BDBM50123076 2-{7-[4-(5-Fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-heptyl}-isoindole-1,3-dione::CHEMBL338270

SMILES: Fc1ccc2[nH]cc(C3=CCN(CCCCCCCN4C(=O)c5ccccc5C4=O)CC3)c2c1

InChI Key: InChIKey=PJYMXWDDSLXHGG-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50123076   

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
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50123076 (2-{7-[4-(5-Fluoro-1H-indol-3-yl)-3,6-dihydro-2H-py...) Show SMILES Fc1ccc2[nH]cc(C3=CCN(CCCCCCCN4C(=O)c5ccccc5C4=O)CC3)c2c1 |t:8| Show InChI InChI=1S/C28H30FN3O2/c29-21-10-11-26-24(18-21)25(19-30-26)20-12-16-31(17-13-20)14-6-2-1-3-7-15-32-27(33)22-8-4-5-9-23(22)28(32)34/h4-5,8-12,18-19,30H,1-3,6-7,13-17H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description In vitro binding affinity for serotonin reuptake sites in rat frontal cortex membranes by [3H]-paroxetine displacement.				Bioorg Med Chem Lett 13: 405-8 (2003) BindingDB Entry DOI: 10.7270/Q2Z89BSX
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50123076 (2-{7-[4-(5-Fluoro-1H-indol-3-yl)-3,6-dihydro-2H-py...) Show SMILES Fc1ccc2[nH]cc(C3=CCN(CCCCCCCN4C(=O)c5ccccc5C4=O)CC3)c2c1 |t:8| Show InChI InChI=1S/C28H30FN3O2/c29-21-10-11-26-24(18-21)25(19-30-26)20-12-16-31(17-13-20)14-6-2-1-3-7-15-32-27(33)22-8-4-5-9-23(22)28(32)34/h4-5,8-12,18-19,30H,1-3,6-7,13-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description In vitro binding affinity at human cloned dopamine receptor D2 (long) stably expressed in CHO cells by [3H]-Spiperone displacement.				Bioorg Med Chem Lett 13: 405-8 (2003) BindingDB Entry DOI: 10.7270/Q2Z89BSX
					More data for this Ligand-Target Pair