Compile Data Set for Download or QSAR

Found 38 hits with Last Name = 'holze' and Initial = 'j'   

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))	BDBM50008072 ((+)-pilocarpine | (3S,4R)-3-ethyl-4-[(1-methyl-1H-...) Show SMILES CC[C@H]1[C@@H](Cc2cncn2C)COC1=O |r| Show InChI InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	7.94E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Binding affinity to muscarinic M1 acetylcholine receptor (unknown origin)				J Med Chem 58: 560-76 (2015) Article DOI: 10.1021/jm500860w BindingDB Entry DOI: 10.7270/Q2125VCS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (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	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Binding affinity to muscarinic M1 acetylcholine receptor (unknown origin)				J Med Chem 58: 560-76 (2015) Article DOI: 10.1021/jm500860w BindingDB Entry DOI: 10.7270/Q2125VCS
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM31064 (4-(2-furanyl)-2-methylsulfonyl-6-(trifluoromethyl)...) Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccco1 Show InChI InChI=1S/C10H7F3N2O3S/c1-19(16,17)9-14-6(7-3-2-4-18-7)5-8(15-9)10(11,12)13/h2-5H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Negative modulator activity at human TLR8 expressed in HEK-Blue hTLR8 cells assessed as inhibition of TL8-506 stimulated NF-kappaB activation preincu...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113809 BindingDB Entry DOI: 10.7270/Q2J67MRM
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50574120 (CHEMBL4849835) Show SMILES OCc1ccc(CNc2nc(cc(n2)C(F)(F)F)-c2ccco2)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Negative modulator activity at human TLR8 expressed in HEK-Blue hTLR8 cells assessed as inhibition of TL8-506 stimulated NF-kappaB activation preincu...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113809 BindingDB Entry DOI: 10.7270/Q2J67MRM
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50574122 (CHEMBL4870804) Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)C1CCCCC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Negative modulator activity at human TLR8 expressed in HEK-Blue hTLR8 cells assessed as inhibition of TL8-506 stimulated NF-kappaB activation preincu...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113809 BindingDB Entry DOI: 10.7270/Q2J67MRM
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50574119 (CHEMBL4873870) Show SMILES Oc1ccc(CNc2nc(cc(n2)C(F)(F)F)-c2ccco2)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Negative modulator activity at human TLR8 expressed in HEK-Blue hTLR8 cells assessed as inhibition of TL8-506 stimulated NF-kappaB activation preincu...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113809 BindingDB Entry DOI: 10.7270/Q2J67MRM
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50574121 (CHEMBL4876175) Show SMILES Oc1cccc(CNc2nc(cc(n2)C(F)(F)F)C2CCCCC2)c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Negative modulator activity at human TLR8 expressed in HEK-Blue hTLR8 cells assessed as inhibition of TL8-506 stimulated NF-kappaB activation preincu...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113809 BindingDB Entry DOI: 10.7270/Q2J67MRM
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50574118 (CHEMBL4878029) Show SMILES Oc1cccc(CNc2nc(cc(n2)C(F)(F)F)-c2ccco2)c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Negative modulator activity at human TLR8 expressed in HEK-Blue hTLR8 cells assessed as inhibition of TL8-506 stimulated NF-kappaB activation preincu...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113809 BindingDB Entry DOI: 10.7270/Q2J67MRM
