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SMILES: O[C@@H]1CCCN(Cc2ccc(OCCCc3ccc(Oc4ccccc4)nn3)cc2)C1

InChI Key: InChIKey=ZAJWCDMUELNBFR-JOCHJYFZSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50106584   

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
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50106584 (CHEMBL3601041) Show SMILES O[C@@H]1CCCN(Cc2ccc(OCCCc3ccc(Oc4ccccc4)nn3)cc2)C1 |r| Show InChI InChI=1S/C25H29N3O3/c29-22-7-4-16-28(19-22)18-20-10-13-23(14-11-20)30-17-5-6-21-12-15-25(27-26-21)31-24-8-2-1-3-9-24/h1-3,8-15,22,29H,4-7,16-19H2/t22-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	92	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) Article DOI: 10.1016/j.bmcl.2015.05.074 BindingDB Entry DOI: 10.7270/Q2MK6FN7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50106584 (CHEMBL3601041) Show SMILES O[C@@H]1CCCN(Cc2ccc(OCCCc3ccc(Oc4ccccc4)nn3)cc2)C1 |r| Show InChI InChI=1S/C25H29N3O3/c29-22-7-4-16-28(19-22)18-20-10-13-23(14-11-20)30-17-5-6-21-12-15-25(27-26-21)31-24-8-2-1-3-9-24/h1-3,8-15,22,29H,4-7,16-19H2/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article 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) Article DOI: 10.1016/j.bmcl.2015.05.074 BindingDB Entry DOI: 10.7270/Q2MK6FN7
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50106584 (CHEMBL3601041) Show SMILES O[C@@H]1CCCN(Cc2ccc(OCCCc3ccc(Oc4ccccc4)nn3)cc2)C1 |r| Show InChI InChI=1S/C25H29N3O3/c29-22-7-4-16-28(19-22)18-20-10-13-23(14-11-20)30-17-5-6-21-12-15-25(27-26-21)31-24-8-2-1-3-9-24/h1-3,8-15,22,29H,4-7,16-19H2/t22-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article 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) Article DOI: 10.1016/j.bmcl.2015.05.074 BindingDB Entry DOI: 10.7270/Q2MK6FN7
					More data for this Ligand-Target Pair