BDBM50327575 6-(4-(4-(isochroman-8-yl)piperazin-1-yl)butoxy)isoindolin-1-one::CHEMBL1257857

SMILES: O=C1NCc2ccc(OCCCCN3CCN(CC3)c3cccc4CCOCc34)cc12

InChI Key: InChIKey=JTHIHYSTZWMMQN-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50327575   

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))	BDBM50327575 (6-(4-(4-(isochroman-8-yl)piperazin-1-yl)butoxy)iso...) Show SMILES O=C1NCc2ccc(OCCCCN3CCN(CC3)c3cccc4CCOCc34)cc12 Show InChI InChI=1S/C25H31N3O3/c29-25-22-16-21(7-6-20(22)17-26-25)31-14-2-1-9-27-10-12-28(13-11-27)24-5-3-4-19-8-15-30-18-23(19)24/h3-7,16H,1-2,8-15,17-18H2,(H,26,29)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.279	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]-8-OH-DPAT from human 5HT1A receptor expressed in HeLa 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))	BDBM50327575 (6-(4-(4-(isochroman-8-yl)piperazin-1-yl)butoxy)iso...) Show SMILES O=C1NCc2ccc(OCCCCN3CCN(CC3)c3cccc4CCOCc34)cc12 Show InChI InChI=1S/C25H31N3O3/c29-25-22-16-21(7-6-20(22)17-26-25)31-14-2-1-9-27-10-12-28(13-11-27)24-5-3-4-19-8-15-30-18-23(19)24/h3-7,16H,1-2,8-15,17-18H2,(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.44	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
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50327575 (6-(4-(4-(isochroman-8-yl)piperazin-1-yl)butoxy)iso...) Show SMILES O=C1NCc2ccc(OCCCCN3CCN(CC3)c3cccc4CCOCc34)cc12 Show InChI InChI=1S/C25H31N3O3/c29-25-22-16-21(7-6-20(22)17-26-25)31-14-2-1-9-27-10-12-28(13-11-27)24-5-3-4-19-8-15-30-18-23(19)24/h3-7,16H,1-2,8-15,17-18H2,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22.3	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