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50574115 (CHEMBL4857884) Show SMILES FC(F)(F)c1cc(nc(Nc2ccccc2)n1)-c1ccco1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Negative modulator activity at human TLR8 expressed in HEK-Blue hTLR8 cells assessed as inhibition of TL8-506 stimulated NF-kappaB activation preincu...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113809 BindingDB Entry DOI: 10.7270/Q2J67MRM
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50574116 (CHEMBL1453519) Show SMILES FC(F)(F)c1cc(nc(NCCc2ccccc2)n1)-c1ccco1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Negative modulator activity at human TLR8 expressed in HEK-Blue hTLR8 cells assessed as inhibition of TL8-506 stimulated NF-kappaB activation preincu...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113809 BindingDB Entry DOI: 10.7270/Q2J67MRM
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50574117 (CHEMBL1610430) Show SMILES FC(F)(F)c1cc(nc(NCc2ccccc2)n1)-c1ccco1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Negative modulator activity at human TLR8 expressed in HEK-Blue hTLR8 cells assessed as inhibition of TL8-506 stimulated NF-kappaB activation preincu...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113809 BindingDB Entry DOI: 10.7270/Q2J67MRM
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50075195 (CHEMBL3414847) Show SMILES CC[C@@H]1SC2(CCNCC2)N(CCCCCCCCOc2ccc3cc(Cn4cc(C(O)=O)c(=O)c5cccc(F)c45)ccc3c2)C1=O |r| Show InChI InChI=1S/C38H44FN3O5S/c1-2-33-36(44)42(38(48-33)16-18-40-19-17-38)20-7-5-3-4-6-8-21-47-29-15-14-27-22-26(12-13-28(27)23-29)24-41-25-31(37(45)46)35(43)30-10-9-11-32(39)34(30)41/h9-15,22-23,25,33,40H,2-8,16-21,24H2,1H3,(H,45,46)/t33-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	60	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Partial agonist activity at human muscarinic M1 acetylcholine receptor expressed in CHO cells assessed as increase in IP1 accumulation incubated for ...				J Med Chem 58: 560-76 (2015) Article DOI: 10.1021/jm500860w BindingDB Entry DOI: 10.7270/Q2125VCS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50075195 (CHEMBL3414847) Show SMILES CC[C@@H]1SC2(CCNCC2)N(CCCCCCCCOc2ccc3cc(Cn4cc(C(O)=O)c(=O)c5cccc(F)c45)ccc3c2)C1=O |r| Show InChI InChI=1S/C38H44FN3O5S/c1-2-33-36(44)42(38(48-33)16-18-40-19-17-38)20-7-5-3-4-6-8-21-47-29-15-14-27-22-26(12-13-28(27)23-29)24-41-25-31(37(45)46)35(43)30-10-9-11-32(39)34(30)41/h9-15,22-23,25,33,40H,2-8,16-21,24H2,1H3,(H,45,46)/t33-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	166	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human muscarinic M1 acetylcholine receptor expressed in CHO cell membranes by radioligand binding assay				J Med Chem 58: 560-76 (2015) Article DOI: 10.1021/jm500860w BindingDB Entry DOI: 10.7270/Q2125VCS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50313638 (1-(4-methoxybenzyl)-4-oxo-1,4-dihydroquinoline-3-c...) Show SMILES COc1ccc(Cn2cc(C(O)=O)c(=O)c3ccccc23)cc1 Show InChI InChI=1S/C18H15NO4/c1-23-13-8-6-12(7-9-13)10-19-11-15(18(21)22)17(20)14-4-2-3-5-16(14)19/h2-9,11H,10H2,1H3,(H,21,22)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	8.32E+3	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Partial agonist activity at human muscarinic M1 acetylcholine receptor expressed in CHO cells assessed as increase in IP1 accumulation incubated for ...				