26)21(27,16-5-3-2-4-6-16)17-7-8-20(22,23)15-17/h2-6,17,27H,7-15,24H2,1H3/t17-,21+/m1/s1 | UniProtKB/SwissProt
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| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human Muscarinic acetylcholine receptor M1 in transfected CHO cells |
Bioorg Med Chem Lett 13: 2167-72 (2003)
BindingDB Entry DOI: 10.7270/Q29G5M68 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50194643
((2R)-1-((2S,4R)-4-hydroxy-1-[3,3,3-tris(4-chloroph...)Show SMILES O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCNC1 Show InChI InChI=1S/C37H41Cl3N4O4/c38-28-11-5-25(6-12-28)37(26-7-13-29(39)14-8-26,27-9-15-30(40)16-10-27)20-34(46)44-23-31(45)19-33(44)36(48)43-18-2-4-32(43)35(47)42-22-24-3-1-17-41-21-24/h5-16,24,31-33,41,45H,1-4,17-23H2,(H,42,47)/t24-,31-,32-,33+/m1/s1 | PDB
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| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tsukuba Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of [3H]NMS binding to human cloned M3 receptor expressed in CHO cells |
J Med Chem 49: 5653-63 (2006)
Article DOI: 10.1021/jm051205r
BindingDB Entry DOI: 10.7270/Q2F76C6K |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human)) | BDBM82372
(CAS_22254-24-6 | Ipratropium | NSC_3746)Show SMILES CC(C)[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |TLB:1:3:6.7:9.10.11,THB:4:3:6.7:9.10.11,12:10:3:6.7,(-1.51,-1.3,;-.6,-.05,;-1.22,1.36,;.93,-.22,;1.51,1.21,;1.98,-1.04,;1.38,-2.36,;.22,-3.07,;1.19,-1.74,;3.01,-1.74,;3.97,-2.54,;3.71,-1.01,;4.74,-3.87,;3.97,-5.2,;2.43,-5.2,;4.74,-6.54,;6.28,-6.54,;7.05,-7.87,;3.97,-7.87,;4.73,-9.21,;3.96,-10.54,;2.42,-10.54,;1.65,-9.2,;2.43,-7.87,)| Show InChI InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1 | Reactome pathway
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| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Pharmaceutical Co., Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 297: 790-7 (2001)
BindingDB Entry DOI: 10.7270/Q24T6GX9 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(RAT) | BDBM85787
(Compound A)Show SMILES Nc1cocc(CN2CCC(CC2)NC(=O)[C@@](O)([C@@H]2CCC(F)(F)C2)c2ccccc2)n1 |r| | Reactome pathway
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| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Pharmaceutical Co., Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 297: 790-7 (2001)
BindingDB Entry DOI: 10.7270/Q24T6GX9 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50129410
((R)-1-(4-Aminomethyl-piperidin-1-yl)-2-cyclopentyl...)Show InChI InChI=1S/C19H28N2O2/c20-14-15-10-12-21(13-11-15)18(22)19(23,17-8-4-5-9-17)16-6-2-1-3-7-16/h1-3,6-7,15,17,23H,4-5,8-14,20H2/t19-/m0/s1 | PDB
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| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human muscarinic acetylcholine receptor M3 in transfected CHO cells |
Bioorg Med Chem Lett 13: 2167-72 (2003)
BindingDB Entry DOI: 10.7270/Q29G5M68 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50129410
((R)-1-(4-Aminomethyl-piperidin-1-yl)-2-cyclopentyl...)Show InChI InChI=1S/C19H28N2O2/c20-14-15-10-12-21(13-11-15)18(22)19(23,17-8-4-5-9-17)16-6-2-1-3-7-16/h1-3,6-7,15,17,23H,4-5,8-14,20H2/t19-/m0/s1 | UniProtKB/SwissProt
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| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human Muscarinic acetylcholine receptor M1 in transfected CHO cells |
Bioorg Med Chem Lett 13: 2167-72 (2003)
BindingDB Entry DOI: 10.7270/Q29G5M68 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50129409
((R)-1-(3-Aminomethyl-pyrrolidin-1-yl)-2-((R)-3,3-d...)Show SMILES NCC1CCN(C1)C(=O)[C@@](O)([C@@H]1CCC(F)(F)C1)c1ccccc1 Show InChI InChI=1S/C18H24F2N2O2/c19-17(20)8-6-15(10-17)18(24,14-4-2-1-3-5-14)16(23)22-9-7-13(11-21)12-22/h1-5,13,15,24H,6-12,21H2/t13?,15-,18+/m1/s1 | UniProtKB/SwissProt
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| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human Muscarinic acetylcholine receptor M1 in transfected CHO cells |
Bioorg Med Chem Lett 13: 2167-72 (2003)
BindingDB Entry DOI: 10.7270/Q29G5M68 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50129399
((R)-1-[4-(2-Amino-ethyl)-piperidin-1-yl]-2-cyclope...)Show SMILES NCCC1CCN(CC1)C(=O)[C@@](O)(C1CCCC1)c1ccccc1 Show InChI InChI=1S/C20H30N2O2/c21-13-10-16-11-14-22(15-12-16)19(23)20(24,18-8-4-5-9-18)17-6-2-1-3-7-17/h1-3,6-7,16,18,24H,4-5,8-15,21H2/t20-/m0/s1 | UniProtKB/SwissProt
