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SMILES: OC1CCN(Cc2ccc(NCCCc3ccc(OCc4ccccc4)nn3)cc2)CC1

InChI Key: InChIKey=MJYOVAQKEPMTHM-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50106579   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50106579 (CHEMBL3601036) Show SMILES OC1CCN(Cc2ccc(NCCCc3ccc(OCc4ccccc4)nn3)cc2)CC1 Show InChI InChI=1S/C26H32N4O2/c31-25-14-17-30(18-15-25)19-21-8-10-23(11-9-21)27-16-4-7-24-12-13-26(29-28-24)32-20-22-5-2-1-3-6-22/h1-3,5-6,8-13,25,27,31H,4,7,14-20H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co. KG Curated by ChEMBL					Assay Description Binding affinity to muscarinic M1 receptor (unknown origin)				Bioorg Med Chem Lett 25: 3270-4 (2015) BindingDB Entry DOI: 10.7270/Q2MK6FN7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50106579 (CHEMBL3601036) Show SMILES OC1CCN(Cc2ccc(NCCCc3ccc(OCc4ccccc4)nn3)cc2)CC1 Show InChI InChI=1S/C26H32N4O2/c31-25-14-17-30(18-15-25)19-21-8-10-23(11-9-21)27-16-4-7-24-12-13-26(29-28-24)32-20-22-5-2-1-3-6-22/h1-3,5-6,8-13,25,27,31H,4,7,14-20H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co. KG Curated by ChEMBL					Assay Description Binding affinity to 5HT2A receptor (unknown origin)				Bioorg Med Chem Lett 25: 3270-4 (2015) BindingDB Entry DOI: 10.7270/Q2MK6FN7
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50106579 (CHEMBL3601036) Show SMILES OC1CCN(Cc2ccc(NCCCc3ccc(OCc4ccccc4)nn3)cc2)CC1 Show InChI InChI=1S/C26H32N4O2/c31-25-14-17-30(18-15-25)19-21-8-10-23(11-9-21)27-16-4-7-24-12-13-26(29-28-24)32-20-22-5-2-1-3-6-22/h1-3,5-6,8-13,25,27,31H,4,7,14-20H2	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co. KG Curated by ChEMBL					Assay Description Displacement of [125I-MCH] from human MCH receptor 1 expressed in CHO cell membranes by scintillation counting method				Bioorg Med Chem Lett 25: 3270-4 (2015) BindingDB Entry DOI: 10.7270/Q2MK6FN7
					More data for this Ligand-Target Pair