J Med Chem 58: 560-76 (2015) Article DOI: 10.1021/jm500860w BindingDB Entry DOI: 10.7270/Q2125VCS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (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	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	1.74E+4	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human muscarinic M1 acetylcholine receptor expressed in CHO cell membranes by radioligand binding assay				J Med Chem 58: 560-76 (2015) Article DOI: 10.1021/jm500860w BindingDB Entry DOI: 10.7270/Q2125VCS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50448377 (CHEMBL3121473) Show SMILES C[N+](C)(C)CC#CCOC1=NOCC1 |t:9| Show InChI InChI=1S/C10H17N2O2/c1-12(2,3)7-4-5-8-13-10-6-9-14-11-10/h6-9H2,1-3H3/q+1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	2.14E+3	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human muscarinic M1 acetylcholine receptor expressed in CHO cell membranes by radioligand binding assay				J Med Chem 58: 560-76 (2015) Article DOI: 10.1021/jm500860w BindingDB Entry DOI: 10.7270/Q2125VCS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50008072 ((+)-pilocarpine | (3S,4R)-3-ethyl-4-[(1-methyl-1H-...) Show SMILES CC[C@H]1[C@@H](Cc2cncn2C)COC1=O |r| Show InChI InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	2.69E+3	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human muscarinic M1 acetylcholine receptor expressed in CHO cell membranes by radioligand binding assay				J Med Chem 58: 560-76 (2015) Article DOI: 10.1021/jm500860w BindingDB Entry DOI: 10.7270/Q2125VCS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50075196 (CHEMBL3414838) Show SMILES [Br-].C[N+](C)(CCCCNC(=O)c1cn(Cc2ccccc2)c2c(F)cccc2c1=O)CC#CCOC1=NOCC1 |t:37| Show InChI InChI=1S/C30H33FN4O4/c1-35(2,18-8-9-19-38-27-15-20-39-33-27)17-7-6-16-32-30(37)25-22-34(21-23-11-4-3-5-12-23)28-24(29(25)36)13-10-14-26(28)31/h3-5,10-14,22H,6-7,15-21H2,1-2H3/p+1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	151	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human muscarinic M1 acetylcholine receptor expressed in CHO cell membranes by radioligand binding assay				J Med Chem 58: 560-76 (2015) Article DOI: 10.1021/jm500860w BindingDB Entry DOI: 10.7270/Q2125VCS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50075197 (CHEMBL3414839) Show SMILES [Br-].C[N+](C)(CCCCNC(=O)c1cn(Cc2ccccc2)c2cc(Br)ccc2c1=O)CC#CCOC1=NOCC1 |t:37| Show InChI InChI=1S/C30H33BrN4O4/c1-35(2,17-8-9-18-38-28-14-19-39-33-28)16-7-6-15-32-30(37)26-22-34(21-23-10-4-3-5-11-23)27-20-24(31)12-13-25(27)29(26)36/h3-5,10-13,20,22H,6-7,14-19,21H2,1-2H3/p+1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	141	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human muscarinic M1 acetylcholine receptor expressed in CHO cell membranes by radioligand binding assay				J Med Chem 58: 560-76 (2015) Article DOI: 10.1021/jm500860w BindingDB Entry DOI: 10.7270/Q2125VCS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50075198 (CHEMBL3414840) Show SMILES [Br-].C[N+](C)(CCCCNC(=O)c1cn(Cc2ccccc2)c2cc(Cl)c(F)cc2c1=O)CC#CCOC1=NOCC1 |t:38| Show InChI InChI=1S/C30H32ClFN4O4/c1-36(2,15-8-9-16-39-28-12-17-40-34-28)14-7-6-13-33-30(38)24-21-35(20-22-10-4-3-5-11-22)27-19-25(31)26(32)18-23(27)29(24)37/h3-5,10-11,18-19,21H,6-7,12-17,20H2,1-2H3/p+1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human muscarinic M1 acetylcholine receptor expressed in CHO cell membranes by radioligand binding assay				J Med Chem 58: 560-76 (2015) Article DOI: 10.1021/jm500860w BindingDB Entry DOI: 10.7270/Q2125VCS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50075199 (CHEMBL3414841) Show SMILES [Br-].C[N+](C)(CCCCCCNC(=O)c1cn(Cc2ccccc2)c2c(F)cccc2c1=O)CC#CCOC1=NOCC1 |t:39| Show InChI InChI=1S/C32H37FN4O4/c1-37(2,20-10-11-21-40-29-17-22-41-35-29)19-9-4-3-8-18-34-32(39)27-24-36(23-25-13-6-5-7-14-25)30-26(31(27)38)15-12-16-28(30)33/h5-7,12-16,24H,3-4,8-9,17-23H2,1-2H3/p+1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human muscarinic M1 acetylcholine receptor expressed