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| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human Muscarinic acetylcholine receptor M1 in transfected CHO cells |
Bioorg Med Chem Lett 13: 2167-72 (2003)
BindingDB Entry DOI: 10.7270/Q29G5M68 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50109650
(CHEMBL369062 | N-{2-[(1-Cyclohexylmethyl-piperidin...)Show SMILES O=C(CCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCC(=O)NCC1CCCN(CC2CCCCC2)C1 Show InChI InChI=1S/C41H54N4O3/c46-38(43-27-25-39(47)44-30-34-17-14-28-45(32-34)31-33-15-5-1-6-16-33)24-13-26-42-40(48)29-41(35-18-7-2-8-19-35,36-20-9-3-10-21-36)37-22-11-4-12-23-37/h2-4,7-12,18-23,33-34H,1,5-6,13-17,24-32H2,(H,42,48)(H,43,46)(H,44,47) | PDB
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| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Tsukuba Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity (Ki) against binding of [3H]NMS using membranes from CHO cells expressing cloned human Muscarinic acetylcholine receptor M3 |
J Med Chem 45: 984-7 (2002)
BindingDB Entry DOI: 10.7270/Q2P26ZVK |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human)) | 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 | Reactome pathway
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| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Pharmaceutical Co., Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 297: 790-7 (2001)
BindingDB Entry DOI: 10.7270/Q24T6GX9 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human)) | 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 | Reactome pathway
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| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Tsukuba Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity (Ki) against binding of [3H]NMS using membranes from CHO cells expressing cloned human Muscarinic acetylcholine receptor M5 |
J Med Chem 45: 984-7 (2002)
BindingDB Entry DOI: 10.7270/Q2P26ZVK |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50194646
((2R)-1-((2S,4R)-4-hydroxy-1-[3,3,3-tris(4-fluoroph...)Show SMILES CC(C)NC(=O)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C34H36F3N3O4/c1-21(2)38-32(43)29-4-3-17-39(29)33(44)30-18-28(41)20-40(30)31(42)19-34(22-5-11-25(35)12-6-22,23-7-13-26(36)14-8-23)24-9-15-27(37)16-10-24/h5-16,21,28-30,41H,3-4,17-20H2,1-2H3,(H,38,43)/t28-,29-,30+/m1/s1 | PDB
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| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tsukuba Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of [3H]NMS binding to human cloned M3 receptor expressed in CHO cells |
J Med Chem 49: 5653-63 (2006)
Article DOI: 10.1021/jm051205r
BindingDB Entry DOI: 10.7270/Q2F76C6K |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(RAT) | BDBM85787
(Compound A)Show SMILES Nc1cocc(CN2CCC(CC2)NC(=O)[C@@](O)([C@@H]2CCC(F)(F)C2)c2ccccc2)n1 |r| | PDB
Reactome pathway
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| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Pharmaceutical Co., Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 297: 790-7 (2001)
BindingDB Entry DOI: 10.7270/Q24T6GX9 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM85787
(Compound A)Show SMILES Nc1cocc(CN2CCC(CC2)NC(=O)[C@@](O)([C@@H]2CCC(F)(F)C2)c2ccccc2)n1 |r| | PDB
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| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Pharmaceutical Co., Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 297: 790-7 (2001)
BindingDB Entry DOI: 10.7270/Q24T6GX9 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50095657
((R)-N-[1-(6-Amino-pyridin-2-ylmethyl)-piperidin-4-...)Show SMILES Nc1cccc(CN2CCC(CC2)NC(=O)[C@@](O)([C@@H]2CCC(F)(F)C2)c2ccccc2)n1 Show InChI InChI=1S/C24H30F2N4O2/c25-23(26)12-9-18(15-23)24(32,17-5-2-1-3-6-17)22(31)29-19-10-13-30(14-11-19)16-20-7-4-8-21(27)28-20/h1-8,18-19,32H,9-16H2,(H2,27,28)(H,29,31)/t18-,24+/m1/s1 | PDB
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| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human muscarinic acetylcholine receptor M3 in transfected CHO cells |
Bioorg Med Chem Lett 13: 2167-72 (2003)
