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BDBM22376 (3aS,6aR)-4-cyclohexyl-5-[(4E)-oct-4-en-4-yl]-N-phenyl-1,2,3,3a,6,6a-hexahydropentalen-3a-amine::bicyclo[3.3.0]-oct-2-ene, 5d

SMILES: [H][C@]12CCC[C@@]1(Nc1ccccc1)C(C1CCCCC1)=C(C2)C(\CCC)=C\CCC

InChI Key: InChIKey=ZGDHZHVYMROVBP-KTNSFKJWSA-N

Data: 2 EC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 22376   
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
Steroidogenic Factor 1


(Homo sapiens (Human))
BDBM22376
PNG
((3aS,6aR)-4-cyclohexyl-5-[(4E)-oct-4-en-4-yl]-N-ph...)
Show SMILES [H][C@]12CCC[C@@]1(Nc1ccccc1)C(C1CCCCC1)=C(C2)C(\CCC)=C\CCC |r,c:22|
Show InChI InChI=1S/C28H41N/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/h7,10-11,14,18-19,23-24,29H,3-6,8-9,12-13,15-17,20-21H2,1-2H3/b22-14+/t24-,28+/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 10n/an/an/an/a



University of Southampton



Assay Description
The screen utilizes a ligand mediated co-factor interaction between purified bacterial expressed ligand binding domain of human SF1 and a peptide der...


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
Liver Receptor Homolog 1


(Homo sapiens (Human))
BDBM22376
PNG
((3aS,6aR)-4-cyclohexyl-5-[(4E)-oct-4-en-4-yl]-N-ph...)
Show SMILES [H][C@]12CCC[C@@]1(Nc1ccccc1)C(C1CCCCC1)=C(C2)C(\CCC)=C\CCC |r,c:22|
Show InChI InChI=1S/C28H41N/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/h7,10-11,14,18-19,23-24,29H,3-6,8-9,12-13,15-17,20-21H2,1-2H3/b22-14+/t24-,28+/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 12n/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