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

Data: 4 KI  6 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50061554   

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...) Show SMILES COc1cc(ccc1O)[C@@H]1Oc2c(cc(cc2O)[C@H]2Oc3cc(O)cc(O)c3C(O)C2=O)[C@H]1CO |r| Show InChI InChI=1S/C25H22O10/c1-33-18-6-10(2-3-15(18)28)23-14(9-26)13-4-11(5-17(30)25(13)35-23)24-22(32)21(31)20-16(29)7-12(27)8-19(20)34-24/h2-8,14,21,23-24,26-31H,9H2,1H3/t14-,21?,23+,24-/m1/s1	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...) Show SMILES COc1cc(ccc1O)[C@@H]1Oc2c(cc(cc2O)[C@H]2Oc3cc(O)cc(O)c3C(O)C2=O)[C@H]1CO |r| Show InChI InChI=1S/C25H22O10/c1-33-18-6-10(2-3-15(18)28)23-14(9-26)13-4-11(5-17(30)25(13)35-23)24-22(32)21(31)20-16(29)7-12(27)8-19(20)34-24/h2-8,14,21,23-24,26-31H,9H2,1H3/t14-,21?,23+,24-/m1/s1	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...) Show SMILES COc1cc(ccc1O)[C@@H]1Oc2c(cc(cc2O)[C@H]2Oc3cc(O)cc(O)c3C(O)C2=O)[C@H]1CO |r| Show InChI InChI=1S/C25H22O10/c1-33-18-6-10(2-3-15(18)28)23-14(9-26)13-4-11(5-17(30)25(13)35-23)24-22(32)21(31)20-16(29)7-12(27)8-19(20)34-24/h2-8,14,21,23-24,26-31H,9H2,1H3/t14-,21?,23+,24-/m1/s1	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...) Show SMILES COc1cc(ccc1O)[C@@H]1Oc2c(cc(cc2O)[C@H]2Oc3cc(O)cc(O)c3C(O)C2=O)[C@H]1CO |r| Show InChI InChI=1S/C25H22O10/c1-33-18-6-10(2-3-15(18)28)23-14(9-26)13-4-11(5-17(30)25(13)35-23)24-22(32)21(31)20-16(29)7-12(27)8-19(20)34-24/h2-8,14,21,23-24,26-31H,9H2,1H3/t14-,21?,23+,24-/m1/s1	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...) Show SMILES COc1cc(ccc1O)[C@@H]1Oc2c(cc(cc2O)[C@H]2Oc3cc(O)cc(O)c3C(O)C2=O)[C@H]1CO |r| Show InChI InChI=1S/C25H22O10/c1-33-18-6-10(2-3-15(18)28)23-14(9-26)13-4-11(5-17(30)25(13)35-23)24-22(32)21(31)20-16(29)7-12(27)8-19(20)34-24/h2-8,14,21,23-24,26-31H,9H2,1H3/t14-,21?,23+,24-/m1/s1	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...) Show SMILES COc1cc(ccc1O)[C@@H]1Oc2c(cc(cc2O)[C@H]2Oc3cc(O)cc(O)c3C(O)C2=O)[C@H]1CO |r| Show InChI InChI=1S/C25H22O10/c1-33-18-6-10(2-3-15(18)28)23-14(9-26)13-4-11(5-17(30)25(13)35-23)24-22(32)21(31)20-16(29)7-12(27)8-19(20)34-24/h2-8,14,21,23-24,26-31H,9H2,1H3/t14-,21?,23+,24-/m1/s1	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...) Show SMILES COc1cc(ccc1O)[C@@H]1Oc2c(cc(cc2O)[C@H]2Oc3cc(O)cc(O)c3C(O)C2=O)[C@H]1CO |r| Show InChI InChI=1S/C25H22O10/c1-33-18-6-10(2-3-15(18)28)23-14(9-26)13-4-11(5-17(30)25(13)35-23)24-22(32)21(31)20-16(29)7-12(27)8-19(20)34-24/h2-8,14,21,23-24,26-31H,9H2,1H3/t14-,21?,23+,24-/m1/s1	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...) Show SMILES COc1cc(ccc1O)[C@@H]1Oc2c(cc(cc2O)[C@H]2Oc3cc(O)cc(O)c3C(O)C2=O)[C@H]1CO |r| Show InChI InChI=1S/C25H22O10/c1-33-18-6-10(2-3-15(18)28)23-14(9-26)13-4-11(5-17(30)25(13)35-23)24-22(32)21(31)20-16(29)7-12(27)8-19(20)34-24/h2-8,14,21,23-24,26-31H,9H2,1H3/t14-,21?,23+,24-/m1/s1	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...) Show SMILES COc1cc(ccc1O)[C@@H]1Oc2c(cc(cc2O)[C@H]2Oc3cc(O)cc(O)c3C(O)C2=O)[C@H]1CO |r| Show InChI InChI=1S/C25H22O10/c1-33-18-6-10(2-3-15(18)28)23-14(9-26)13-4-11(5-17(30)25(13)35-23)24-22(32)21(31)20-16(29)7-12(27)8-19(20)34-24/h2-8,14,21,23-24,26-31H,9H2,1H3/t14-,21?,23+,24-/m1/s1	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...) Show SMILES COc1cc(ccc1O)[C@@H]1Oc2c(cc(cc2O)[C@H]2Oc3cc(O)cc(O)c3C(O)C2=O)[C@H]1CO |r| Show InChI InChI=1S/C25H22O10/c1-33-18-6-10(2-3-15(18)28)23-14(9-26)13-4-11(5-17(30)25(13)35-23)24-22(32)21(31)20-16(29)7-12(27)8-19(20)34-24/h2-8,14,21,23-24,26-31H,9H2,1H3/t14-,21?,23+,24-/m1/s1	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