BDBM20177 (1S,2R,5S,10S,11S,14R,15S)-14-[(2S,3R)-3-hydroxy-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-ol::22(R)-hydroxycholesterol::CHEMBL422904

SMILES [H][C@@](O)(CCC(C)C)[C@@H](C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC=C4C[C@@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C

InChI Key InChIKey=RZPAXNJLEKLXNO-GFKLAVDKSA-N

Data  2 KI  12 EC50

PDB links: 3 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 20177   

TargetOxysterol-binding protein 1(Homo sapiens)
University of Oklahoma

Curated by ChEMBL
LigandPNGBDBM20177((1S,2R,5S,10S,11S,14R,15S)-14-[(2S,3R)-3-hydroxy-6...)
Affinity DataKi: >2.00E+4nMAssay Description:Displacement of [3H]-25-OHC from human OSBP overexpressed in HEK293T cell lysate assessed as inhibition constant by competitive binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetOxysterol-binding protein 2(Human)
University of Oklahoma

Curated by ChEMBL
LigandPNGBDBM20177((1S,2R,5S,10S,11S,14R,15S)-14-[(2S,3R)-3-hydroxy-6...)
Affinity DataKi: >5.00E+4nMAssay Description:Displacement of [3H]-25-OHC from human ORP4 overexpressed in HEK293T cell lysate assessed as inhibition constant by competitive binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetOxysterols receptor LXR-beta(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM20177((1S,2R,5S,10S,11S,14R,15S)-14-[(2S,3R)-3-hydroxy-6...)
Affinity DataEC50: >1.50E+4nMAssay Description:Agonist activity at human recombinant LXRbeta expressed in Escherichia coli BL21 cells assessed as association of recombinant SRC1 to LXRbeta ligand ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetOxysterols receptor LXR-beta(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM20177((1S,2R,5S,10S,11S,14R,15S)-14-[(2S,3R)-3-hydroxy-6...)
Affinity DataEC50:  1.50E+4nMAssay Description:Effective concentration for cofactor association with recombinant liver X receptor-betaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetNuclear receptor ROR-gamma(Human)
Argenta Discovery

Curated by ChEMBL
LigandPNGBDBM20177((1S,2R,5S,10S,11S,14R,15S)-14-[(2S,3R)-3-hydroxy-6...)
Affinity DataEC50:  20nMAssay Description:Displacement of [3H]25-hydroxycholesterol from human RORc-LBD expressed in bacterial expression system after 3 hrs by scintillation counting analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetOxysterols receptor LXR-alpha(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM20177((1S,2R,5S,10S,11S,14R,15S)-14-[(2S,3R)-3-hydroxy-6...)
Affinity DataEC50: >1.50E+4nMAssay Description:Agonist activity at human recombinant LXRalpha expressed in Escherichia coli BL21 cells assessed as association of recombinant SRC1 to LXRalpha ligan...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetOxysterols receptor LXR-beta(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM20177((1S,2R,5S,10S,11S,14R,15S)-14-[(2S,3R)-3-hydroxy-6...)
Affinity DataEC50:  1.50E+3nMAssay Description:Agonist activity at full length human LXRbeta transfected in HEK293T cells co-expressing ABCA1 assessed as increase in luciferase activity measured a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetOxysterols receptor LXR-alpha(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM20177((1S,2R,5S,10S,11S,14R,15S)-14-[(2S,3R)-3-hydroxy-6...)
Affinity DataEC50:  6.71E+3nMAssay Description:Activation of GAL4 fused human LXR alpha expressed in HEK293 cells after 24 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetOxysterols receptor LXR-beta(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM20177((1S,2R,5S,10S,11S,14R,15S)-14-[(2S,3R)-3-hydroxy-6...)
Affinity DataEC50:  4.75E+3nMAssay Description:Activation of GAL4 fused human LXR beta expressed in HEK293 cells after 24 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetNuclear receptor ROR-gamma(Human)
Argenta Discovery

Curated by ChEMBL
LigandPNGBDBM20177((1S,2R,5S,10S,11S,14R,15S)-14-[(2S,3R)-3-hydroxy-6...)
Affinity DataEC50:  20nMAssay Description:Agonist activity at 6xHis tagged human RORgammat LBD (262 to 507 residues) expressed in Escherichia coli BL21 (DE3) assessed as biotinylated SRC1-2 p...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetOxysterols receptor LXR-alpha(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM20177((1S,2R,5S,10S,11S,14R,15S)-14-[(2S,3R)-3-hydroxy-6...)
Affinity DataEC50:  1.20E+3nMAssay Description:Agonist activity at full length human LXRalpha transfected in HEK293T cells co-expressing ABCA1 assessed as increase in luciferase activity measured ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetOxysterols receptor LXR-alpha(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM20177((1S,2R,5S,10S,11S,14R,15S)-14-[(2S,3R)-3-hydroxy-6...)
Affinity DataEC50:  325nMpH: 7.5 T: 22°CAssay Description:The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetOxysterols receptor LXR-alpha(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM20177((1S,2R,5S,10S,11S,14R,15S)-14-[(2S,3R)-3-hydroxy-6...)
Affinity DataEC50:  1.00E+3nMAssay Description:Agonist activity at human LXRalpha-LBD assessed as recruitment of co-activator peptide after 2 hrs by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetOxysterols receptor LXR-alpha(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM20177((1S,2R,5S,10S,11S,14R,15S)-14-[(2S,3R)-3-hydroxy-6...)
Affinity DataEC50:  1.50E+4nMAssay Description:Effective concentration for cofactor association with recombinant liver X receptor-alphaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed