null

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

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50088505   

TargetSolute carrier organic anion transporter family member 2B1(Homo sapiens (Human))
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50088505(CHEMBL3542370)copy SMILEScopy InChI
Affinity DataKi:  2.59E+4nMAssay Description:Drug uptake assessed as OATP2B1 (unknown origin)-mediated drug transport expressed in HEK293 cells by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2V40WXMPubMed
TargetUDP-glucuronosyltransferase 1A10(Homo sapiens (Human))
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50088505(CHEMBL3542370)copy SMILEScopy InChI
Affinity DataKi:  2.42E+5nMAssay Description:Drug metabolism assessed as human recombinant UGT1A10-mediated formation of scutellarein-6,7-diglucuronide after 25 mins by HPLC/UV analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2V40WXMPubMed
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50088505(CHEMBL3542370)copy SMILEScopy InChI
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of human BCRP-mediated methotrexate transport using inside-out membrane vesicles by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2V40WXMPubMed
TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50088505(CHEMBL3542370)copy SMILEScopy InChI
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of human MRP2-mediated estradiol-17beta-D-glucuronide formation using inside-out membrane vesicles by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2V40WXMPubMed