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BDBM42086 BIM-0020349.P001::cid_2846808

SMILES: [Na+].[Na+].[O-]C(=O)c1ccccc1C1C2C=CC3=CC(=O)C=CC3=C2Oc2c1ccc1cc([O-])ccc21

InChI Key: InChIKey=XSNZVVXGMWAHHL-UHFFFAOYSA-L

Data: 1 EC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 42086   
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))
BDBM42086
PNG
(BIM-0020349.P001 | cid_2846808)
Show SMILES [Na+].[Na+].[O-]C(=O)c1ccccc1C1C2C=CC3=CC(=O)C=CC3=C2Oc2c1ccc1cc([O-])ccc21 |c:12,18,21,t:14|
Show InChI InChI=1S/C28H18O5.2Na/c29-17-7-11-19-15(13-17)5-9-23-25(21-3-1-2-4-22(21)28(31)32)24-10-6-16-14-18(30)8-12-20(16)27(24)33-26(19)23;;/h1-14,23,25,30H,(H,31,32);;/q;2*+1/p-2
PDB
MMDB

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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.68E+3n/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