BDBM15788 4-[(4-fluorophenyl)methyl]piperidine::CHEMBL1204355::CHEMBL144527::fragment 4::piperidine 4

SMILES: Fc1ccc(CC2CCNCC2)cc1

InChI Key: InChIKey=JLAKCHGEEBPDQI-UHFFFAOYSA-N

Data: 2 KI  1 Other

PDB links: 1 PDB ID matches this monomer.

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 3 hits for monomerid = 15788   

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
Serotonin 2 (5-HT2) receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM15788 (4-[(4-fluorophenyl)methyl]piperidine | CHEMBL12043...) Show SMILES Fc1ccc(CC2CCNCC2)cc1 Show InChI InChI=1S/C12H16FN/c13-12-3-1-10(2-4-12)9-11-5-7-14-8-6-11/h1-4,11,14H,5-9H2	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity against 5-Hydroxy tryptamine 2 (5-hydroxytryptamine 2)receptor				J Med Chem 35: 4903-10 (1993) Article DOI: 10.1021/jm00104a017 BindingDB Entry DOI: 10.7270/Q26T0N86
					More data for this Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C) (Rattus norvegicus (Rat))	BDBM15788 (4-[(4-fluorophenyl)methyl]piperidine | CHEMBL12043...) Show SMILES Fc1ccc(CC2CCNCC2)cc1 Show InChI InChI=1S/C12H16FN/c13-12-3-1-10(2-4-12)9-11-5-7-14-8-6-11/h1-4,11,14H,5-9H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 1C receptor				J Med Chem 35: 4903-10 (1993) Article DOI: 10.1021/jm00104a017 BindingDB Entry DOI: 10.7270/Q26T0N86
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM15788 (4-[(4-fluorophenyl)methyl]piperidine | CHEMBL12043...) Show SMILES Fc1ccc(CC2CCNCC2)cc1 Show InChI InChI=1S/C12H16FN/c13-12-3-1-10(2-4-12)9-11-5-7-14-8-6-11/h1-4,11,14H,5-9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	5.0	22
Astex					Assay Description Activity of BACE-1 was measured by monitoring the cleavage of its peptide substrate on a Fluoroskan Ascent plate reader with excitation and emission ...				J Med Chem 50: 1116-23 (2007) Article DOI: 10.1021/jm0611962 BindingDB Entry DOI: 10.7270/Q2Q23XHV
					More data for this Ligand-Target Pair				3D Structure (crystal)