Found 8 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M2' and Ligand = 'BDBM50538313' 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)) | BDBM50538313
(CHEMBL4644612)Show SMILES OC(=O)C(F)(F)F.CC1(C)\C(=C/C=C/C=C/C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)cn2)c2ccc(cc12)S(O)(=O)=O |c:15| Show InChI InChI=1S/C67H83N9O10S2/c1-66(2)53-23-11-14-26-57(53)74(41-19-20-44-87(81,82)83)60(66)28-7-5-8-29-61-67(3,4)54-45-51(88(84,85)86)32-33-58(54)75(61)40-17-6-9-30-62(77)68-37-38-69-63(78)34-31-50-46-73(48-70-50)39-18-16-21-49-35-42-72(43-36-49)47-64(79)76-56-25-13-10-22-52(56)65(80)71-55-24-12-15-27-59(55)76/h5,7-8,10-15,22-29,32-33,45-46,48-49H,6,9,16-21,30-31,34-44,47H2,1-4H3,(H4-,68,69,71,77,78,80,81,82,83,84,85,86) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description Displacement of [3H]-NMS from human muscarinic M2 receptor stably expressed in CHO-K9 cells by radioligand competitive binding assay |
J Med Chem 63: 4133-4154 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02172 BindingDB Entry DOI: 10.7270/Q2R214WT |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50538313
(CHEMBL4644612)Show SMILES OC(=O)C(F)(F)F.CC1(C)\C(=C/C=C/C=C/C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)cn2)c2ccc(cc12)S(O)(=O)=O |c:15| Show InChI InChI=1S/C67H83N9O10S2/c1-66(2)53-23-11-14-26-57(53)74(41-19-20-44-87(81,82)83)60(66)28-7-5-8-29-61-67(3,4)54-45-51(88(84,85)86)32-33-58(54)75(61)40-17-6-9-30-62(77)68-37-38-69-63(78)34-31-50-46-73(48-70-50)39-18-16-21-49-35-42-72(43-36-49)47-64(79)76-56-25-13-10-22-52(56)65(80)71-55-24-12-15-27-59(55)76/h5,7-8,10-15,22-29,32-33,45-46,48-49H,6,9,16-21,30-31,34-44,47H2,1-4H3,(H4-,68,69,71,77,78,80,81,82,83,84,85,86) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description Antagonist activity at human muscarinic M2 receptor expressed in HEK293 cells co-expressing HA-Galphaq/i5 assessed as inhibition of carbachol-induced... |
J Med Chem 63: 4133-4154 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02172 BindingDB Entry DOI: 10.7270/Q2R214WT |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50538313
(CHEMBL4644612)Show SMILES OC(=O)C(F)(F)F.CC1(C)\C(=C/C=C/C=C/C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)cn2)c2ccc(cc12)S(O)(=O)=O |c:15| Show InChI InChI=1S/C67H83N9O10S2/c1-66(2)53-23-11-14-26-57(53)74(41-19-20-44-87(81,82)83)60(66)28-7-5-8-29-61-67(3,4)54-45-51(88(84,85)86)32-33-58(54)75(61)40-17-6-9-30-62(77)68-37-38-69-63(78)34-31-50-46-73(48-70-50)39-18-16-21-49-35-42-72(43-36-49)47-64(79)76-56-25-13-10-22-52(56)65(80)71-55-24-12-15-27-59(55)76/h5,7-8,10-15,22-29,32-33,45-46,48-49H,6,9,16-21,30-31,34-44,47H2,1-4H3,(H4-,68,69,71,77,78,80,81,82,83,84,85,86) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 355 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description Antagonist activity at human muscarinic M2 receptor expressed in HEK293 cells co-expressing HA-Galphaq/i5 assessed as inhibition of carbachol-induced... |
J Med Chem 63: 4133-4154 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02172 BindingDB Entry DOI: 10.7270/Q2R214WT |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50538313
(CHEMBL4644612)Show SMILES OC(=O)C(F)(F)F.CC1(C)\C(=C/C=C/C=C/C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)cn2)c2ccc(cc12)S(O)(=O)=O |c:15| Show InChI InChI=1S/C67H83N9O10S2/c1-66(2)53-23-11-14-26-57(53)74(41-19-20-44-87(81,82)83)60(66)28-7-5-8-29-61-67(3,4)54-45-51(88(84,85)86)32-33-58(54)75(61)40-17-6-9-30-62(77)68-37-38-69-63(78)34-31-50-46-73(48-70-50)39-18-16-21-49-35-42-72(43-36-49)47-64(79)76-56-25-13-10-22-52(56)65(80)71-55-24-12-15-27-59(55)76/h5,7-8,10-15,22-29,32-33,45-46,48-49H,6,9,16-21,30-31,34-44,47H2,1-4H3,(H4-,68,69,71,77,78,80,81,82,83,84,85,86) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 4.10 | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description Binding affinity to human muscarinic M2 receptor expressed in CHO-K9 cells incubated in dark at 22 degree C for 2 hrs by FACSCalibur flow cytometric ... |
