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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor subfamily 5 group A member 2' and Ligand = 'BDBM22373'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nuclear receptor subfamily 5 group A member 2


(Homo sapiens (Human))
BDBM22373
PNG
((3aS,6aR)-5-[(4E)-oct-4-en-4-yl]-N,4-diphenyl-1,2,...)
Show SMILES [H][C@]12CCC[C@@]1(Nc1ccccc1)C(=C(C2)C(\CCC)=C\CCC)c1ccccc1 |r,c:15|
Show InChI InChI=1S/C28H35N/c1-3-5-14-22(13-4-2)26-21-24-17-12-20-28(24,29-25-18-10-7-11-19-25)27(26)23-15-8-6-9-16-23/h6-11,14-16,18-19,24,29H,3-5,12-13,17,20-21H2,1-2H3/b22-14+/t24-,28+/m1/s1
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Article
PubMed
n/an/an/an/a 430n/an/a7.522



University of Southampton



Assay Description
The screen utilizes a ligand mediated co-factor interaction between purified bacterial expressed ligand binding domain of human LRH1 and a TIF2-deriv...


J Med Chem 49: 6652-5 (2006)


Article DOI: 10.1021/jm060990k
BindingDB Entry DOI: 10.7270/Q2930RGT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nuclear receptor subfamily 5 group A member 2


(Homo sapiens (Human))
BDBM22373
PNG
((3aS,6aR)-5-[(4E)-oct-4-en-4-yl]-N,4-diphenyl-1,2,...)
Show SMILES [H][C@]12CCC[C@@]1(Nc1ccccc1)C(=C(C2)C(\CCC)=C\CCC)c1ccccc1 |r,c:15|
Show InChI InChI=1S/C28H35N/c1-3-5-14-22(13-4-2)26-21-24-17-12-20-28(24,29-25-18-10-7-11-19-25)27(26)23-15-8-6-9-16-23/h6-11,14-16,18-19,24,29H,3-5,12-13,17,20-21H2,1-2H3/b22-14+/t24-,28+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
PDB
UniChem

Similars

MMDB
PDB
Article
PubMed
n/an/an/an/a 631n/an/an/an/a



University of Southampton

Curated by ChEMBL


Assay Description
Agonist activity at human LRH-1 receptor assessed as TIF2 737-757 peptide recruitment by TR-FRET assay relative to control


J Med Chem 54: 2266-81 (2011)


Article DOI: 10.1021/jm1014296
BindingDB Entry DOI: 10.7270/Q29Z957P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)