BDBM50107735 CHEMBL3600815

SMILES: CC(=O)NC1CCN(Cc2ccc(CCNC(=O)c3ccc(cc3)-c3ccc(F)cc3)cc2)CC1

InChI Key: InChIKey=MNKSLZNPCRRMKJ-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 = 50107735   

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))	BDBM50107735 (CHEMBL3600815) Show SMILES CC(=O)NC1CCN(Cc2ccc(CCNC(=O)c3ccc(cc3)-c3ccc(F)cc3)cc2)CC1 Show InChI InChI=1S/C29H32FN3O2/c1-21(34)32-28-15-18-33(19-16-28)20-23-4-2-22(3-5-23)14-17-31-29(35)26-8-6-24(7-9-26)25-10-12-27(30)13-11-25/h2-13,28H,14-20H2,1H3,(H,31,35)(H,32,34)	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	360	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))	BDBM50107735 (CHEMBL3600815) Show SMILES CC(=O)NC1CCN(Cc2ccc(CCNC(=O)c3ccc(cc3)-c3ccc(F)cc3)cc2)CC1 Show InChI InChI=1S/C29H32FN3O2/c1-21(34)32-28-15-18-33(19-16-28)20-23-4-2-22(3-5-23)14-17-31-29(35)26-8-6-24(7-9-26)25-10-12-27(30)13-11-25/h2-13,28H,14-20H2,1H3,(H,31,35)(H,32,34)	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 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))	BDBM50107735 (CHEMBL3600815) Show SMILES CC(=O)NC1CCN(Cc2ccc(CCNC(=O)c3ccc(cc3)-c3ccc(F)cc3)cc2)CC1 Show InChI InChI=1S/C29H32FN3O2/c1-21(34)32-28-15-18-33(19-16-28)20-23-4-2-22(3-5-23)14-17-31-29(35)26-8-6-24(7-9-26)25-10-12-27(30)13-11-25/h2-13,28H,14-20H2,1H3,(H,31,35)(H,32,34)	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.62E+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))	BDBM50107735 (CHEMBL3600815) Show SMILES CC(=O)NC1CCN(Cc2ccc(CCNC(=O)c3ccc(cc3)-c3ccc(F)cc3)cc2)CC1 Show InChI InChI=1S/C29H32FN3O2/c1-21(34)32-28-15-18-33(19-16-28)20-23-4-2-22(3-5-23)14-17-31-29(35)26-8-6-24(7-9-26)25-10-12-27(30)13-11-25/h2-13,28H,14-20H2,1H3,(H,31,35)(H,32,34)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.50E+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