BDBM50269998 (S)-2-((R)-5-chloro-8-hydroxy-3-methyl-1-oxoisochroman-7-carboxamido)-3-phenylpropanoate
SMILES: C[C@@H]1Cc2c(Cl)cc(C(=O)N[C@@H](Cc3ccccc3)C([O-])=O)c(O)c2C(=O)O1
InChI Key: InChIKey=RWQKHEORZBHNRI-BMIGLBTASA-M
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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Solute carrier family 22 member 6 (Mus musculus) | BDBM50269998 ((S)-2-((R)-5-chloro-8-hydroxy-3-methyl-1-oxoisochr...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem | Article PubMed | 6.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hr | J Biol Chem 282: 23841-53 (2007) Article DOI: 10.1074/jbc.M703467200 BindingDB Entry DOI: 10.7270/Q2W95B35 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Solute carrier family 22 member 20 (Mus musculus) | BDBM50269998 ((S)-2-((R)-5-chloro-8-hydroxy-3-methyl-1-oxoisochr...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem | Article PubMed | 4.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr | J Biol Chem 282: 23841-53 (2007) Article DOI: 10.1074/jbc.M703467200 BindingDB Entry DOI: 10.7270/Q2W95B35 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase (Mycobacterium tuberculosis) | BDBM50269998 ((S)-2-((R)-5-chloro-8-hydroxy-3-methyl-1-oxoisochr...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2.50E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL | Assay Description Inhibition of Mycobacterium tuberculosis recombinant MBP-tagged MshC assessed as formation of fluorescently labeled Cys-GlcN-Ins by HPLC | Bioorg Med Chem Lett 21: 2480-3 (2011) Article DOI: 10.1016/j.bmcl.2011.02.042 BindingDB Entry DOI: 10.7270/Q26Q1XKW | |||||||||||
More data for this Ligand-Target Pair |