BDBM50269962 3-methyl-n-butyrate::3-methylbutanoate::3-methylbutyrate::CHEMBL1762642::beta-methylbutyrate::delphinate::isopentanoate::isopropylacetate::isovalerate::isovalerianate
SMILES: CC(C)CC([O-])=O
InChI Key: InChIKey=GWYFCOCPABKNJV-UHFFFAOYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Solute carrier family 22 member 20 (Mus musculus) | BDBM50269962 (3-methyl-n-butyrate | 3-methylbutanoate | 3-methyl...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 3.23E+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 | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50269962 (3-methyl-n-butyrate | 3-methylbutanoate | 3-methyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze Curated by ChEMBL | Assay Description Inhibition of human cytosolic carbonic anhydrase 2 by stopped flow CO2 hydration assay | Bioorg Med Chem Lett 21: 2521-6 (2011) Article DOI: 10.1016/j.bmcl.2011.02.057 BindingDB Entry DOI: 10.7270/Q2X63N76 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50269962 (3-methyl-n-butyrate | 3-methylbutanoate | 3-methyl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze Curated by ChEMBL | Assay Description Inhibition of human cytosolic carbonic anhydrase 1 by stopped flow CO2 hydration assay | Bioorg Med Chem Lett 21: 2521-6 (2011) Article DOI: 10.1016/j.bmcl.2011.02.057 BindingDB Entry DOI: 10.7270/Q2X63N76 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Solute carrier family 22 member 6 (Mus musculus) | BDBM50269962 (3-methyl-n-butyrate | 3-methylbutanoate | 3-methyl...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 2.34E+6 | 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 |