BDBM50327586 5-fluoro-6-(3-(4-(naphthalen-1-yl)piperazin-1-yl)propoxy)isoindolin-1-one::CHEMBL1258428

SMILES: Fc1cc2CNC(=O)c2cc1OCCCN1CCN(CC1)c1cccc2ccccc12

InChI Key: InChIKey=MIXXVGJQYQTQIC-UHFFFAOYSA-N

Data: 4 KI

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 = 50327586   

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 1A (Homo sapiens (Human))	BDBM50327586 (5-fluoro-6-(3-(4-(naphthalen-1-yl)piperazin-1-yl)p...) Show SMILES Fc1cc2CNC(=O)c2cc1OCCCN1CCN(CC1)c1cccc2ccccc12 Show InChI InChI=1S/C25H26FN3O2/c26-22-15-19-17-27-25(30)21(19)16-24(22)31-14-4-9-28-10-12-29(13-11-28)23-8-3-6-18-5-1-2-7-20(18)23/h1-3,5-8,15-16H,4,9-14,17H2,(H,27,30)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.671	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human 5HT1A receptor expressed in HeLa cells by scintillation proximity assay				Bioorg Med Chem Lett 20: 5666-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.023 BindingDB Entry DOI: 10.7270/Q2HH6K9S
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50327586 (5-fluoro-6-(3-(4-(naphthalen-1-yl)piperazin-1-yl)p...) Show SMILES Fc1cc2CNC(=O)c2cc1OCCCN1CCN(CC1)c1cccc2ccccc12 Show InChI InChI=1S/C25H26FN3O2/c26-22-15-19-17-27-25(30)21(19)16-24(22)31-14-4-9-28-10-12-29(13-11-28)23-8-3-6-18-5-1-2-7-20(18)23/h1-3,5-8,15-16H,4,9-14,17H2,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.92	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-Spiperone from human dopamine D2L receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 5666-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.023 BindingDB Entry DOI: 10.7270/Q2HH6K9S
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50327586 (5-fluoro-6-(3-(4-(naphthalen-1-yl)piperazin-1-yl)p...) Show SMILES Fc1cc2CNC(=O)c2cc1OCCCN1CCN(CC1)c1cccc2ccccc12 Show InChI InChI=1S/C25H26FN3O2/c26-22-15-19-17-27-25(30)21(19)16-24(22)31-14-4-9-28-10-12-29(13-11-28)23-8-3-6-18-5-1-2-7-20(18)23/h1-3,5-8,15-16H,4,9-14,17H2,(H,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human 5HT2A receptor				Bioorg Med Chem Lett 20: 5666-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.023 BindingDB Entry DOI: 10.7270/Q2HH6K9S
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50327586 (5-fluoro-6-(3-(4-(naphthalen-1-yl)piperazin-1-yl)p...) Show SMILES Fc1cc2CNC(=O)c2cc1OCCCN1CCN(CC1)c1cccc2ccccc12 Show InChI InChI=1S/C25H26FN3O2/c26-22-15-19-17-27-25(30)21(19)16-24(22)31-14-4-9-28-10-12-29(13-11-28)23-8-3-6-18-5-1-2-7-20(18)23/h1-3,5-8,15-16H,4,9-14,17H2,(H,27,30)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	54.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-citalopram from human serotonin transporter expressed in HEK 293 cells				Bioorg Med Chem Lett 20: 5666-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.023 BindingDB Entry DOI: 10.7270/Q2HH6K9S
					More data for this Ligand-Target Pair