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SMILES: COc1ccc(cc1)-c1ccc(CCCNc2ccc(CN3CCCC3)cc2)nn1

InChI Key: InChIKey=HHCFMFBXBGMIMS-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50106526   

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))	BDBM50106526 (CHEMBL3601030) Show SMILES COc1ccc(cc1)-c1ccc(CCCNc2ccc(CN3CCCC3)cc2)nn1 Show InChI InChI=1S/C25H30N4O/c1-30-24-13-8-21(9-14-24)25-15-12-23(27-28-25)5-4-16-26-22-10-6-20(7-11-22)19-29-17-2-3-18-29/h6-15,26H,2-5,16-19H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.86E+3	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
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50106526 (CHEMBL3601030) Show SMILES COc1ccc(cc1)-c1ccc(CCCNc2ccc(CN3CCCC3)cc2)nn1 Show InChI InChI=1S/C25H30N4O/c1-30-24-13-8-21(9-14-24)25-15-12-23(27-28-25)5-4-16-26-22-10-6-20(7-11-22)19-29-17-2-3-18-29/h6-15,26H,2-5,16-19H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	95	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))	BDBM50106526 (CHEMBL3601030) Show SMILES COc1ccc(cc1)-c1ccc(CCCNc2ccc(CN3CCCC3)cc2)nn1 Show InChI InChI=1S/C25H30N4O/c1-30-24-13-8-21(9-14-24)25-15-12-23(27-28-25)5-4-16-26-22-10-6-20(7-11-22)19-29-17-2-3-18-29/h6-15,26H,2-5,16-19H2,1H3	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	4.54E+3	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