BDBM50194842 CHEMBL386613::N-(1-ethylcyclopentyl)-7-(2-fluorophenyl)-2,3-dihydro-1H-1,4-diazepin-5-amine

SMILES: CCC1(CCCC1)NC1=NCCN=C(C1)c1ccccc1F

InChI Key: InChIKey=PXZCEUOMRQCGIK-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50194842   

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))	BDBM50194842 (CHEMBL386613 | N-(1-ethylcyclopentyl)-7-(2-fluorop...) Show SMILES CCC1(CCCC1)NC1=NCCN=C(C1)c1ccccc1F |c:13,t:9| Show InChI InChI=1S/C18H24FN3/c1-2-18(9-5-6-10-18)22-17-13-16(20-11-12-21-17)14-7-3-4-8-15(14)19/h3-4,7-8H,2,5-6,9-13H2,1H3,(H,21,22)	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	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human 5HT2A receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 16: 6058-62 (2006) Article DOI: 10.1016/j.bmcl.2006.08.108 BindingDB Entry DOI: 10.7270/Q2D79B26
					More data for this Ligand-Target Pair