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BDBM42102 5-(2-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one::5-(2-bromo-4-hydroxy-5-methoxy-phenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one::5-(2-bromo-4-hydroxy-5-methoxyphenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one::BIM-0027230.P001::cid_2859182

SMILES: COc1cc(C2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)c(Br)cc1O

InChI Key: InChIKey=VEABXXDMAWGCAL-UHFFFAOYSA-N

Data: 1 EC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 42102   
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
nuclear receptor subfamily 4, group A, member 1


(Homo sapiens (Human))
BDBM42102
PNG
(5-(2-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2,2-dim...)
Show SMILES COc1cc(C2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)c(Br)cc1O |c:19|
Show InChI InChI=1S/C26H24BrNO3/c1-26(2)12-17-23-15-7-5-4-6-14(15)8-9-19(23)28-25(24(17)21(30)13-26)16-10-22(31-3)20(29)11-18(16)27/h4-11,25,28-29H,12-13H2,1-3H3
PDB
MMDB

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Similars

PCBioAssay
n/an/an/an/a 1.31E+4n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2R78CMH
More data for this
Ligand-Target Pair