Found 5 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M2' and Ligand = 'BDBM50497838' 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)) | BDBM50497838
(CHEMBL3323279)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)C |r,wD:9.9,3.0,6.4,TLB:25:23:9.10.8:4.5,11:9:23:4.5,(37.24,-11.04,;32.43,-8.67,;34.06,-16.83,;33.99,-14.97,;32.61,-15.71,;32.31,-17.23,;33.35,-16.49,;33.95,-18.26,;34.83,-16.43,;35.88,-17.19,;35.49,-15.65,;35.88,-18.74,;37.2,-19.47,;37.2,-20.99,;38.51,-18.71,;38.51,-17.19,;39.85,-16.45,;39.85,-19.47,;41.16,-18.71,;42.48,-19.47,;42.48,-20.99,;41.16,-21.76,;39.85,-20.99,;32.84,-13.8,;32.13,-12.46,;31.27,-13.8,;30.49,-12.44,;28.92,-12.44,;28.13,-11.08,;26.56,-11.08,;25.78,-9.73,;24.21,-9.73,;23.43,-8.37,;23.43,-11.08,;22.63,-9.71,)| Show InChI InChI=1S/C26H44N2O3.2BrH/c1-27(2,3)16-10-5-6-11-17-28(4)22-14-15-23(28)19-24(18-22)31-26(30)25(20-29)21-12-8-7-9-13-21;;/h7-9,12-13,22-25,29H,5-6,10-11,14-20H2,1-4H3;2*1H/q+2;;/p-2/t22-,23-,24-,25?,28?;;/m1../s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 16 | 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)) | BDBM50497838
(CHEMBL3323279)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)C |r,wD:9.9,3.0,6.4,TLB:25:23:9.10.8:4.5,11:9:23:4.5,(37.24,-11.04,;32.43,-8.67,;34.06,-16.83,;33.99,-14.97,;32.61,-15.71,;32.31,-17.23,;33.35,-16.49,;33.95,-18.26,;34.83,-16.43,;35.88,-17.19,;35.49,-15.65,;35.88,-18.74,;37.2,-19.47,;37.2,-20.99,;38.51,-18.71,;38.51,-17.19,;39.85,-16.45,;39.85,-19.47,;41.16,-18.71,;42.48,-19.47,;42.48,-20.99,;41.16,-21.76,;39.85,-20.99,;32.84,-13.8,;32.13,-12.46,;31.27,-13.8,;30.49,-12.44,;28.92,-12.44,;28.13,-11.08,;26.56,-11.08,;25.78,-9.73,;24.21,-9.73,;23.43,-8.37,;23.43,-11.08,;22.63,-9.71,)| Show InChI InChI=1S/C26H44N2O3.2BrH/c1-27(2,3)16-10-5-6-11-17-28(4)22-14-15-23(28)19-24(18-22)31-26(30)25(20-29)21-12-8-7-9-13-21;;/h7-9,12-13,22-25,29H,5-6,10-11,14-20H2,1-4H3;2*1H/q+2;;/p-2/t22-,23-,24-,25?,28?;;/m1../s1 | PDB
UniProtKB/SwissProt
antibodypedia
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 |
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)) | BDBM50497838
(CHEMBL3323279)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)C |r,wD:9.9,3.0,6.4,TLB:25:23:9.10.8:4.5,11:9:23:4.5,(37.24,-11.04,;32.43,-8.67,;34.06,-16.83,;33.99,-14.97,;32.61,-15.71,;32.31,-17.23,;33.35,-16.49,;33.95,-18.26,;34.83,-16.43,;35.88,-17.19,;35.49,-15.65,;35.88,-18.74,;37.2,-19.47,;37.2,-20.99,;38.51,-18.71,;38.51,-17.19,;39.85,-16.45,;39.85,-19.47,;41.16,-18.71,;42.48,-19.47,;42.48,-20.99,;41.16,-21.76,;39.85,-20.99,;32.84,-13.8,;32.13,-12.46,;31.27,-13.8,;30.49,-12.44,;28.92,-12.44,;28.13,-11.08,;26.56,-11.08,;25.78,-9.73,;24.21,-9.73,;23.43,-8.37,;23.43,-11.08,;22.63,-9.71,)| Show InChI InChI=1S/C26H44N2O3.2BrH/c1-27(2,3)16-10-5-6-11-17-28(4)22-14-15-23(28)19-24(18-22)31-26(30)25(20-29)21-12-8-7-9-13-21;;/h7-9,12-13,22-25,29H,5-6,10-11,14-20H2,1-4H3;2*1H/q+2;;/p-2/t22-,23-,24-,25?,28?;;/m1../s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 19 | 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)) | BDBM50497838
(CHEMBL3323279)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)C |r,wD:9.9,3.0,6.4,TLB:25:23:9.10.8:4.5,11:9:23:4.5,(37.24,-11.04,;32.43,-8.67,;34.06,-16.83,;33.99,-14.97,;32.61,-15.71,;32.31,-17.23,;33.35,-16.49,;33.95,-18.26,;34.83,-16.43,;35.88,-17.19,;35.49,-15.65,;35.88,-18.74,;37.2,-19.47,;37.2,-20.99,;38.51,-18.71,;38.51,-17.19,;39.85,-16.45,;39.85,-19.47,;41.16,-18.71,;42.48,-19.47,;42.48,-20.99,;41.16,-21.76,;39.85,-20.99,;32.84,-13.8,;32.13,-12.46,;31.27,-13.8,;30.49,-12.44,;28.92,-12.44,;28.13,-11.08,;26.56,-11.08,;25.78,-9.73,;24.21,-9.73,;23.43,-8.37,;23.43,-11.08,;22.63,-9.71,)| Show InChI InChI=1S/C26H44N2O3.2BrH/c1-27(2,3)16-10-5-6-11-17-28(4)22-14-15-23(28)19-24(18-22)31-26(30)25(20-29)21-12-8-7-9-13-21;;/h7-9,12-13,22-25,29H,5-6,10-11,14-20H2,1-4H3;2*1H/q+2;;/p-2/t22-,23-,24-,25?,28?;;/m1../s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 55 | 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 | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50497838
(CHEMBL3323279)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)C |r,wD:9.9,3.0,6.4,TLB:25:23:9.10.8:4.5,11:9:23:4.5,(37.24,-11.04,;32.43,-8.67,;34.06,-16.83,;33.99,-14.97,;32.61,-15.71,;32.31,-17.23,;33.35,-16.49,;33.95,-18.26,;34.83,-16.43,;35.88,-17.19,;35.49,-15.65,;35.88,-18.74,;37.2,-19.47,;37.2,-20.99,;38.51,-18.71,;38.51,-17.19,;39.85,-16.45,;39.85,-19.47,;41.16,-18.71,;42.48,-19.47,;42.48,-20.99,;41.16,-21.76,;39.85,-20.99,;32.84,-13.8,;32.13,-12.46,;31.27,-13.8,;30.49,-12.44,;28.92,-12.44,;28.13,-11.08,;26.56,-11.08,;25.78,-9.73,;24.21,-9.73,;23.43,-8.37,;23.43,-11.08,;22.63,-9.71,)| Show InChI InChI=1S/C26H44N2O3.2BrH/c1-27(2,3)16-10-5-6-11-17-28(4)22-14-15-23(28)19-24(18-22)31-26(30)25(20-29)21-12-8-7-9-13-21;;/h7-9,12-13,22-25,29H,5-6,10-11,14-20H2,1-4H3;2*1H/q+2;;/p-2/t22-,23-,24-,25?,28?;;/m1../s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 151 | 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 | |
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