BDBM25872 2-{3-[2-methyl-4-(quinolin-2-yl)piperazin-1-yl]propyl}-2,3-dihydro-1H-isoindole-1,3-dione::buspirone analogue, 3

SMILES CC1CN(CCN1CCCN1C(=O)c2ccccc2C1=O)c1ccc2ccccc2n1

InChI Key InChIKey=SDGHUAVDABDNPR-UHFFFAOYSA-N

Data  1 KI  2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 25872   

Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
National Medicines Institute

Curated by ChEMBL
LigandPNGBDBM25872(2-{3-[2-methyl-4-(quinolin-2-yl)piperazin-1-yl]pro...)
Show SMILES CC1CN(CCN1CCCN1C(=O)c2ccccc2C1=O)c1ccc2ccccc2n1
Show InChI InChI=1S/C25H26N4O2/c1-18-17-28(23-12-11-19-7-2-5-10-22(19)26-23)16-15-27(18)13-6-14-29-24(30)20-8-3-4-9-21(20)25(29)31/h2-5,7-12,18H,6,13-17H2,1H3
Affinity DataKi:  275nMAssay Description:Displacement of [3H]8-OH-DPAT from 5HT1A receptor in cerebral cortex homogenates after 15 minsMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
National Medicines Institute

LigandPNGBDBM25872(2-{3-[2-methyl-4-(quinolin-2-yl)piperazin-1-yl]pro...)
Show SMILES CC1CN(CCN1CCCN1C(=O)c2ccccc2C1=O)c1ccc2ccccc2n1
Show InChI InChI=1S/C25H26N4O2/c1-18-17-28(23-12-11-19-7-2-5-10-22(19)26-23)16-15-27(18)13-6-14-29-24(30)20-8-3-4-9-21(20)25(29)31/h2-5,7-12,18H,6,13-17H2,1H3
Affinity DataIC50: 80nMpH: 7.7 T: 2°CAssay Description:Ligand binding experiments were conducted in assay tubes containing radioligand, membrane tissue, and test compounds. Incubations were terminated by ...More data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
National Medicines Institute

Curated by ChEMBL
LigandPNGBDBM25872(2-{3-[2-methyl-4-(quinolin-2-yl)piperazin-1-yl]pro...)
Show SMILES CC1CN(CCN1CCCN1C(=O)c2ccccc2C1=O)c1ccc2ccccc2n1
Show InChI InChI=1S/C25H26N4O2/c1-18-17-28(23-12-11-19-7-2-5-10-22(19)26-23)16-15-27(18)13-6-14-29-24(30)20-8-3-4-9-21(20)25(29)31/h2-5,7-12,18H,6,13-17H2,1H3
Affinity DataIC50: 80nMAssay Description:Displacement of [3H]-Citalopram from SERT in rat cerebral cortex homogenates after 1 hr by liquid scintillation counterMore data for this Ligand-Target Pair