in CHO cell membranes by radioligand binding assay				J Med Chem 58: 560-76 (2015) Article DOI: 10.1021/jm500860w BindingDB Entry DOI: 10.7270/Q2125VCS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50075200 (CHEMBL3414842) Show SMILES [Br-].C[N+](C)(CCCCCCNC(=O)c1cn(Cc2ccccc2)c2cc(Br)ccc2c1=O)CC#CCOC1=NOCC1 |t:39| Show InChI InChI=1S/C32H37BrN4O4/c1-37(2,19-10-11-20-40-30-16-21-41-35-30)18-9-4-3-8-17-34-32(39)28-24-36(23-25-12-6-5-7-13-25)29-22-26(33)14-15-27(29)31(28)38/h5-7,12-15,22,24H,3-4,8-9,16-21,23H2,1-2H3/p+1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human muscarinic M1 acetylcholine receptor expressed in CHO cell membranes by radioligand binding assay				J Med Chem 58: 560-76 (2015) Article DOI: 10.1021/jm500860w BindingDB Entry DOI: 10.7270/Q2125VCS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50075201 (CHEMBL3414843) Show SMILES [Br-].C[N+](C)(CCCCCCNC(=O)c1cn(Cc2ccccc2)c2cc(Cl)c(F)cc2c1=O)CC#CCOC1=NOCC1 |t:40| Show InChI InChI=1S/C32H36ClFN4O4/c1-38(2,17-10-11-18-41-30-14-19-42-36-30)16-9-4-3-8-15-35-32(40)26-23-37(22-24-12-6-5-7-13-24)29-21-27(33)28(34)20-25(29)31(26)39/h5-7,12-13,20-21,23H,3-4,8-9,14-19,22H2,1-2H3/p+1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	851	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human muscarinic M1 acetylcholine receptor expressed in CHO cell membranes by radioligand binding assay				J Med Chem 58: 560-76 (2015) Article DOI: 10.1021/jm500860w BindingDB Entry DOI: 10.7270/Q2125VCS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50075202 (CHEMBL3414844) Show SMILES [Br-].C[N+](C)(CCCCCCNC(=O)c1cn(Cc2ccccc2)c2ccc(F)cc2c1=O)CC#CCOC1=NOCC1 |t:39| Show InChI InChI=1S/C32H37FN4O4/c1-37(2,19-10-11-20-40-30-16-21-41-35-30)18-9-4-3-8-17-34-32(39)28-24-36(23-25-12-6-5-7-13-25)29-15-14-26(33)22-27(29)31(28)38/h5-7,12-15,22,24H,3-4,8-9,16-21,23H2,1-2H3/p+1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	151	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human muscarinic M1 acetylcholine receptor expressed in CHO cell membranes by radioligand binding assay				J Med Chem 58: 560-76 (2015) Article DOI: 10.1021/jm500860w BindingDB Entry DOI: 10.7270/Q2125VCS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50008072 ((+)-pilocarpine | (3S,4R)-3-ethyl-4-[(1-methyl-1H-...) Show SMILES CC[C@H]1[C@@H](Cc2cncn2C)COC1=O |r| Show InChI InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	2.69E+3	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Binding affinity to muscarinic M1 acetylcholine receptor (unknown origin)				J Med Chem 58: 560-76 (2015) Article DOI: 10.1021/jm500860w BindingDB Entry DOI: 10.7270/Q2125VCS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (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	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	1.74E+4	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Binding affinity to muscarinic M1 acetylcholine receptor (unknown origin)				J Med Chem 58: 560-76 (2015) Article DOI: 10.1021/jm500860w BindingDB Entry DOI: 10.7270/Q2125VCS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50075203 (CHEMBL3414845) Show SMILES CCCCCCCCN1CCC(CC1)n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C20H31N3O/c1-2-3-4-5-6-9-14-22-15-12-17(13-16-22)23-19-11-8-7-10-18(19)21-20(23)24/h7-8,10-11,17H,2-6,9,12-16H2,1H3,(H,21,24)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	537	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Partial agonist activity at human muscarinic M1 acetylcholine receptor expressed in CHO cells assessed as increase in IP1 accumulation incubated for ...				