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BDBM50298231 CHEMBL576579::Monodictyochromone B

SMILES: C[C@H]1CC(=O)O[C@H]1[C@@]1(C)CC(=O)c2c(O)c(ccc2O1)-c1c(C)cc2O[C@@](C)(CC(=O)c2c1O)[C@@H]1OC(=O)C[C@H]1O

InChI Key: InChIKey=YSURVZRGQKOUAG-QXBVHLSASA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50298231   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Cytochrome P450 19A1


(Homo sapiens (Human))		BDBM50298231
PNG
(CHEMBL576579 | Monodictyochromone B)
Show SMILES C[C@H]1CC(=O)O[C@H]1[C@@]1(C)CC(=O)c2c(O)c(ccc2O1)-c1c(C)cc2O[C@@](C)(CC(=O)c2c1O)[C@@H]1OC(=O)C[C@H]1O |r,wU:1.0,6.7,34.38,wD:7.8,26.29,39.45,(12.51,.38,;13.97,.87,;14.44,2.34,;15.98,2.35,;16.88,3.6,;16.47,.88,;15.22,-.03,;15.23,-1.57,;13.91,-2.35,;16.56,-.79,;17.89,-1.57,;19.23,-.81,;17.89,-3.11,;19.21,-3.88,;20.55,-3.12,;19.2,-5.42,;17.86,-6.18,;16.55,-5.4,;16.56,-3.87,;15.23,-3.11,;20.53,-6.2,;20.51,-7.74,;19.16,-8.5,;21.83,-8.52,;23.17,-7.76,;24.49,-8.54,;25.82,-7.79,;25.81,-9.34,;25.84,-6.26,;24.52,-5.47,;24.54,-3.93,;23.19,-6.23,;21.86,-5.44,;21.88,-3.89,;27.15,-7.03,;28.56,-7.65,;29.59,-6.51,;31.12,-6.67,;28.82,-5.17,;27.31,-5.49,;26.17,-4.46,)|
Show InChI InChI=1S/C30H30O11/c1-12-7-19-24(17(33)11-30(4,41-19)28-15(31)9-21(35)39-28)26(37)22(12)14-5-6-18-23(25(14)36)16(32)10-29(3,40-18)27-13(2)8-20(34)38-27/h5-7,13,15,27-28,31,36-37H,8-11H2,1-4H3/t13-,15+,27+,28+,29+,30-/m0/s1
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MMDB

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Similars
Article
PubMed
n/an/a 1.65E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aromatase

J Nat Prod 71: 1793-1799 (2008)


Article DOI: 10.1021/np800392w
BindingDB Entry DOI: 10.7270/Q2X34XHF
More data for this
Ligand-Target Pair