Found 5 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M2' and Ligand = 'BDBM50497841' 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 M2
(Homo sapiens (Human)) | BDBM50497841
(CHEMBL3323280)Show SMILES [Br-].[Br-].[H][C@@]12CC[C@]([H])(C[C@H](C1)OC(=O)C(CO)c1ccccc1)[N+]2(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c2ccccc2C1=O |r,wD:9.9,3.0,6.4,TLB:25:23:9.10.8:4.5,11:9:23:4.5,(32.13,-8.94,;23.31,-4.96,;24.54,-13.76,;24.48,-11.89,;23.12,-12.62,;22.82,-14.11,;23.84,-13.39,;24.45,-15.15,;25.3,-13.32,;26.34,-14.07,;25.95,-12.55,;26.34,-15.59,;27.63,-16.32,;27.63,-17.81,;28.92,-15.57,;28.92,-14.07,;30.24,-13.34,;30.24,-16.32,;31.53,-15.57,;32.83,-16.32,;32.83,-17.81,;31.53,-18.56,;30.24,-17.81,;23.34,-10.74,;22.64,-9.42,;21.8,-10.74,;21.03,-9.4,;19.49,-9.4,;18.72,-8.07,;17.17,-8.07,;16.4,-6.73,;14.85,-6.72,;14.45,-5.23,;15.94,-5.63,;14.09,-8.07,;12.54,-8.07,;11.2,-7.3,;12.54,-6.53,;11.78,-9.41,;10.24,-9.42,;9.32,-8.17,;9.79,-6.7,;7.86,-8.66,;6.53,-7.9,;5.2,-8.68,;5.21,-10.22,;6.55,-10.98,;7.87,-10.2,;9.34,-10.67,;9.82,-12.13,)| Show InChI InChI=1S/C38H55N3O5.2BrH/c1-38(2,26-39-35(43)32-17-11-12-18-33(32)36(39)44)27-40(3,4)21-13-6-7-14-22-41(5)29-19-20-30(41)24-31(23-29)46-37(45)34(25-42)28-15-9-8-10-16-28;;/h8-12,15-18,29-31,34,42H,6-7,13-14,19-27H2,1-5H3;2*1H/q+2;;/p-2/t29-,30-,31-,34?,41?;;/m1../s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of W£rzburg
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMS from wild-type human muscarinic M2 receptor expressed in Flp-In-CHO cells by liquid scintillation counting |
J Med Chem 57: 6739-50 (2014)
Article DOI: 10.1021/jm500790x
BindingDB Entry DOI: 10.7270/Q2RJ4NGM |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50497841
(CHEMBL3323280)Show SMILES [Br-].[Br-].[H][C@@]12CC[C@]([H])(C[C@H](C1)OC(=O)C(CO)c1ccccc1)[N+]2(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c2ccccc2C1=O |r,wD:9.9,3.0,6.4,TLB:25:23:9.10.8:4.5,11:9:23:4.5,(32.13,-8.94,;23.31,-4.96,;24.54,-13.76,;24.48,-11.89,;23.12,-12.62,;22.82,-14.11,;23.84,-13.39,;24.45,-15.15,;25.3,-13.32,;26.34,-14.07,;25.95,-12.55,;26.34,-15.59,;27.63,-16.32,;27.63,-17.81,;28.92,-15.57,;28.92,-14.07,;30.24,-13.34,;30.24,-16.32,;31.53,-15.57,;32.83,-16.32,;32.83,-17.81,;31.53,-18.56,;30.24,-17.81,;23.34,-10.74,;22.64,-9.42,;21.8,-10.74,;21.03,-9.4,;19.49,-9.4,;18.72,-8.07,;17.17,-8.07,;16.4,-6.73,;14.85,-6.72,;14.45,-5.23,;15.94,-5.63,;14.09,-8.07,;12.54,-8.07,;11.2,-7.3,;12.54,-6.53,;11.78,-9.41,;10.24,-9.42,;9.32,-8.17,;9.79,-6.7,;7.86,-8.66,;6.53,-7.9,;5.2,-8.68,;5.21,-10.22,;6.55,-10.98,;7.87,-10.2,;9.34,-10.67,;9.82,-12.13,)| Show InChI InChI=1S/C38H55N3O5.2BrH/c1-38(2,26-39-35(43)32-17-11-12-18-33(32)36(39)44)27-40(3,4)21-13-6-7-14-22-41(5)29-19-20-30(41)24-31(23-29)46-37(45)34(25-42)28-15-9-8-10-16-28;;/h8-12,15-18,29-31,34,42H,6-7,13-14,19-27H2,1-5H3;2*1H/q+2;;/p-2/t29-,30-,31-,34?,41?;;/m1../s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of W£rzburg
