BDBM50152027 5-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1-yl}-benzo[b]thiophene-2-carboxylic acid amide::CHEMBL185764
SMILES: NC(=O)c1cc2cc(ccc2s1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
InChI Key: InChIKey=MVZZXNPQYQCSTB-UHFFFAOYSA-N
Data: 2 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)) | BDBM50152027 (5-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 0.300 | 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 | |||||||||||||
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat)) | BDBM50152027 (5-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 3.10 | 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 |