J Med Chem 58: 560-76 (2015) Article DOI: 10.1021/jm500860w BindingDB Entry DOI: 10.7270/Q2125VCS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50075202 (CHEMBL3414844) Show SMILES [Br-].C[N+](C)(CCCCCCNC(=O)c1cn(Cc2ccccc2)c2ccc(F)cc2c1=O)CC#CCOC1=NOCC1 |t:39| Show InChI InChI=1S/C32H37FN4O4/c1-37(2,19-10-11-20-40-30-16-21-41-35-30)18-9-4-3-8-17-34-32(39)28-24-36(23-25-12-6-5-7-13-25)29-15-14-26(33)22-27(29)31(28)38/h5-7,12-15,22,24H,3-4,8-9,16-21,23H2,1-2H3/p+1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	59	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Partial agonist activity at human muscarinic M1 acetylcholine receptor expressed in CHO cells assessed as increase in IP1 accumulation incubated for ...				J Med Chem 58: 560-76 (2015) Article DOI: 10.1021/jm500860w BindingDB Entry DOI: 10.7270/Q2125VCS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50075201 (CHEMBL3414843) Show SMILES [Br-].C[N+](C)(CCCCCCNC(=O)c1cn(Cc2ccccc2)c2cc(Cl)c(F)cc2c1=O)CC#CCOC1=NOCC1 |t:40| Show InChI InChI=1S/C32H36ClFN4O4/c1-38(2,17-10-11-18-41-30-14-19-42-36-30)16-9-4-3-8-15-35-32(40)26-23-37(22-24-12-6-5-7-13-24)29-21-27(33)28(34)20-25(29)31(26)39/h5-7,12-13,20-21,23H,3-4,8-9,14-19,22H2,1-2H3/p+1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	302	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Partial agonist activity at human muscarinic M1 acetylcholine receptor expressed in CHO cells assessed as increase in IP1 accumulation incubated for ...				J Med Chem 58: 560-76 (2015) Article DOI: 10.1021/jm500860w BindingDB Entry DOI: 10.7270/Q2125VCS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50075200 (CHEMBL3414842) Show SMILES [Br-].C[N+](C)(CCCCCCNC(=O)c1cn(Cc2ccccc2)c2cc(Br)ccc2c1=O)CC#CCOC1=NOCC1 |t:39| Show InChI InChI=1S/C32H37BrN4O4/c1-37(2,19-10-11-20-40-30-16-21-41-35-30)18-9-4-3-8-17-34-32(39)28-24-36(23-25-12-6-5-7-13-25)29-22-26(33)14-15-27(29)31(28)38/h5-7,12-15,22,24H,3-4,8-9,16-21,23H2,1-2H3/p+1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	15	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Partial agonist activity at human muscarinic M1 acetylcholine receptor expressed in CHO cells assessed as increase in IP1 accumulation incubated for ...				J Med Chem 58: 560-76 (2015) Article DOI: 10.1021/jm500860w BindingDB Entry DOI: 10.7270/Q2125VCS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50075199 (CHEMBL3414841) Show SMILES [Br-].C[N+](C)(CCCCCCNC(=O)c1cn(Cc2ccccc2)c2c(F)cccc2c1=O)CC#CCOC1=NOCC1 |t:39| Show InChI InChI=1S/C32H37FN4O4/c1-37(2,20-10-11-21-40-29-17-22-41-35-29)19-9-4-3-8-18-34-32(39)27-24-36(23-25-13-6-5-7-14-25)30-26(31(27)38)15-12-16-28(30)33/h5-7,12-16,24H,3-4,8-9,17-23H2,1-2H3/p+1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	178	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Partial agonist activity at human muscarinic M1 acetylcholine receptor expressed in CHO cells assessed as increase in IP1 accumulation incubated for ...				J Med Chem 58: 560-76 (2015) Article DOI: 10.1021/jm500860w BindingDB Entry DOI: 10.7270/Q2125VCS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50075198 (CHEMBL3414840) Show SMILES [Br-].C[N+](C)(CCCCNC(=O)c1cn(Cc2ccccc2)c2cc(Cl)c(F)cc2c1=O)CC#CCOC1=NOCC1 |t:38| Show InChI InChI=1S/C30H32ClFN4O4/c1-36(2,15-8-9-16-39-28-12-17-40-34-28)14-7-6-13-33-30(38)24-21-35(20-22-10-4-3-5-11-22)27-19-25(31)26(32)18-23(27)29(24)37/h3-5,10-11,18-19,21H,6-7,12-17,20H2,1-2H3/p+1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	32	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Partial agonist activity at human muscarinic M1 acetylcholine receptor expressed in CHO cells assessed as increase in IP1 accumulation incubated for ...				