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BDBM22390 (3aS,6aR)-N-(4-chlorophenyl)-5-hexyl-4-phenyl-1,2,3,3a,6,6a-hexahydropentalen-3a-amine::bicyclo[3.3.0]-oct-2-ene, 5r

SMILES: [H][C@]12CCC[C@@]1(Nc1ccc(Cl)cc1)C(=C(CCCCCC)C2)c1ccccc1

InChI Key: InChIKey=REQNZUVCTVFEAK-GJZUVCINSA-N

Data: 2 EC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 22390   
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))
BDBM22390
PNG
((3aS,6aR)-N-(4-chlorophenyl)-5-hexyl-4-phenyl-1,2,...)
Show SMILES [H][C@]12CCC[C@@]1(Nc1ccc(Cl)cc1)C(=C(CCCCCC)C2)c1ccccc1 |r,t:16|
Show InChI InChI=1S/C26H32ClN/c1-2-3-4-6-12-21-19-22-13-9-18-26(22,25(21)20-10-7-5-8-11-20)28-24-16-14-23(27)15-17-24/h5,7-8,10-11,14-17,22,28H,2-4,6,9,12-13,18-19H2,1H3/t22-,26+/m1/s1
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PC sid
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Similars

Article
PubMed
n/an/an/an/a 700n/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))
BDBM22390
PNG
((3aS,6aR)-N-(4-chlorophenyl)-5-hexyl-4-phenyl-1,2,...)
Show SMILES [H][C@]12CCC[C@@]1(Nc1ccc(Cl)cc1)C(=C(CCCCCC)C2)c1ccccc1 |r,t:16|
Show InChI InChI=1S/C26H32ClN/c1-2-3-4-6-12-21-19-22-13-9-18-26(22,25(21)20-10-7-5-8-11-20)28-24-16-14-23(27)15-17-24/h5,7-8,10-11,14-17,22,28H,2-4,6,9,12-13,18-19H2,1H3/t22-,26+/m1/s1
PDB
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Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.00E+3n/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