Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M1/M2/M3/M4/M5' and Ligand = 'BDBM50010594'   

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)	BDBM50010594 (2-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2ccc(Cl)cc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-12-13(19)6-7-15(14)20-16-4-2-3-5-17(16)21-18/h2-7,12,20H,8-11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Liège Curated by ChEMBL					Assay Description In vitro binding affinity against Muscarinic acetylcholine receptors in rat brain.				J Med Chem 36: 2107-14 (1993) BindingDB Entry DOI: 10.7270/Q22B8X37
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50010594 (2-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2ccc(Cl)cc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-12-13(19)6-7-15(14)20-16-4-2-3-5-17(16)21-18/h2-7,12,20H,8-11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested in vitro for its ability to displace 3[H] clozapine from Muscarinic acetylcholine receptor in rat brain				J Med Chem 25: 855-8 (1982) BindingDB Entry DOI: 10.7270/Q2N018R2
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50010594 (2-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2ccc(Cl)cc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-12-13(19)6-7-15(14)20-16-4-2-3-5-17(16)21-18/h2-7,12,20H,8-11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Binding affinity was determined against Muscarinic acetylcholine receptor using [3H]QNB as radioligand in rat brain.				J Med Chem 33: 809-14 (1990) BindingDB Entry DOI: 10.7270/Q2348JCH
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50010594 (2-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2ccc(Cl)cc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-12-13(19)6-7-15(14)20-16-4-2-3-5-17(16)21-18/h2-7,12,20H,8-11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Binding activity against muscarinic receptor in rat brain using [3H]QNB as the radioligand				J Med Chem 32: 2261-8 (1989) BindingDB Entry DOI: 10.7270/Q27W6B5D
					More data for this Ligand-Target Pair