BDBM50189569 CHEMBL215236::[3-(4-chloro-phenyl)-7-aza-tricyclo[5.3.0.0*4,8*]dec-(5E)-ylidene]-acetic acid methyl ester
SMILES: COC(=O)\C=C1\CN2C3CCC2C1C(C3)c1ccc(Cl)cc1
InChI Key: InChIKey=MOULTCTZAHHVRO-WQLSENKSSA-N
Data: 3 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sodium-dependent dopamine transporter (Homo sapiens (Human)) | BDBM50189569 (CHEMBL215236 | [3-(4-chloro-phenyl)-7-aza-tricyclo...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.54 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Curated by ChEMBL | Assay Description Displacement of [125I]RTI-55 from human DAT transfected in HEK293 cells | Bioorg Med Chem Lett 16: 4661-3 (2006) Article DOI: 10.1016/j.bmcl.2006.05.098 BindingDB Entry DOI: 10.7270/Q22R3R93 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent noradrenaline transporter (Homo sapiens (Human)) | BDBM50189569 (CHEMBL215236 | [3-(4-chloro-phenyl)-7-aza-tricyclo...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 13.0 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Curated by ChEMBL | Assay Description Displacement of [3H]nisoxetine from human NET transfected in HEK293 cells | Bioorg Med Chem Lett 16: 4661-3 (2006) Article DOI: 10.1016/j.bmcl.2006.05.098 BindingDB Entry DOI: 10.7270/Q22R3R93 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Homo sapiens (Human)) | BDBM50189569 (CHEMBL215236 | [3-(4-chloro-phenyl)-7-aza-tricyclo...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 18.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Curated by ChEMBL | Assay Description Displacement of [3H]citalopram from human SERT transfected in HEK293 cells | Bioorg Med Chem Lett 16: 4661-3 (2006) Article DOI: 10.1016/j.bmcl.2006.05.098 BindingDB Entry DOI: 10.7270/Q22R3R93 | |||||||||||
More data for this Ligand-Target Pair |