Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for assayid = 8 entry = 50000177   

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))	BDBM10759 (2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...) Show SMILES CC(=O)OCC[N+](C)(C)C Show InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Displacement of [3H]N-methyl-scopolamine from human recombinant muscarinic M2 receptor expressed in CHO-FlpIn cells after 6 hrs by liquid scintillati...				J Med Chem 60: 9239-9250 (2017) Article DOI: 10.1021/acs.jmedchem.7b01113 BindingDB Entry DOI: 10.7270/Q2445PW2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM10759 (2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...) Show SMILES CC(=O)OCC[N+](C)(C)C Show InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Displacement of [3H]N-methyl-scopolamine from human recombinant muscarinic M2 receptor expressed in CHO-FlpIn cells after 6 hrs by liquid scintillati...				J Med Chem 60: 9239-9250 (2017) Article DOI: 10.1021/acs.jmedchem.7b01113 BindingDB Entry DOI: 10.7270/Q2445PW2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50246726 (CHEMBL4060823) Show SMILES [O-]C=O.C[N+](C)(C)CCc1ccc2CCOc2c1 Show InChI InChI=1S/C13H20NO/c1-14(2,3)8-6-11-4-5-12-7-9-15-13(12)10-11/h4-5,10H,6-9H2,1-3H3/q+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Displacement of [3H]N-methyl-scopolamine from human recombinant muscarinic M2 receptor expressed in CHO-FlpIn cells after 6 hrs by liquid scintillati...				J Med Chem 60: 9239-9250 (2017) Article DOI: 10.1021/acs.jmedchem.7b01113 BindingDB Entry DOI: 10.7270/Q2445PW2
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50246726 (CHEMBL4060823) Show SMILES [O-]C=O.C[N+](C)(C)CCc1ccc2CCOc2c1 Show InChI InChI=1S/C13H20NO/c1-14(2,3)8-6-11-4-5-12-7-9-15-13(12)10-11/h4-5,10H,6-9H2,1-3H3/q+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	2.04E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Displacement of [3H]N-methyl-scopolamine from human recombinant muscarinic M2 receptor expressed in CHO-FlpIn cells after 6 hrs by liquid scintillati...				J Med Chem 60: 9239-9250 (2017) Article DOI: 10.1021/acs.jmedchem.7b01113 BindingDB Entry DOI: 10.7270/Q2445PW2
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50246711 (CHEMBL4091934) Show SMILES [O-]C=O.COc1cccc(CC[N+](C)(C)C)c1 Show InChI InChI=1S/C162H248N44O41/c1-80(2)60-107(183-121(214)75-176-134(220)88(17)180-141(227)108(61-81(3)4)189-139(225)104(50-36-56-172-161(168)246)185-144(230)112(68-99-72-170-79-179-99)193-157(243)131(91(20)210)203-155(241)128(86(13)14)199-147(233)111(182-92(21)211)67-98-71-174-101-47-31-30-46-100(98)101)142(228)190-109(62-82(5)6)143(229)196-116(78-208)149(235)186-105(51-37-57-173-162(169)247)140(226)195-115(77-207)136(222)177-73-120(213)175-74-122(215)197-126(84(9)10)154(240)200-127(85(11)12)153(239)187-103(49-33-35-55-171-160(166)167)137(223)184-102(48-32-34-54-163)138(224)192-113(69-119(164)212)145(231)191-110(64-94-42-26-23-27-43-94)146(232)201-129(87(15)16)159(245)206-59-39-53-118(206)151(237)202-130(90(19)209)156(242)194-114(70-124(217)218)148(234)198-125(83(7)8)152(238)178-76-123(216)205-58-38-52-117(205)150(