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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 = 'BDBM22385'   
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))
BDBM22385
PNG
((3aS,6aR)-5-hexyl-N,4-diphenyl-1,2,3,3a,6,6a-hexah...)
Show SMILES [H][C@]12CCC[C@@]1(Nc1ccccc1)C(=C(CCCCCC)C2)c1ccccc1 |r,t:15|
Show InChI InChI=1S/C26H33N/c1-2-3-4-7-15-22-20-23-16-12-19-26(23,27-24-17-10-6-11-18-24)25(22)21-13-8-5-9-14-21/h5-6,8-11,13-14,17-18,23,27H,2-4,7,12,15-16,19-20H2,1H3/t23-,26+/m1/s1
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UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 34n/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
Nuclear receptor subfamily 5 group A member 2


(Homo sapiens (Human))
BDBM22385
PNG
((3aS,6aR)-5-hexyl-N,4-diphenyl-1,2,3,3a,6,6a-hexah...)
Show SMILES [H][C@]12CCC[C@@]1(Nc1ccccc1)C(=C(CCCCCC)C2)c1ccccc1 |r,t:15|
Show InChI InChI=1S/C26H33N/c1-2-3-4-7-15-22-20-23-16-12-19-26(23,27-24-17-10-6-11-18-24)25(22)21-13-8-5-9-14-21/h5-6,8-11,13-14,17-18,23,27H,2-4,7,12,15-16,19-20H2,1H3/t23-,26+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 31.6n/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