Found 2 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M1' and Ligand = 'BDBM50538314' 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
(Homo sapiens (Human)) | BDBM50538314
(CHEMBL4636899)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.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)NCc2cc(cc(c2)C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)cn2)C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)cn2)c2ccc(cc12)S(O)(=O)=O |c:27| Show InChI InChI=1S/C108H129N17O15S2/c1-107(2)86-31-12-17-36-92(86)122(59-25-26-64-141(135,136)137)96(107)39-7-5-8-40-97-108(3,4)87-68-83(142(138,139)140)44-45-93(87)123(97)58-22-6-9-41-98(126)113-69-78-65-79(103(131)111-54-52-109-99(127)46-42-81-70-120(74-114-81)56-23-20-27-76-48-60-118(61-49-76)72-101(129)124-90-34-15-10-29-84(90)105(133)116-88-32-13-18-37-94(88)124)67-80(66-78)104(132)112-55-53-110-100(128)47-43-82-71-121(75-115-82)57-24-21-28-77-50-62-119(63-51-77)73-102(130)125-91-35-16-11-30-85(91)106(134)117-89-33-14-19-38-95(89)125/h5,7-8,10-19,29-40,44-45,65-68,70-71,74-77H,6,9,20-28,41-43,46-64,69,72-73H2,1-4H3,(H8-,109,110,111,112,113,116,117,126,127,128,131,132,133,134,135,136,137,138,139,140) | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 2.30 | 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 M1 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 M1
(Homo sapiens (Human)) | BDBM50538314
(CHEMBL4636899)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.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)NCc2cc(cc(c2)C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)cn2)C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)cn2)c2ccc(cc12)S(O)(=O)=O |c:27| Show InChI InChI=1S/C108H129N17O15S2/c1-107(2)86-31-12-17-36-92(86)122(59-25-26-64-141(135,136)137)96(107)39-7-5-8-40-97-108(3,4)87-68-83(142(138,139)140)44-45-93(87)123(97)58-22-6-9-41-98(126)113-69-78-65-79(103(131)111-54-52-109-99(127)46-42-81-70-120(74-114-81)56-23-20-27-76-48-60-118(61-49-76)72-101(129)124-90-34-15-10-29-84(90)105(133)116-88-32-13-18-37-94(88)124)67-80(66-78)104(132)112-55-53-110-100(128)47-43-82-71-121(75-115-82)57-24-21-28-77-50-62-119(63-51-77)73-102(130)125-91-35-16-11-30-85(91)106(134)117-89-33-14-19-38-95(89)125/h5,7-8,10-19,29-40,44-45,65-68,70-71,74-77H,6,9,20-28,41-43,46-64,69,72-73H2,1-4H3,(H8-,109,110,111,112,113,116,117,126,127,128,131,132,133,134,135,136,137,138,139,140) | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description Binding affinity to human muscarinic M1 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 | |