Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with all data for entry = 50048345   

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/M2/M3/M4/M5 (RAT)	BDBM50452855 (Isoptpo Hyoscine | Scopolamine) Show SMILES [H][C@@]12O[C@@]1([H])[C@]1([H])C[C@@H](C[C@@]2([H])N1C)OC(=O)[C@H](CO)c1ccccc1 |r,TLB:14:8:12:1.3,2:1:12:8.7.9,2:3:12:8.7.9| Show InChI InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11-,12-,13-,14+,15+,16+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars		0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of [3H]pirenzepine binding to muscarinic receptor in rat cortical homogenates				Citation and Details BindingDB Entry DOI: 10.7270/Q24J0H9M
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50212967 (CHEMBL295365) Show SMILES CCCOc1oc(nc1C(C)CC)C1=CCCN(C)C1 |t:14| Show InChI InChI=1S/C16H26N2O2/c1-5-10-19-16-14(12(3)6-2)17-15(20-16)13-8-7-9-18(4)11-13/h8,12H,5-7,9-11H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of [3H]pirenzepine binding to muscarinic receptor in rat cortical homogenates				Citation and Details BindingDB Entry DOI: 10.7270/Q24J0H9M
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50212970 (CHEMBL300424) Show SMILES CCOc1oc(nc1C(C)CC)C1=CCCN(C)C1 |t:13| Show InChI InChI=1S/C15H24N2O2/c1-5-11(3)13-15(18-6-2)19-14(16-13)12-8-7-9-17(4)10-12/h8,11H,5-7,9-10H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem		0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of [3H]pirenzepine binding to muscarinic receptor in rat cortical homogenates				Citation and Details BindingDB Entry DOI: 10.7270/Q24J0H9M
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50212972 (CHEMBL45694) Show SMILES CCCCOc1oc(nc1C(C)CC)C1=CCCN(C)C1 |t:15| Show InChI InChI=1S/C17H28N2O2/c1-5-7-11-20-17-15(13(3)6-2)18-16(21-17)14-9-8-10-19(4)12-14/h9,13H,5-8,10-12H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of [3H]pirenzepine binding to muscarinic receptor in rat cortical homogenates				Citation and Details BindingDB Entry DOI: 10.7270/Q24J0H9M
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50212975 (CHEMBL49915) Show SMILES CCC(C)c1nc(oc1OC)C1=CCCN(C)C1 |t:12| Show InChI InChI=1S/C14H22N2O2/c1-5-10(2)12-14(17-4)18-13(15-12)11-7-6-8-16(3)9-11/h7,10H,5-6,8-9H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem		2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of [3H]pirenzepine binding to muscarinic receptor in rat cortical homogenates				Citation and Details BindingDB Entry DOI: 10.7270/Q24J0H9M
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50212973 (CHEMBL298030) Show SMILES COc1oc(nc1C(C)C)C1=CCCN(C)C1 |t:11| Show InChI InChI=1S/C13H20N2O2/c1-9(2)11-13(16-4)17-12(14-11)10-6-5-7-15(3)8-10/h6,9H,5,7-8H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem		10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of [3H]pirenzepine binding to muscarinic receptor in rat cortical homogenates				Citation and Details BindingDB Entry DOI: 10.7270/Q24J0H9M
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50212964 (CHEMBL48342) Show SMILES CCCCc1nc(oc1OC)C1=CCCN(C)C1 |t:12| Show InChI InChI=1S/C14H22N2O2/c1-4-5-8-12-14(17-3)18-13(15-12)11-7-6-9-16(2)10-11/h7H,4-6,8-10H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars		11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of [3H]pirenzepine binding to muscarinic receptor in rat cortical homogenates				Citation and Details BindingDB Entry DOI: 10.7270/Q24J0H9M
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50212974 (CHEMBL297794) Show SMILES COc1oc(nc1Cc1ccccc1)C1=CCCN(C)C1 |t:16| Show InChI InChI=1S/C17H20N2O2/c1-19-10-6-9-14(12-19)16-18-15(17(20-2)21-16)11-13-7-4-3-5-8-13/h3-5,7-9H,6,10-12H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars		16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of [3H]pirenzepine binding to muscarinic receptor in rat cortical homogenates				Citation and Details BindingDB Entry DOI: 10.7270/Q24J0H9M
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50212969 (CHEMBL47178) Show SMILES CCCCCCOc1oc(nc1C(C)CC)C1=CCCN(C)C1 |t:17| Show InChI InChI=1S/C19H32N2O2/c1-5-7-8-9-13-22-19-17(15(3)6-2)20-18(23-19)16-11-10-12-21(4)14-16/h11,15H,5-10,12-14H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem		22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of [3H]pirenzepine binding to muscarinic receptor in rat cortical homogenates				Citation and Details BindingDB Entry DOI: 10.7270/Q24J0H9M
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50212966 (CHEMBL46324) Show SMILES COc1oc(nc1CC(C)C)C1=CCCN(C)C1 |t:12| Show InChI InChI=1S/C14H22N2O2/c1-10(2)8-12-14(17-4)18-13(15-12)11-6-5-7-16(3)9-11/h6,10H,5,7-9H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem		25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of [3H]pirenzepine binding to muscarinic receptor in rat cortical homogenates				Citation and Details BindingDB Entry DOI: 10.7270/Q24J0H9M
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50212968 (CHEMBL296552) Show SMILES CCc1nc(oc1OC)C1=CCCN(C)C1 |t:10| Show InChI InChI=1S/C12H18N2O2/c1-4-10-12(15-3)16-11(13-10)9-6-5-7-14(2)8-9/h6H,4-5,7-8H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem		30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of [3H]pirenzepine binding to muscarinic receptor in rat cortical homogenates				Citation and Details BindingDB Entry DOI: 10.7270/Q24J0H9M
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50212963 (CHEMBL47331) Show SMILES CCOc1oc(nc1C)C1=CCCN(C)C1 |t:10| Show InChI InChI=1S/C12H18N2O2/c1-4-15-12-9(2)13-11(16-12)10-6-5-7-14(3)8-10/h6H,4-5,7-8H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents		33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of [3H]pirenzepine binding to muscarinic receptor in rat cortical homogenates				Citation and Details BindingDB Entry DOI: 10.7270/Q24J0H9M
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50212965 (CHEMBL49139) Show SMILES COc1oc(nc1C)C1=CCCN(C)C1 |t:9| Show InChI InChI=1S/C11H16N2O2/c1-8-11(14-3)15-10(12-8)9-5-4-6-13(2)7-9/h5H,4,6-7H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem		90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of [3H]pirenzepine binding to muscarinic receptor in rat cortical homogenates				Citation and Details BindingDB Entry DOI: 10.7270/Q24J0H9M
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50212971 (CHEMBL297896) Show SMILES COc1cnc(o1)C1=CCCN(C)C1 |t:8| Show InChI InChI=1S/C10H14N2O2/c1-12-5-3-4-8(7-12)10-11-6-9(13-2)14-10/h4,6H,3,5,7H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of [3H]pirenzepine binding to muscarinic receptor in rat cortical homogenates				Citation and Details BindingDB Entry DOI: 10.7270/Q24J0H9M
					More data for this Ligand-Target Pair