Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50045175   

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 M4 (Homo sapiens (Human))	BDBM50048353 (Cevimeline) Show SMILES CC1OC2(CS1)CN1CCC2CC1 |(11.51,-9.9,;10.03,-10.68,;8.8,-9.77,;7.54,-10.66,;8.03,-12.15,;9.52,-12.15,;7.54,-9.08,;6.2,-8.31,;5.66,-9.6,;6.74,-10.26,;6.2,-11.43,;4.88,-10.66,;4.88,-9.13,)| Show InChI InChI=1S/C10H17NOS/c1-8-12-10(7-13-8)6-11-4-2-9(10)3-5-11/h8-9H,2-7H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human muscarinic M4 receptor transfected in CHO cells after 120 mins by scintillation counting analysis				Bioorg Med Chem Lett 24: 3255-9 (2014) Article DOI: 10.1016/j.bmcl.2014.06.020 BindingDB Entry DOI: 10.7270/Q2WW7KBT
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50004656 ((2-Carbamoyloxy-ethyl)-trimethyl-ammonium | (2-Car...) Show SMILES C[N+](C)(C)CCOC(N)=O Show InChI InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	6.31E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human muscarinic M4 receptor transfected in CHO cells after 120 mins by scintillation counting analysis				Bioorg Med Chem Lett 24: 3255-9 (2014) Article DOI: 10.1016/j.bmcl.2014.06.020 BindingDB Entry DOI: 10.7270/Q2WW7KBT
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM73209 ((+)-CIS-DIOXOLANE | CHEMBL105457 | MLS000069362 | ...) Show SMILES C[C@H]1OC[C@@H](C[N+](C)(C)C)O1 Show InChI InChI=1S/C8H18NO2/c1-7-10-6-8(11-7)5-9(2,3)4/h7-8H,5-6H2,1-4H3/q+1/t7-,8+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.91E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human muscarinic M4 receptor transfected in CHO cells after 120 mins by scintillation counting analysis				Bioorg Med Chem Lett 24: 3255-9 (2014) Article DOI: 10.1016/j.bmcl.2014.06.020 BindingDB Entry DOI: 10.7270/Q2WW7KBT
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50006584 ((McN-A-343) [4-(3-Chloro-phenylcarbamoyloxy)-but-2...) Show SMILES C[N+](C)(C)CC#CCOC(=O)Nc1cccc(Cl)c1 Show InChI InChI=1S/C14H17ClN2O2/c1-17(2,3)9-4-5-10-19-14(18)16-13-8-6-7-12(15)11-13/h6-8,11H,9-10H2,1-3H3/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human muscarinic M4 receptor transfected in CHO cells after 120 mins by scintillation counting analysis				Bioorg Med Chem Lett 24: 3255-9 (2014) Article DOI: 10.1016/j.bmcl.2014.06.020 BindingDB Entry DOI: 10.7270/Q2WW7KBT
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50385682 (CHEMBL390842) Show SMILES C[C@H]1COC[C@@H](C[N+](C)(C)C)O1 |r| Show InChI InChI=1S/C9H20NO2/c1-8-6-11-7-9(12-8)5-10(2,3)4/h8-9H,5-7H2,1-4H3/q+1/t8-,9+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.15E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human muscarinic M4 receptor transfected in CHO cells after 120 mins by scintillation counting analysis				Bioorg Med Chem Lett 24: 3255-9 (2014) Article DOI: 10.1016/j.bmcl.2014.06.020 BindingDB Entry DOI: 10.7270/Q2WW7KBT
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50048352 (CHEMBL3309718) Show SMILES [I-].C[N+](C)(C)C[C@@H]1COCCO1 |r| Show InChI InChI=1S/C8H18NO2/c1-9(2,3)6-8-7-10-4-5-11-8/h8H,4-7H2,1-3H3/q+1/t8-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.09E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human muscarinic M4 receptor transfected in CHO cells after 120 mins by scintillation counting analysis				Bioorg Med Chem Lett 24: 3255-9 (2014) Article DOI: 10.1016/j.bmcl.2014.06.020 BindingDB Entry DOI: 10.7270/Q2WW7KBT
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50048351 (CHEMBL3359597) Show SMILES [I-].C[C@@H]1OCCO[C@@H]1C[N+](C)(C)C |r| Show InChI InChI=1S/C9H20NO2/c1-8-9(7-10(2,3)4)12-6-5-11-8/h8-9H,5-7H2,1-4H3/q+1/t8-,9+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	<1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human muscarinic M4 receptor transfected in CHO cells after 120 mins by scintillation counting analysis				Bioorg Med Chem Lett 24: 3255-9 (2014) Article DOI: 10.1016/j.bmcl.2014.06.020 BindingDB Entry DOI: 10.7270/Q2WW7KBT
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50048349 (CHEMBL3309717) Show SMILES [I-].C[C@H]1OCCO[C@@H]1C[N+](C)(C)C |r| Show InChI InChI=1S/C9H20NO2/c1-8-9(7-10(2,3)4)12-6-5-11-8/h8-9H,5-7H2,1-4H3/q+1/t8-,9-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	<1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human muscarinic M4 receptor transfected in CHO cells after 120 mins by scintillation counting analysis				Bioorg Med Chem Lett 24: 3255-9 (2014) Article DOI: 10.1016/j.bmcl.2014.06.020 BindingDB Entry DOI: 10.7270/Q2WW7KBT
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50048350 (CHEMBL3309715) Show SMILES [I-].C[C@@]1(C[N+](C)(C)C)COCCO1 |r| Show InChI InChI=1S/C9H20NO2/c1-9(7-10(2,3)4)8-11-5-6-12-9/h5-8H2,1-4H3/q+1/t9-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	<1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human muscarinic M4 receptor transfected in CHO cells after 120 mins by scintillation counting analysis				Bioorg Med Chem Lett 24: 3255-9 (2014) Article DOI: 10.1016/j.bmcl.2014.06.020 BindingDB Entry DOI: 10.7270/Q2WW7KBT
					More data for this Ligand-Target Pair