BDBM50111036 Benzoic acid 9-(3-chloro-4-iodo-benzylidene)-7-aza-tricyclo[4.3.1.0*3,7*]dec-2-ylmethyl ester::Benzoic acid 9-[1-(3-chloro-4-iodo-phenyl)-meth-(Z)-ylidene]-7-aza-tricyclo[4.3.1.0*3,7*]dec-2-ylmethyl ester::CHEMBL58858
SMILES: Clc1cc(\C=C2/CN3C4CCC3C(COC(=O)c3ccccc3)C2C4)ccc1I
InChI Key: InChIKey=IUTKTWYPUQJGQR-LICLKQGHSA-N
Data: 4 KI
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 |
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Sodium-dependent serotonin transporter (Rattus norvegicus (rat)) | BDBM50111036 (Benzoic acid 9-(3-chloro-4-iodo-benzylidene)-7-aza...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University Medical Center Curated by ChEMBL | Assay Description Inhibition of [3H]5-HT reuptake at serotonin transporter in rat mid brain | Bioorg Med Chem Lett 12: 993-5 (2002) BindingDB Entry DOI: 10.7270/Q20K294R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Rattus norvegicus (rat)) | BDBM50111036 (Benzoic acid 9-(3-chloro-4-iodo-benzylidene)-7-aza...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University Medical Center Curated by ChEMBL | Assay Description Inhibition of high affinity re-uptake of [3H]5-HT (serotonin) into nerve ending synaptosomes | J Med Chem 45: 1930-41 (2002) BindingDB Entry DOI: 10.7270/Q2M32WHG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Norepinephrine Monoamine transporters (Rattus norvegicus) | BDBM50111036 (Benzoic acid 9-(3-chloro-4-iodo-benzylidene)-7-aza...) | Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University Medical Center Curated by ChEMBL | Assay Description Ability to inhibit high affinity reuptake of [3H]-NE (Norepinephrine transporter) into nerve ending synaptosomes prepared from brain regions | J Med Chem 45: 1930-41 (2002) BindingDB Entry DOI: 10.7270/Q2M32WHG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent dopamine transporter (Rattus norvegicus (rat)) | BDBM50111036 (Benzoic acid 9-(3-chloro-4-iodo-benzylidene)-7-aza...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University Medical Center Curated by ChEMBL | Assay Description Ability to inhibit high affinity reuptake of [3H]DA from dopamine transporter into nerve endings synaptosomes | J Med Chem 45: 1930-41 (2002) BindingDB Entry DOI: 10.7270/Q2M32WHG | |||||||||||
More data for this Ligand-Target Pair |