Identical Ligands in BindingDB

Found 3 hits Enzyme Inhibition Constant Data   

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   (226/237 = 95%)† (RAT)	BDBM50010591 (11-(4-Methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]d...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H20N4/c1-21-10-12-22(13-11-21)18-14-6-2-3-7-15(14)19-16-8-4-5-9-17(16)20-18/h2-9,19H,10-13H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	31	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				3D Structure (crystal)
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5   (226/237 = 95%)† (RAT)	BDBM50010591 (11-(4-Methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]d...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H20N4/c1-21-10-12-22(13-11-21)18-14-6-2-3-7-15(14)19-16-8-4-5-9-17(16)20-18/h2-9,19H,10-13H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	39	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				3D Structure (crystal)
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5   (226/237 = 95%)† (RAT)	BDBM50010591 (11-(4-Methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]d...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H20N4/c1-21-10-12-22(13-11-21)18-14-6-2-3-7-15(14)19-16-8-4-5-9-17(16)20-18/h2-9,19H,10-13H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	39	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				3D Structure (crystal)

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