BDBM50091035 2-(4-Hydroxy-3-methoxy-phenyl)-ethyl-ammonium(3-methoxytyramine)::3-O-methyldopamine
SMILES: COc1cc(CC[NH3+])ccc1O
InChI Key: InChIKey=DIVQKHQLANKJQO-UHFFFAOYSA-O
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
D(2) dopamine receptor (Rattus norvegicus (rat)) | BDBM50091035 (2-(4-Hydroxy-3-methoxy-phenyl)-ethyl-ammonium(3-me...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase MCE KEGG PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | 2.51E+5 | n/a | n/a | n/a | n/a | n/a |
University of Texas Curated by ChEMBL | Assay Description In vitro affinity at mutant D2 receptor (S194A) in C6 (glioma) cell membranes. | J Med Chem 43: 3005-19 (2000) BindingDB Entry DOI: 10.7270/Q24J0FS2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Rattus norvegicus (rat)) | BDBM50091035 (2-(4-Hydroxy-3-methoxy-phenyl)-ethyl-ammonium(3-me...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase MCE KEGG PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | 2.25E+5 | n/a | n/a | n/a | n/a | n/a |
University of Texas Curated by ChEMBL | Assay Description In vitro affinity at mutant D2 receptor (S197A) in C6 (glioma) cell membranes. | J Med Chem 43: 3005-19 (2000) BindingDB Entry DOI: 10.7270/Q24J0FS2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Rattus norvegicus (rat)) | BDBM50091035 (2-(4-Hydroxy-3-methoxy-phenyl)-ethyl-ammonium(3-me...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase MCE KEGG PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | 9.40E+4 | n/a | n/a | n/a | n/a | n/a |
University of Texas Curated by ChEMBL | Assay Description In vitro affinity at wild type Dopamine receptor D2 on C6 (glioma) cell membranes. | J Med Chem 43: 3005-19 (2000) BindingDB Entry DOI: 10.7270/Q24J0FS2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Rattus norvegicus (rat)) | BDBM50091035 (2-(4-Hydroxy-3-methoxy-phenyl)-ethyl-ammonium(3-me...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase MCE KEGG PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | 8.80E+4 | n/a | n/a | n/a | n/a | n/a |
University of Texas Curated by ChEMBL | Assay Description In vitro affinity at mutant D2 receptor (S194A) in C6 (glioma) cell membranes. | J Med Chem 43: 3005-19 (2000) BindingDB Entry DOI: 10.7270/Q24J0FS2 | |||||||||||
More data for this Ligand-Target Pair |
Cell (A) | Syringe (B) | Cell Links | Syringe Links | Cell + Syr Links | ΔG° kcal/mole | -TΔS° kcal/mole | ΔH° kcal/mole | log K | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|
BDBM11 | BDBM50091035 | CHEBI KEGG MMDB PC cid PC sid PDB | CHEBI KEGG PC cid PC sid | -1.41 | -0.0712 | -1.36 | 1.04 | 6.90 | 24.9 | |
NIST | J Am Chem Soc 117: 8830-40 (1995) | |||||||||
BDBM11 | BDBM50091035 | CHEBI KEGG MMDB PC cid PC sid PDB | CHEBI KEGG PC cid PC sid | -0.860 | 2.34 | -3.20 | 0.630 | 5 | 24.9 | |
NIST | J Am Chem Soc 117: 8830-40 (1995) |