Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M1' 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 M1 (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)	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 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))	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)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	26	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