BindingDB Entry DOI: 10.7270/Q29G5M68 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50194647
((2R)-1-[(2S,4R)-4-hydroxy-1-(3,3,3-triphenylpropan...)Show SMILES O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@@H]1C(=O)NCCC1CCNCC1 Show InChI InChI=1S/C38H46N4O4/c43-32-25-34(37(46)41-24-10-17-33(41)36(45)40-23-20-28-18-21-39-22-19-28)42(27-32)35(44)26-38(29-11-4-1-5-12-29,30-13-6-2-7-14-30)31-15-8-3-9-16-31/h1-9,11-16,28,32-34,39,43H,10,17-27H2,(H,40,45)/t32-,33-,34+/m1/s1 | PDB
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| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tsukuba Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of [3H]NMS binding to human cloned M3 receptor expressed in CHO cells |
J Med Chem 49: 5653-63 (2006)
Article DOI: 10.1021/jm051205r
BindingDB Entry DOI: 10.7270/Q2F76C6K |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50129409
((R)-1-(3-Aminomethyl-pyrrolidin-1-yl)-2-((R)-3,3-d...)Show SMILES NCC1CCN(C1)C(=O)[C@@](O)([C@@H]1CCC(F)(F)C1)c1ccccc1 Show InChI InChI=1S/C18H24F2N2O2/c19-17(20)8-6-15(10-17)18(24,14-4-2-1-3-5-14)16(23)22-9-7-13(11-21)12-22/h1-5,13,15,24H,6-12,21H2/t13?,15-,18+/m1/s1 | PDB
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| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human muscarinic acetylcholine receptor M3 in transfected CHO cells |
Bioorg Med Chem Lett 13: 2167-72 (2003)
BindingDB Entry DOI: 10.7270/Q29G5M68 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50129404
((R)-1-(4-Amino-piperidin-1-yl)-2-((R)-3,3-difluoro...)Show SMILES NC1CCN(CC1)C(=O)[C@@](O)([C@@H]1CCC(F)(F)C1)c1ccccc1 Show InChI InChI=1S/C18H24F2N2O2/c19-17(20)9-6-14(12-17)18(24,13-4-2-1-3-5-13)16(23)22-10-7-15(21)8-11-22/h1-5,14-15,24H,6-12,21H2/t14-,18+/m1/s1 | UniProtKB/SwissProt
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human Muscarinic acetylcholine receptor M1 in transfected CHO cells |
Bioorg Med Chem Lett 13: 2167-72 (2003)
BindingDB Entry DOI: 10.7270/Q29G5M68 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50129397
((R)-1-[4-(2-Amino-ethyl)-4-methyl-piperidin-1-yl]-...)Show SMILES CC1(CCN)CCN(CC1)C(=O)[C@@](O)([C@@H]1CCC(F)(F)C1)c1ccccc1 Show InChI InChI=1S/C21H30F2N2O2/c1-19(9-12-24)10-13-25(14-11-19)18(26)21(27,16-5-3-2-4-6-16)17-7-8-20(22,23)15-17/h2-6,17,27H,7-15,24H2,1H3/t17-,21+/m1/s1 | PDB
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| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human muscarinic acetylcholine receptor M3 in transfected CHO cells |
Bioorg Med Chem Lett 13: 2167-72 (2003)
BindingDB Entry DOI: 10.7270/Q29G5M68 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50109644
(CHEMBL177040 | N-(1-Cyclohexylmethyl-piperidin-3-y...)Show SMILES O=C(CCCNC(=O)CNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCC1CCCN(CC2CCCCC2)C1 Show InChI InChI=1S/C40H52N4O3/c45-37(42-28-33-17-14-26-44(31-33)30-32-15-5-1-6-16-32)24-13-25-41-39(47)29-43-38(46)27-40(34-18-7-2-8-19-34,35-20-9-3-10-21-35)36-22-11-4-12-23-36/h2-4,7-12,18-23,32-33H,1,5-6,13-17,24-31H2,(H,41,47)(H,42,45)(H,43,46) | PDB
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| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Tsukuba Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity (Ki) against binding of [3H]NMS using membranes from CHO cells expressing cloned human Muscarinic acetylcholine receptor M3 |
J Med Chem 45: 984-7 (2002)
BindingDB Entry DOI: 10.7270/Q2P26ZVK |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50194644
((2R)-1-[(2S,4R)-4-hydroxy-1-(3,3,3-triphenylpropan...)Show SMILES O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCNC1 Show InChI InChI=1S/C37H44N4O4/c42-31-22-33(36(45)40-21-11-19-32(40)35(44)39-25-27-12-10-20-38-24-27)41(26-31)34(43)23-37(28-13-4-1-5-14-28,29-15-6-2-7-16-29)30-17-8-3-9-18-30/h1-9,13-18,27,31-33,38,42H,10-12,19-26H2,(H,39,44)/t27-,31-,32-,33+/m1/s1 | PDB
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| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tsukuba Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of [3H]NMS binding to human cloned M3 receptor expressed in CHO cells |
J Med Chem 49: 5653-63 (2006)
Article DOI: 10.1021/jm051205r
BindingDB Entry DOI: 10.7270/Q2F76C6K |
More data for this
Ligand-Target Pair | |
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