BDBM50327590 7-fluoro-6-(4-(4-(8-fluoronaphthalen-1-yl)piperazin-1-yl)butoxy)isoindolin-1-one::CHEMBL1258199

SMILES: Fc1cccc2cccc(N3CCN(CCCCOc4ccc5CNC(=O)c5c4F)CC3)c12

InChI Key: InChIKey=AZXRALDDIQIHKZ-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50327590   

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))	BDBM50327590 (7-fluoro-6-(4-(4-(8-fluoronaphthalen-1-yl)piperazi...) Show SMILES Fc1cccc2cccc(N3CCN(CCCCOc4ccc5CNC(=O)c5c4F)CC3)c12 Show InChI InChI=1S/C26H27F2N3O2/c27-20-7-3-5-18-6-4-8-21(23(18)20)31-14-12-30(13-15-31)11-1-2-16-33-22-10-9-19-17-29-26(32)24(19)25(22)28/h3-10H,1-2,11-17H2,(H,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.568	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
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50327590 (7-fluoro-6-(4-(4-(8-fluoronaphthalen-1-yl)piperazi...) Show SMILES Fc1cccc2cccc(N3CCN(CCCCOc4ccc5CNC(=O)c5c4F)CC3)c12 Show InChI InChI=1S/C26H27F2N3O2/c27-20-7-3-5-18-6-4-8-21(23(18)20)31-14-12-30(13-15-31)11-1-2-16-33-22-10-9-19-17-29-26(32)24(19)25(22)28/h3-10H,1-2,11-17H2,(H,29,32)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.09	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))	BDBM50327590 (7-fluoro-6-(4-(4-(8-fluoronaphthalen-1-yl)piperazi...) Show SMILES Fc1cccc2cccc(N3CCN(CCCCOc4ccc5CNC(=O)c5c4F)CC3)c12 Show InChI InChI=1S/C26H27F2N3O2/c27-20-7-3-5-18-6-4-8-21(23(18)20)31-14-12-30(13-15-31)11-1-2-16-33-22-10-9-19-17-29-26(32)24(19)25(22)28/h3-10H,1-2,11-17H2,(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35.2	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
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50327590 (7-fluoro-6-(4-(4-(8-fluoronaphthalen-1-yl)piperazi...) Show SMILES Fc1cccc2cccc(N3CCN(CCCCOc4ccc5CNC(=O)c5c4F)CC3)c12 Show InChI InChI=1S/C26H27F2N3O2/c27-20-7-3-5-18-6-4-8-21(23(18)20)31-14-12-30(13-15-31)11-1-2-16-33-22-10-9-19-17-29-26(32)24(19)25(22)28/h3-10H,1-2,11-17H2,(H,29,32)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	48.1	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 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
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50327590 (7-fluoro-6-(4-(4-(8-fluoronaphthalen-1-yl)piperazi...) Show SMILES Fc1cccc2cccc(N3CCN(CCCCOc4ccc5CNC(=O)c5c4F)CC3)c12 Show InChI InChI=1S/C26H27F2N3O2/c27-20-7-3-5-18-6-4-8-21(23(18)20)31-14-12-30(13-15-31)11-1-2-16-33-22-10-9-19-17-29-26(32)24(19)25(22)28/h3-10H,1-2,11-17H2,(H,29,32)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	57.2	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