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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 = 'BDBM50511468'   
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))
BDBM50511468
PNG
(CHEMBL4452196)
Show SMILES [H][C@@]12CC(CCCCCCCCCC(=O)OC)=C(c3ccccc3)[C@@]1(CC[C@@H]2N)C(=C)c1ccccc1 |r,t:16|
Show InChI InChI=1S/C33H43NO2/c1-25(26-16-11-8-12-17-26)33-23-22-30(34)29(33)24-28(32(33)27-18-13-9-14-19-27)20-10-6-4-3-5-7-15-21-31(35)36-2/h8-9,11-14,16-19,29-30H,1,3-7,10,15,20-24,34H2,2H3/t29-,30-,33-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.40E+3n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of 6N-FAM from human LRH1 LBD (299 to 541 residues) expressed in Escherichia coli BL21 pLysS by competitive binding based fluorescence p...


ACS Med Chem Lett 11: 365-370 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00442
BindingDB Entry DOI: 10.7270/Q2K35Z0D
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 5 group A member 2


(Homo sapiens (Human))
BDBM50511468
PNG
(CHEMBL4452196)
Show SMILES [H][C@@]12CC(CCCCCCCCCC(=O)OC)=C(c3ccccc3)[C@@]1(CC[C@@H]2N)C(=C)c1ccccc1 |r,t:16|
Show InChI InChI=1S/C33H43NO2/c1-25(26-16-11-8-12-17-26)33-23-22-30(34)29(33)24-28(32(33)27-18-13-9-14-19-27)20-10-6-4-3-5-7-15-21-31(35)36-2/h8-9,11-14,16-19,29-30H,1,3-7,10,15,20-24,34H2,2H3/t29-,30-,33-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.50E+3n/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged human LRH1 LBD (294 to 541 residues) expressed in Escherichia coli BL21 (DE3) by SPR assay


ACS Med Chem Lett 11: 365-370 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00442
BindingDB Entry DOI: 10.7270/Q2K35Z0D
More data for this
Ligand-Target Pair