J Med Chem 63: 4133-4154 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02172 BindingDB Entry DOI: 10.7270/Q2R214WT |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50538313
(CHEMBL4644612)Show SMILES OC(=O)C(F)(F)F.CC1(C)\C(=C/C=C/C=C/C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)cn2)c2ccc(cc12)S(O)(=O)=O |c:15| Show InChI InChI=1S/C67H83N9O10S2/c1-66(2)53-23-11-14-26-57(53)74(41-19-20-44-87(81,82)83)60(66)28-7-5-8-29-61-67(3,4)54-45-51(88(84,85)86)32-33-58(54)75(61)40-17-6-9-30-62(77)68-37-38-69-63(78)34-31-50-46-73(48-70-50)39-18-16-21-49-35-42-72(43-36-49)47-64(79)76-56-25-13-10-22-52(56)65(80)71-55-24-12-15-27-59(55)76/h5,7-8,10-15,22-29,32-33,45-46,48-49H,6,9,16-21,30-31,34-44,47H2,1-4H3,(H4-,68,69,71,77,78,80,81,82,83,84,85,86) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description Binding affinity to human muscarinic M2 receptor expressed in CHO-K9 cells at 22 +/- 1 degree C preincubated for 120 mins followed by atropine additi... |
J Med Chem 63: 4133-4154 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02172 BindingDB Entry DOI: 10.7270/Q2R214WT |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50538313
(CHEMBL4644612)Show SMILES OC(=O)C(F)(F)F.CC1(C)\C(=C/C=C/C=C/C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)cn2)c2ccc(cc12)S(O)(=O)=O |c:15| Show InChI InChI=1S/C67H83N9O10S2/c1-66(2)53-23-11-14-26-57(53)74(41-19-20-44-87(81,82)83)60(66)28-7-5-8-29-61-67(3,4)54-45-51(88(84,85)86)32-33-58(54)75(61)40-17-6-9-30-62(77)68-37-38-69-63(78)34-31-50-46-73(48-70-50)39-18-16-21-49-35-42-72(43-36-49)47-64(79)76-56-25-13-10-22-52(56)65(80)71-55-24-12-15-27-59(55)76/h5,7-8,10-15,22-29,32-33,45-46,48-49H,6,9,16-21,30-31,34-44,47H2,1-4H3,(H4-,68,69,71,77,78,80,81,82,83,84,85,86) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description Binding affinity to human muscarinic M2 receptor expressed in CHO-K9 cells incubated in dark measured after 60 mins by Hoechst H33342 dye based confo... |
J Med Chem 63: 4133-4154 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02172 BindingDB Entry DOI: 10.7270/Q2R214WT |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50538313
(CHEMBL4644612)Show SMILES OC(=O)C(F)(F)F.CC1(C)\C(=C/C=C/C=C/C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)cn2)c2ccc(cc12)S(O)(=O)=O |c:15| Show InChI InChI=1S/C67H83N9O10S2/c1-66(2)53-23-11-14-26-57(53)74(41-19-20-44-87(81,82)83)60(66)28-7-5-8-29-61-67(3,4)54-45-51(88(84,85)86)32-33-58(54)75(61)40-17-6-9-30-62(77)68-37-38-69-63(78)34-31-50-46-73(48-70-50)39-18-16-21-49-35-42-72(43-36-49)47-64(79)76-56-25-13-10-22-52(56)65(80)71-55-24-12-15-27-59(55)76/h5,7-8,10-15,22-29,32-33,45-46,48-49H,6,9,16-21,30-31,34-44,47H2,1-4H3,(H4-,68,69,71,77,78,80,81,82,83,84,85,86) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 11.5 | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description Binding affinity to human muscarinic M2 receptor expressed in CHO-K9 cells incubated in dark measured after 60 mins by Hoechst H33342 dye based confo... |
J Med Chem 63: 4133-4154 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02172 BindingDB Entry DOI: 10.7270/Q2R214WT |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50538313
(CHEMBL4644612)Show SMILES OC(=O)C(F)(F)F.CC1(C)\C(=C/C=C/C=C/C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)cn2)c2ccc(cc12)S(O)(=O)=O |c:15| Show InChI InChI=1S/C67H83N9O10S2/c1-66(2)53-23-11-14-26-57(53)74(41-19-20-44-87(81,82)83)60(66)28-7-5-8-29-61-67(3,4)54-45-51(88(84,85)86)32-33-58(54)75(61)40-17-6-9-30-62(77)68-37-38-69-63(78)34-31-50-46-73(48-70-50)39-18-16-21-49-35-42-72(43-36-49)47-64(79)76-56-25-13-10-22-52(56)65(80)71-55-24-12-15-27-59(55)76/h5,7-8,10-15,22-29,32-33,45-46,48-49H,6,9,16-21,30-31,34-44,47H2,1-4H3,(H4-,68,69,71,77,78,80,81,82,83,84,85,86) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description Binding affinity to human muscarinic M2 receptor expressed in CHO-K9 cells incubated in dark at 22 degree C for 2 hrs by FACSCalibur flow cytometric ... |
J Med Chem 63: 4133-4154 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02172 BindingDB Entry DOI: 10.7270/Q2R214WT |
More data for this Ligand-Target Pair | |