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMS from human muscarinic M2 Y177Q/T423H mutant expressed in Flp-In-CHO cells by liquid scintillation counting |
J Med Chem 57: 6739-50 (2014)
Article DOI: 10.1021/jm500790x
BindingDB Entry DOI: 10.7270/Q2RJ4NGM |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50497841
(CHEMBL3323280)Show SMILES [Br-].[Br-].[H][C@@]12CC[C@]([H])(C[C@H](C1)OC(=O)C(CO)c1ccccc1)[N+]2(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c2ccccc2C1=O |r,wD:9.9,3.0,6.4,TLB:25:23:9.10.8:4.5,11:9:23:4.5,(32.13,-8.94,;23.31,-4.96,;24.54,-13.76,;24.48,-11.89,;23.12,-12.62,;22.82,-14.11,;23.84,-13.39,;24.45,-15.15,;25.3,-13.32,;26.34,-14.07,;25.95,-12.55,;26.34,-15.59,;27.63,-16.32,;27.63,-17.81,;28.92,-15.57,;28.92,-14.07,;30.24,-13.34,;30.24,-16.32,;31.53,-15.57,;32.83,-16.32,;32.83,-17.81,;31.53,-18.56,;30.24,-17.81,;23.34,-10.74,;22.64,-9.42,;21.8,-10.74,;21.03,-9.4,;19.49,-9.4,;18.72,-8.07,;17.17,-8.07,;16.4,-6.73,;14.85,-6.72,;14.45,-5.23,;15.94,-5.63,;14.09,-8.07,;12.54,-8.07,;11.2,-7.3,;12.54,-6.53,;11.78,-9.41,;10.24,-9.42,;9.32,-8.17,;9.79,-6.7,;7.86,-8.66,;6.53,-7.9,;5.2,-8.68,;5.21,-10.22,;6.55,-10.98,;7.87,-10.2,;9.34,-10.67,;9.82,-12.13,)| Show InChI InChI=1S/C38H55N3O5.2BrH/c1-38(2,26-39-35(43)32-17-11-12-18-33(32)36(39)44)27-40(3,4)21-13-6-7-14-22-41(5)29-19-20-30(41)24-31(23-29)46-37(45)34(25-42)28-15-9-8-10-16-28;;/h8-12,15-18,29-31,34,42H,6-7,13-14,19-27H2,1-5H3;2*1H/q+2;;/p-2/t29-,30-,31-,34?,41?;;/m1../s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 9.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of W£rzburg
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMS from human muscarinic M2 Y177Q mutant expressed in Flp-In-CHO cells by liquid scintillation counting |
J Med Chem 57: 6739-50 (2014)
Article DOI: 10.1021/jm500790x
BindingDB Entry DOI: 10.7270/Q2RJ4NGM |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50497841
(CHEMBL3323280)Show SMILES [Br-].[Br-].[H][C@@]12CC[C@]([H])(C[C@H](C1)OC(=O)C(CO)c1ccccc1)[N+]2(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c2ccccc2C1=O |r,wD:9.9,3.0,6.4,TLB:25:23:9.10.8:4.5,11:9:23:4.5,(32.13,-8.94,;23.31,-4.96,;24.54,-13.76,;24.48,-11.89,;23.12,-12.62,;22.82,-14.11,;23.84,-13.39,;24.45,-15.15,;25.3,-13.32,;26.34,-14.07,;25.95,-12.55,;26.34,-15.59,;27.63,-16.32,;27.63,-17.81,;28.92,-15.57,;28.92,-14.07,;30.24,-13.34,;30.24,-16.32,;31.53,-15.57,;32.83,-16.32,;32.83,-17.81,;31.53,-18.56,;30.24,-17.81,;23.34,-10.74,;22.64,-9.42,;21.8,-10.74,;21.03,-9.4,;19.49,-9.4,;18.72,-8.07,;17.17,-8.07,;16.4,-6.73,;14.85,-6.72,;14.45,-5.23,;15.94,-5.63,;14.09,-8.07,;12.54,-8.07,;11.2,-7.3,;12.54,-6.53,;11.78,-9.41,;10.24,-9.42,;9.32,-8.17,;9.79,-6.7,;7.86,-8.66,;6.53,-7.9,;5.2,-8.68,;5.21,-10.22,;6.55,-10.98,;7.87,-10.2,;9.34,-10.67,;9.82,-12.13,)| Show InChI InChI=1S/C38H55N3O5.2BrH/c1-38(2,26-39-35(43)32-17-11-12-18-33(32)36(39)44)27-40(3,4)21-13-6-7-14-22-41(5)29-19-20-30(41)24-31(23-29)46-37(45)34(25-42)28-15-9-8-10-16-28;;/h8-12,15-18,29-31,34,42H,6-7,13-14,19-27H2,1-5H3;2*1H/q+2;;/p-2/t29-,30-,31-,34?,41?;;/m1../s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 9.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of W£rzburg
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMS from human muscarinic M2 Y104A mutant expressed in Flp-In-CHO cells by liquid scintillation counting |
J Med Chem 57: 6739-50 (2014)
Article DOI: 10.1021/jm500790x
BindingDB Entry DOI: 10.7270/Q2RJ4NGM |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50497841
(CHEMBL3323280)Show SMILES [Br-].[Br-].[H][C@@]12CC[C@]([H])(C[C@H](C1)OC(=O)C(CO)c1ccccc1)[N+]2(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c2ccccc2C1=O |r,wD:9.9,3.0,6.4,TLB:25:23:9.10.8:4.5,11:9:23:4.5,(32.13,-8.94,;23.31,-4.96,;24.54,-13.76,;24.48,-11.89,;23.12,-12.62,;22.82,-14.11,;23.84,-13.39,;24.45,-15.15,;25.3,-13.32,;26.34,-14.07,;25.95,-12.55,;26.34,-15.59,;27.63,-16.32,;27.63,-17.81,;28.92,-15.57,;28.92,-14.07,;30.24,-13.34,;30.24,-16.32,;31.53,-15.57,;32.83,-16.32,;32.83,-17.81,;31.53,-18.56,;30.24,-17.81,;23.34,-10.74,;22.64,-9.42,;21.8,-10.74,;21.03,-9.4,;19.49,-9.4,;18.72,-8.07,;17.17,-8.07,;16.4,-6.73,;14.85,-6.72,;14.45,-5.23,;15.94,-5.63,;14.09,-8.07,;12.54,-8.07,;11.2,-7.3,;12.54,-6.53,;11.78,-9.41,;10.24,-9.42,;9.32,-8.17,;9.79,-6.7,;7.86,-8.66,;6.53,-7.9,;5.2,-8.68,;5.21,-10.22,;6.55,-10.98,;7.87,-10.2,;9.34,-10.67,;9.82,-12.13,)| Show InChI InChI=1S/C38H55N3O5.2BrH/c1-38(2,26-39-35(43)32-17-11-12-18-33(32)36(39)44)27-40(3,4)21-13-6-7-14-22-41(5)29-19-20-30(41)24-31(23-29)46-37(45)34(25-42)28-15-9-8-10-16-28;;/h8-12,15-18,29-31,34,42H,6-7,13-14,19-27H2,1-5H3;2*1H/q+2;;/p-2/t29-,30-,31-,34?,41?;;/m1../s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of W£rzburg
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMS from human muscarinic M2 W422A mutant expressed in Flp-In-CHO cells by liquid scintillation counting |
J Med Chem 57: 6739-50 (2014)
Article DOI: 10.1021/jm500790x
BindingDB Entry DOI: 10.7270/Q2RJ4NGM |
More data for this
Ligand-Target Pair | |
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