BDBM50442907 Acetyl Isogambogic Acid::CHEMBL3039433
SMILES: [H]C12[#6]-[#6@H]-3-[#6]=[#6]4-[#6](=O)-c5c(-[#8]-[#6](-[#6])=O)c6-[#6]=[#6]C([#6])([#6]-[#6]\[#6]=[#6](\[#6])-[#6])[#8]-c6c(-[#6]\[#6]=[#6](\[#6])-[#6])c5-[#8][C@@]14C([#6]\[#6]=[#6](/[#6])-[#6](-[#8])=O)([#8]C2([#6])[#6])[#6]-3=O
InChI Key: InChIKey=REDMIYQFNIRTDF-AKZXAPPFSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Solute carrier organic anion transporter family member 1B1 (OATP1B1) (Homo sapiens (Human)) | BDBM50442907 (Acetyl Isogambogic Acid | CHEMBL3039433) | UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.24E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
KU Leuven Curated by ChEMBL | Assay Description Ki values for sodium fluorescein (10 uM) uptake in OATP1B1-transfected CHO cells | Mol Pharmacol 83: 1257-67 (2013) Article DOI: 10.1124/mol.112.084152 BindingDB Entry DOI: 10.7270/Q2TB18BP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Solute carrier organic anion transporter family member 1B3 (OATP1B3) (Homo sapiens (Human)) | BDBM50442907 (Acetyl Isogambogic Acid | CHEMBL3039433) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.17E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
KU Leuven Curated by ChEMBL | Assay Description Ki values for sodium fluorescein (10 uM) uptake in OATP1B3-transfected CHO cells | Mol Pharmacol 83: 1257-67 (2013) Article DOI: 10.1124/mol.112.084152 BindingDB Entry DOI: 10.7270/Q2TB18BP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Ubiquitin carboxyl-terminal hydrolase isozyme L5 (Homo sapiens (Human)) | BDBM50442907 (Acetyl Isogambogic Acid | CHEMBL3039433) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.65E+4 | n/a | n/a | n/a | n/a | 7.5 | 25 |
University of Delaware | Assay Description Ubiquitin-7-amino-4-methylcoumarin (Ub-AMC) was generated as previously described.(7) The enzymatic reaction was conducted in fluorometric assay buff... | ACS Chem Biol 12: 2399-2407 (2017) Article DOI: 10.1021/acschembio.7b00543 BindingDB Entry DOI: 10.7270/Q21J97WD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Ubiquitin carboxyl-terminal hydrolase 2 (Homo sapiens (Human)) | BDBM50442907 (Acetyl Isogambogic Acid | CHEMBL3039433) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.82E+4 | n/a | n/a | n/a | n/a | 7.5 | 25 |
University of Delaware | Assay Description Ubiquitin-7-amino-4-methylcoumarin (Ub-AMC) was generated as previously described.(7) The enzymatic reaction was conducted in fluorometric assay buff... | ACS Chem Biol 12: 2399-2407 (2017) Article DOI: 10.1021/acschembio.7b00543 BindingDB Entry DOI: 10.7270/Q21J97WD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Solute carrier organic anion transporter family member 1B3 (OATP1B3) (Homo sapiens (Human)) | BDBM50442907 (Acetyl Isogambogic Acid | CHEMBL3039433) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
KU Leuven Curated by ChEMBL | Assay Description pIC50 values for sodium fluorescein (10 uM) uptake in OATP1B3-transfected CHO cells | Mol Pharmacol 83: 1257-67 (2013) Article DOI: 10.1124/mol.112.084152 BindingDB Entry DOI: 10.7270/Q2TB18BP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Solute carrier organic anion transporter family member 1B1 (OATP1B1) (Homo sapiens (Human)) | BDBM50442907 (Acetyl Isogambogic Acid | CHEMBL3039433) | UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.07E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
KU Leuven Curated by ChEMBL | Assay Description pIC50 values for sodium fluorescein (10 uM) uptake in OATP1B1-transfected CHO cells | Mol Pharmacol 83: 1257-67 (2013) Article DOI: 10.1124/mol.112.084152 BindingDB Entry DOI: 10.7270/Q2TB18BP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Ubiquitin C-terminal Hydrolase L3 (UCH-L3) (Homo sapiens (Human)) | BDBM50442907 (Acetyl Isogambogic Acid | CHEMBL3039433) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.54E+4 | n/a | n/a | n/a | n/a | 7.5 | 25 |
University of Delaware | Assay Description Ubiquitin-7-amino-4-methylcoumarin (Ub-AMC) was generated as previously described.(7) The enzymatic reaction was conducted in fluorometric assay buff... | ACS Chem Biol 12: 2399-2407 (2017) Article DOI: 10.1021/acschembio.7b00543 BindingDB Entry DOI: 10.7270/Q21J97WD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Ubiquitin carboxyl-terminal hydrolase isozyme L1 (Homo sapiens (Human)) | BDBM50442907 (Acetyl Isogambogic Acid | CHEMBL3039433) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.40E+3 | n/a | n/a | n/a | n/a | 7.5 | 25 |
University of Delaware | Assay Description Ubiquitin-7-amino-4-methylcoumarin (Ub-AMC) was generated as previously described.(7) The enzymatic reaction was conducted in fluorometric assay buff... | ACS Chem Biol 12: 2399-2407 (2017) Article DOI: 10.1021/acschembio.7b00543 BindingDB Entry DOI: 10.7270/Q21J97WD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Ubiquitin carboxyl-terminal hydrolase 15 (Homo sapiens (Human)) | BDBM50442907 (Acetyl Isogambogic Acid | CHEMBL3039433) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.11E+4 | n/a | n/a | n/a | n/a | 7.5 | 25 |
University of Delaware | Assay Description Ubiquitin-7-amino-4-methylcoumarin (Ub-AMC) was generated as previously described.(7) The enzymatic reaction was conducted in fluorometric assay buff... | ACS Chem Biol 12: 2399-2407 (2017) Article DOI: 10.1021/acschembio.7b00543 BindingDB Entry DOI: 10.7270/Q21J97WD | |||||||||||
More data for this Ligand-Target Pair |