236)204-132(97-65-95-44-28-29-45-96(95)66-97)158(244)181-89(18)135(221)188-106(133(165)219)63-93-40-24-22-25-41-93/h22-31,40-47,71-72,79-91,97,102-118,125-132,174,207-210H,32-39,48-70,73-78,163H2,1-21H3,(H2,164,212)(H2,165,219)(H,170,179)(H,175,213)(H,176,220)(H,177,222)(H,178,238)(H,180,227)(H,181,244)(H,182,211)(H,183,214)(H,184,223)(H,185,230)(H,186,235)(H,187,239)(H,188,221)(H,189,225)(H,190,228)(H,191,231)(H,192,224)(H,193,243)(H,194,242)(H,195,226)(H,196,229)(H,197,215)(H,198,234)(H,199,233)(H,200,240)(H,201,232)(H,202,237)(H,203,241)(H,204,236)(H,217,218)(H4,166,167,171)(H3,168,172,246)(H3,169,173,247)/t88-,89-,90+,91+,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,125-,126-,127-,128-,129-,130-,131-,132?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Displacement of [3H]N-methyl-scopolamine from human recombinant muscarinic M2 receptor expressed in CHO-FlpIn cells after 6 hrs by liquid scintillati...				J Med Chem 60: 9239-9250 (2017) Article DOI: 10.1021/acs.jmedchem.7b01113 BindingDB Entry DOI: 10.7270/Q2445PW2
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50246711 (CHEMBL4091934) Show SMILES [O-]C=O.COc1cccc(CC[N+](C)(C)C)c1 Show InChI InChI=1S/C162H248N44O41/c1-80(2)60-107(183-121(214)75-176-134(220)88(17)180-141(227)108(61-81(3)4)189-139(225)104(50-36-56-172-161(168)246)185-144(230)112(68-99-72-170-79-179-99)193-157(243)131(91(20)210)203-155(241)128(86(13)14)199-147(233)111(182-92(21)211)67-98-71-174-101-47-31-30-46-100(98)101)142(228)190-109(62-82(5)6)143(229)196-116(78-208)149(235)186-105(51-37-57-173-162(169)247)140(226)195-115(77-207)136(222)177-73-120(213)175-74-122(215)197-126(84(9)10)154(240)200-127(85(11)12)153(239)187-103(49-33-35-55-171-160(166)167)137(223)184-102(48-32-34-54-163)138(224)192-113(69-119(164)212)145(231)191-110(64-94-42-26-23-27-43-94)146(232)201-129(87(15)16)159(245)206-59-39-53-118(206)151(237)202-130(90(19)209)156(242)194-114(70-124(217)218)148(234)198-125(83(7)8)152(238)178-76-123(216)205-58-38-52-117(205)150(236)204-132(97-65-95-44-28-29-45-96(95)66-97)158(244)181-89(18)135(221)188-106(133(165)219)63-93-40-24-22-25-41-93/h22-31,40-47,71-72,79-91,97,102-118,125-132,174,207-210H,32-39,48-70,73-78,163H2,1-21H3,(H2,164,212)(H2,165,219)(H,170,179)(H,175,213)(H,176,220)(H,177,222)(H,178,238)(H,180,227)(H,181,244)(H,182,211)(H,183,214)(H,184,223)(H,185,230)(H,186,235)(H,187,239)(H,188,221)(H,189,225)(H,190,228)(H,191,231)(H,192,224)(H,193,243)(H,194,242)(H,195,226)(H,196,229)(H,197,215)(H,198,234)(H,199,233)(H,200,240)(H,201,232)(H,202,237)(H,203,241)(H,204,236)(H,217,218)(H4,166,167,171)(H3,168,172,246)(H3,169,173,247)/t88-,89-,90+,91+,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,125-,126-,127-,128-,129-,130-,131-,132?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9.12E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Displacement of [3H]N-methyl-scopolamine from human recombinant muscarinic M2 receptor expressed in CHO-FlpIn cells after 6 hrs by liquid scintillati...				J Med Chem 60: 9239-9250 (2017) Article DOI: 10.1021/acs.jmedchem.7b01113 BindingDB Entry DOI: 10.7270/Q2445PW2
					More data for this Ligand-Target Pair