BDBM67454 1,2,4-trihydroxy-9,10-anthraquinone::1,2,4-trihydroxyanthracene-9,10-dione::1,2,4-tris(oxidanyl)anthracene-9,10-dione::MLS002473304::SMR001306802::cid_6683::hsp90_173::purpurin

SMILES Oc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1O

InChI Key InChIKey=BBNQQADTFFCFGB-UHFFFAOYSA-N

Data  2 KI  16 IC50  2 Kd

PDB links: 3 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 67454   

TargetCytochrome P450 1B1(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM67454(1,2,4-trihydroxy-9,10-anthraquinone | 1,2,4-trihyd...)
Affinity DataKi:  700nMAssay Description:Inhibition of human CYP1B1 expressed in Escherichia coli DH5alpha coexpressing human NADPH P450 reductase using 7-ethoxyresorufin as substrate in pre...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1B1(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM67454(1,2,4-trihydroxy-9,10-anthraquinone | 1,2,4-trihyd...)
Affinity DataIC50:  2.20E+3nMAssay Description:Inhibition of recombinant human CYP1B1 expressed in Escherichia coli coexpressing human NADPH-cytochrome P450 reductase using 7-ethoxyresorufin as su...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed