BDBM50291683 1-(3,4-Dihydroxy-benzyl)-2-methyl-1,2,3,4-tetrahydro-isoquinoline-6,7-diol::CHEMBL19844::D,L-laudanosoline (JW9-3)
SMILES: CN1CCc2cc(O)c(O)cc2C1Cc1ccc(O)c(O)c1
InChI Key: InChIKey=VHRSWCTVFBWHKE-UHFFFAOYSA-N
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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D(4) dopamine receptor (Homo sapiens (Human)) | BDBM50291683 (1-(3,4-Dihydroxy-benzyl)-2-methyl-1,2,3,4-tetrahyd...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Similars | Article | 350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Potency was measured by the displacement of [3H]-spiperone binding to human D4 dopaminergic receptor | Bioorg Med Chem Lett 7: 1207-1212 (1997) Article DOI: 10.1016/S0960-894X(97)00194-7 BindingDB Entry DOI: 10.7270/Q2CJ8F0Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Homo sapiens (Human)) | BDBM50291683 (1-(3,4-Dihydroxy-benzyl)-2-methyl-1,2,3,4-tetrahyd...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Similars | Article | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Potency was measured by the displacement of [3H]spiperone binding to human D2 dopaminergic receptor | Bioorg Med Chem Lett 7: 1207-1212 (1997) Article DOI: 10.1016/S0960-894X(97)00194-7 BindingDB Entry DOI: 10.7270/Q2CJ8F0Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
H1N1 Endonuclease (2009 H1N1 Influenza) | BDBM50291683 (1-(3,4-Dihydroxy-benzyl)-2-methyl-1,2,3,4-tetrahyd...) | PDB MMDB B.MOAD GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Rutgers University | ACS Chem Biol 8: 2501-8 (2013) Article DOI: 10.1021/cb400400j BindingDB Entry DOI: 10.7270/Q28W3BZW | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
H1N1 Endonuclease (2009 H1N1 Influenza) | BDBM50291683 (1-(3,4-Dihydroxy-benzyl)-2-methyl-1,2,3,4-tetrahyd...) | PDB MMDB B.MOAD GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Rutgers University | Assay Description Cocktails of 4-8 compounds were used for the initial screening with single compound soaks to verify the bound fragment identity and to rule out coope... | ACS Chem Biol 8: 2501-8 (2013) Article DOI: 10.1021/cb400400j BindingDB Entry DOI: 10.7270/Q28W3BZW | |||||||||||
More data for this Ligand-Target Pair |