J Med Chem 58: 560-76 (2015) Article DOI: 10.1021/jm500860w BindingDB Entry DOI: 10.7270/Q2125VCS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50075197 (CHEMBL3414839) Show SMILES [Br-].C[N+](C)(CCCCNC(=O)c1cn(Cc2ccccc2)c2cc(Br)ccc2c1=O)CC#CCOC1=NOCC1 |t:37| Show InChI InChI=1S/C30H33BrN4O4/c1-35(2,17-8-9-18-38-28-14-19-39-33-28)16-7-6-15-32-30(37)26-22-34(21-23-10-4-3-5-11-23)27-20-24(31)12-13-25(27)29(26)36/h3-5,10-13,20,22H,6-7,14-19,21H2,1-2H3/p+1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	63	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Partial agonist activity at human muscarinic M1 acetylcholine receptor expressed in CHO cells assessed as increase in IP1 accumulation incubated for ...				J Med Chem 58: 560-76 (2015) Article DOI: 10.1021/jm500860w BindingDB Entry DOI: 10.7270/Q2125VCS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50075196 (CHEMBL3414838) Show SMILES [Br-].C[N+](C)(CCCCNC(=O)c1cn(Cc2ccccc2)c2c(F)cccc2c1=O)CC#CCOC1=NOCC1 |t:37| Show InChI InChI=1S/C30H33FN4O4/c1-35(2,18-8-9-19-38-27-15-20-39-33-27)17-7-6-16-32-30(37)25-22-34(21-23-11-4-3-5-12-23)28-24(29(25)36)13-10-14-26(28)31/h3-5,10-14,22H,6-7,15-21H2,1-2H3/p+1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	58	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Partial agonist activity at human muscarinic M1 acetylcholine receptor expressed in CHO cells assessed as increase in IP1 accumulation incubated for ...				J Med Chem 58: 560-76 (2015) Article DOI: 10.1021/jm500860w BindingDB Entry DOI: 10.7270/Q2125VCS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50008072 ((+)-pilocarpine | (3S,4R)-3-ethyl-4-[(1-methyl-1H-...) Show SMILES CC[C@H]1[C@@H](Cc2cncn2C)COC1=O |r| Show InChI InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	832	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Partial agonist activity at human muscarinic M1 acetylcholine receptor expressed in CHO cells assessed as increase in IP1 accumulation incubated for ...				J Med Chem 58: 560-76 (2015) Article DOI: 10.1021/jm500860w BindingDB Entry DOI: 10.7270/Q2125VCS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50448377 (CHEMBL3121473) Show SMILES C[N+](C)(C)CC#CCOC1=NOCC1 |t:9| Show InChI InChI=1S/C10H17N2O2/c1-12(2,3)7-4-5-8-13-10-6-9-14-11-10/h6-9H2,1-3H3/q+1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Partial agonist activity at human muscarinic M1 acetylcholine receptor expressed in CHO cells assessed as increase in IP1 accumulation incubated for ...				J Med Chem 58: 560-76 (2015) Article DOI: 10.1021/jm500860w BindingDB Entry DOI: 10.7270/Q2125VCS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50313638 (1-(4-methoxybenzyl)-4-oxo-1,4-dihydroquinoline-3-c...) Show SMILES COc1ccc(Cn2cc(C(O)=O)c(=O)c3ccccc23)cc1 Show InChI InChI=1S/C18H15NO4/c1-23-13-8-6-12(7-9-13)10-19-11-15(18(21)22)17(20)14-4-2-3-5-16(14)19/h2-9,11H,10H2,1H3,(H,21,22)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	5.50E+4	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human muscarinic M1 acetylcholine receptor expressed in CHO cell membranes by radioligand binding assay				J Med Chem 58: 560-76 (2015) Article DOI: 10.1021/jm500860w BindingDB Entry DOI: 10.7270/Q2125VCS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (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	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	372	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Partial agonist activity at human muscarinic M1 acetylcholine receptor expressed in CHO cells assessed as increase in IP1 accumulation incubated for ...				J Med Chem 58: 560-76 (2015) Article DOI: 10.1021/jm500860w BindingDB Entry DOI: 10.7270/Q2125VCS
					More data for this Ligand-Target Pair