BDBM50088505 CHEMBL3542370
SMILES: O[C@H]1[C@H](Oc2c(O)cc3oc(cc(=O)c3c2O)-c2ccc(O)cc2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O
InChI Key: InChIKey=HBLWMMBFOKSEKW-BHWDSYMASA-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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Solute carrier organic anion transporter family member 2B1 (Homo sapiens (Human)) | BDBM50088505 (CHEMBL3542370) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | 2.59E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences Curated by ChEMBL | Assay Description Drug uptake assessed as OATP2B1 (unknown origin)-mediated drug transport expressed in HEK293 cells by LC-MS/MS analysis | Drug Metab Dispos 40: 2009-20 (2012) Article DOI: 10.1124/dmd.112.047183 BindingDB Entry DOI: 10.7270/Q2V40WXM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
UDP-glucuronosyltransferase 1-10 (Homo sapiens (Human)) | BDBM50088505 (CHEMBL3542370) | KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | 2.42E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences Curated by ChEMBL | Assay Description Drug metabolism assessed as human recombinant UGT1A10-mediated formation of scutellarein-6,7-diglucuronide after 25 mins by HPLC/UV analysis | Drug Metab Dispos 40: 2009-20 (2012) Article DOI: 10.1124/dmd.112.047183 BindingDB Entry DOI: 10.7270/Q2V40WXM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ATP-binding cassette sub-family G member 2 (Homo sapiens (Human)) | BDBM50088505 (CHEMBL3542370) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences Curated by ChEMBL | Assay Description Inhibition of human BCRP-mediated methotrexate transport using inside-out membrane vesicles by LC-MS/MS analysis | Drug Metab Dispos 40: 2009-20 (2012) Article DOI: 10.1124/dmd.112.047183 BindingDB Entry DOI: 10.7270/Q2V40WXM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Multidrug resistance-associated protein 2 (MRP2) (Homo sapiens (Human)) | BDBM50088505 (CHEMBL3542370) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences Curated by ChEMBL | Assay Description Inhibition of human MRP2-mediated estradiol-17beta-D-glucuronide formation using inside-out membrane vesicles by LC-MS/MS analysis | Drug Metab Dispos 40: 2009-20 (2012) Article DOI: 10.1124/dmd.112.047183 BindingDB Entry DOI: 10.7270/Q2V40WXM | |||||||||||
More data for this Ligand-Target Pair |