BDBM50151988 3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-piperazin-1-yl]-butyl}-1H-indole-5-carbonitrile::CHEMBL189709
SMILES: N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCOc4c3)c2c1
InChI Key: InChIKey=XDVASTBBJDCVRN-UHFFFAOYSA-N
Data: 5 IC50
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)) | BDBM50151988 (3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-pipera...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck KGaA Curated by ChEMBL | Assay Description Inhibition of [3H]-5-HT re-uptake in rat synaptosomes | J Med Chem 47: 4684-92 (2004) Article DOI: 10.1021/jm040793q BindingDB Entry DOI: 10.7270/Q2513XPS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Rattus norvegicus (rat)) | BDBM50151988 (3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-pipera...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck KGaA Curated by ChEMBL | Assay Description Displacement of [3H]-spiperone from dopamine D2 receptor of rat striatal membranes | J Med Chem 47: 4684-92 (2004) Article DOI: 10.1021/jm040793q BindingDB Entry DOI: 10.7270/Q2513XPS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Homo sapiens (Human)) | BDBM50151988 (3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-pipera...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Curated by ChEMBL | Assay Description Agonist activity at human 5HT1A expressed in CHO cell membranes assessed as increase in [35S]-GTPgammaS binding after 30 mins by liquid scintillation... | J Med Chem 61: 5822-5880 (2018) Article DOI: 10.1021/acs.jmedchem.7b01788 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Rattus norvegicus (rat)) | BDBM50151988 (3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-pipera...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Curated by ChEMBL | Assay Description inhibition of rat cerebral 5HT transporter assessed as reduction in [3H]5HT reuptake after 4 mins | J Med Chem 61: 5822-5880 (2018) Article DOI: 10.1021/acs.jmedchem.7b01788 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat)) | BDBM50151988 (3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-pipera...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck KGaA Curated by ChEMBL | Assay Description Inhibition of 8-OH DPAT binding to rat hydroxytryptamine 1A receptor expresssed in CHO cells | J Med Chem 47: 4684-92 (2004) Article DOI: 10.1021/jm040793q BindingDB Entry DOI: 10.7270/Q2513XPS | |||||||||||
More data for this Ligand-Target Pair |