BDBM50107737 CHEMBL3600817

SMILES: CC(=O)CNC1CCN(Cc2ccc(CCNC(=O)c3ccc(cc3)-c3ccc(F)cc3)cc2)CC1

InChI Key: InChIKey=ARFXECJNWZZFLK-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50107737   

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
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50107737 (CHEMBL3600817) Show SMILES CC(=O)CNC1CCN(Cc2ccc(CCNC(=O)c3ccc(cc3)-c3ccc(F)cc3)cc2)CC1 Show InChI InChI=1S/C30H34FN3O2/c1-22(35)20-33-29-15-18-34(19-16-29)21-24-4-2-23(3-5-24)14-17-32-30(36)27-8-6-25(7-9-27)26-10-12-28(31)13-11-26/h2-13,29,33H,14-21H2,1H3,(H,32,36)	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	528	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co. KG Curated by ChEMBL					Assay Description Inhibition of 5HT2A receptor (unknown origin)				Bioorg Med Chem Lett 25: 3264-9 (2015) BindingDB Entry DOI: 10.7270/Q25D8TMB
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor (Homo sapiens (Human))	BDBM50107737 (CHEMBL3600817) Show SMILES CC(=O)CNC1CCN(Cc2ccc(CCNC(=O)c3ccc(cc3)-c3ccc(F)cc3)cc2)CC1 Show InChI InChI=1S/C30H34FN3O2/c1-22(35)20-33-29-15-18-34(19-16-29)21-24-4-2-23(3-5-24)14-17-32-30(36)27-8-6-25(7-9-27)26-10-12-28(31)13-11-26/h2-13,29,33H,14-21H2,1H3,(H,32,36)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	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 MCHR1 expressed in CHO/Galpha16 cell membranes by scintillation counting method				Bioorg Med Chem Lett 25: 3264-9 (2015) BindingDB Entry DOI: 10.7270/Q25D8TMB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50107737 (CHEMBL3600817) Show SMILES CC(=O)CNC1CCN(Cc2ccc(CCNC(=O)c3ccc(cc3)-c3ccc(F)cc3)cc2)CC1 Show InChI InChI=1S/C30H34FN3O2/c1-22(35)20-33-29-15-18-34(19-16-29)21-24-4-2-23(3-5-24)14-17-32-30(36)27-8-6-25(7-9-27)26-10-12-28(31)13-11-26/h2-13,29,33H,14-21H2,1H3,(H,32,36)	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co. KG Curated by ChEMBL					Assay Description Inhibition of muscarinic M1 receptor (unknown origin)				Bioorg Med Chem Lett 25: 3264-9 (2015) BindingDB Entry DOI: 10.7270/Q25D8TMB
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50107737 (CHEMBL3600817) Show SMILES CC(=O)CNC1CCN(Cc2ccc(CCNC(=O)c3ccc(cc3)-c3ccc(F)cc3)cc2)CC1 Show InChI InChI=1S/C30H34FN3O2/c1-22(35)20-33-29-15-18-34(19-16-29)21-24-4-2-23(3-5-24)14-17-32-30(36)27-8-6-25(7-9-27)26-10-12-28(31)13-11-26/h2-13,29,33H,14-21H2,1H3,(H,32,36)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co. KG Curated by ChEMBL					Assay Description Inhibition of CYP2D6 receptor (unknown origin)				Bioorg Med Chem Lett 25: 3264-9 (2015) BindingDB Entry DOI: 10.7270/Q25D8TMB
					More data for this Ligand-Target Pair