BDBM50061554 (+)-Silychristin::(2R,3R)-3,5,7-Trihydroxy-2-[(2R,3S)-7-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-3-hydroxymethyl-2,3-dihydro-benzofuran-5-yl]-chroman-4-one::CHEMBL130493::SILYCHRISTIN
SMILES: COc1cc(ccc1O)[C@@H]1Oc2c(cc(cc2O)[C@H]2Oc3cc(O)cc(O)c3C(O)C2=O)[C@H]1CO
InChI Key: InChIKey=MUKQBXKBYBEXHP-FTWIWWOYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Tyrosinase (Agaricus bisporus (Common mushroom)) | BDBM50061554 ((+)-Silychristin | (2R,3R)-3,5,7-Trihydroxy-2-[(2R...) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gyeongsang National University Curated by ChEMBL | Assay Description Inhibition of monophenolase activity of mushroom tyrosinase assessed as inhibition constant for free enzyme-inhibitor complex by measuring reduction ... | Bioorg Med Chem 27: 2499-2507 (2019) Article DOI: 10.1016/j.bmc.2019.03.013 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosinase (Agaricus bisporus (Common mushroom)) | BDBM50061554 ((+)-Silychristin | (2R,3R)-3,5,7-Trihydroxy-2-[(2R...) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gyeongsang National University Curated by ChEMBL | Assay Description Mixed type inhibition of monophenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-Tyrosine substrate by UV... | Bioorg Med Chem 27: 2499-2507 (2019) Article DOI: 10.1016/j.bmc.2019.03.013 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosinase (Agaricus bisporus (Common mushroom)) | BDBM50061554 ((+)-Silychristin | (2R,3R)-3,5,7-Trihydroxy-2-[(2R...) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.52E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gyeongsang National University Curated by ChEMBL | Assay Description Inhibition of diphenolase activity of mushroom tyrosinase assessed as inhibition constant for free enzyme-inhibitor complex by measuring reduction in... | Bioorg Med Chem 27: 2499-2507 (2019) Article DOI: 10.1016/j.bmc.2019.03.013 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosinase (Agaricus bisporus (Common mushroom)) | BDBM50061554 ((+)-Silychristin | (2R,3R)-3,5,7-Trihydroxy-2-[(2R...) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.54E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gyeongsang National University Curated by ChEMBL | Assay Description Mixed type inhibition of diphenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-DOPA substrate by UV-Vis s... | Bioorg Med Chem 27: 2499-2507 (2019) Article DOI: 10.1016/j.bmc.2019.03.013 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Solute carrier organic anion transporter family member 1B3 (OATP1B3) (Homo sapiens (Human)) | BDBM50061554 ((+)-Silychristin | (2R,3R)-3,5,7-Trihydroxy-2-[(2R...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.64E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill Curated by ChEMBL | Assay Description Inhibition of OATP1B3 (unknown origin) expressed in HEK293 cells assessed as reduction of [3H]estradiol-17beta-glucuronide uptake after 3 mins by bet... | Drug Metab Dispos 41: 958-65 (2013) Article DOI: 10.1124/dmd.112.048272 BindingDB Entry DOI: 10.7270/Q2PK0HWJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Solute carrier organic anion transporter family member 2B1 (Homo sapiens (Human)) | BDBM50061554 ((+)-Silychristin | (2R,3R)-3,5,7-Trihydroxy-2-[(2R...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill Curated by ChEMBL | Assay Description Inhibition of OATP2B1 (unknown origin) expressed in MDCK2 cells assessed as reduction of [3H]estrone-3-sulfate uptake after 3 mins by beta-counting | Drug Metab Dispos 41: 958-65 (2013) Article DOI: 10.1124/dmd.112.048272 BindingDB Entry DOI: 10.7270/Q2PK0HWJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosinase (Agaricus bisporus (Common mushroom)) | BDBM50061554 ((+)-Silychristin | (2R,3R)-3,5,7-Trihydroxy-2-[(2R...) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Gyeongsang National University Curated by ChEMBL | Assay Description Inhibition of monophenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-Tyrosine substrate by UV-Vis spectr... | Bioorg Med Chem 27: 2499-2507 (2019) Article DOI: 10.1016/j.bmc.2019.03.013 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosinase (Agaricus bisporus (Common mushroom)) | BDBM50061554 ((+)-Silychristin | (2R,3R)-3,5,7-Trihydroxy-2-[(2R...) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.88E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Gyeongsang National University Curated by ChEMBL | Assay Description Inhibition of diphenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-DOPA substrate by UV-Vis spectrophoto... | Bioorg Med Chem 27: 2499-2507 (2019) Article DOI: 10.1016/j.bmc.2019.03.013 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Solute carrier organic anion transporter family member 1B1 (OATP1B1) (Homo sapiens (Human)) | BDBM50061554 ((+)-Silychristin | (2R,3R)-3,5,7-Trihydroxy-2-[(2R...) | UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill Curated by ChEMBL | Assay Description Inhibition of OATP1B1 (unknown origin) expressed in HEK293 cells assessed as reduction of [3H]estradiol-17beta-glucuronide uptake after 3 mins by bet... | Drug Metab Dispos 41: 958-65 (2013) Article DOI: 10.1124/dmd.112.048272 BindingDB Entry DOI: 10.7270/Q2PK0HWJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin (Bos taurus (bovine)) | BDBM50061554 ((+)-Silychristin | (2R,3R)-3,5,7-Trihydroxy-2-[(2R...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.44E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Alcalá Curated by ChEMBL | Assay Description Inhibitory concentration of the compounds against Bovine trypsin enzyme. | J Med Chem 40: 4136-45 (1998) Article DOI: 10.1021/jm970245v BindingDB Entry DOI: 10.7270/Q2JM28S5 | |||||||||||
More data for this Ligand-Target Pair |