BDBM20182 (1S,2R,5S,10S,11S,14R,15R)-14-[(2R)-6-hydroxy-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-ol::25-Hydroxycholesterol (25OH)::25-hydroxycholesterol

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

InChI Key InChIKey=INBGSXNNRGWLJU-ZHHJOTBYSA-N

Data  2 IC50  3 Kd  9 EC50

PDB links: 10 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 20182   

TargetOxysterols receptor LXR-alpha(Human)
Dartmouth College

LigandPNGBDBM20182((1S,2R,5S,10S,11S,14R,15R)-14-[(2R)-6-hydroxy-6-me...)
Affinity DataEC50:  1.16E+3nMpH: 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
TargetOxysterol-binding protein 2(Human)
Dalhousie University

LigandPNGBDBM20182((1S,2R,5S,10S,11S,14R,15R)-14-[(2R)-6-hydroxy-6-me...)
Affinity DataKd:  17nMpH: 7.4 T: 20°CAssay Description:Recombinant OSBP, ORP4L, or ORP4S (8 pmol) was incubated in 75 μl of binding buffer (10 mM HEPES (pH 7.4), 150 mM KCl, 2% (w/v) polyvinyl alcohol)...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOxysterol-binding protein 2 [1-181,275-916](Human)
Dalhousie University

LigandPNGBDBM20182((1S,2R,5S,10S,11S,14R,15R)-14-[(2R)-6-hydroxy-6-me...)
Affinity DataKd:  23nMpH: 7.4 T: 20°CAssay Description:Recombinant OSBP, ORP4L, or ORP4S (8 pmol) was incubated in 75 μl of binding buffer (10 mM HEPES (pH 7.4), 150 mM KCl, 2% (w/v) polyvinyl alcohol)...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear receptor ROR-gamma(Human)
Argenta Discovery

Curated by ChEMBL
LigandPNGBDBM20182((1S,2R,5S,10S,11S,14R,15R)-14-[(2R)-6-hydroxy-6-me...)
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
TargetNPC1-like intracellular cholesterol transporter 1(Human)
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM20182((1S,2R,5S,10S,11S,14R,15R)-14-[(2R)-6-hydroxy-6-me...)
Affinity DataEC50:  3.30E+3nMAssay Description:Binding affinity to FLAG/tGFP-tagged NPC1 I1061T mutant (unknown origin) expressed in HEK293 cells assessed as localization after 24 hrs by fluoresce...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSterol regulatory element-binding protein 2(Human)
Kyoto University

Curated by ChEMBL
LigandPNGBDBM20182((1S,2R,5S,10S,11S,14R,15R)-14-[(2R)-6-hydroxy-6-me...)
Affinity DataIC50:  300nMAssay Description:Inhibition of SREBP2 activation expressed in CHO-K1 cells cotransfected with pSRE-Luc plasmid assessed as inhibition of luciferase expression after 2...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Human)
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM20182((1S,2R,5S,10S,11S,14R,15R)-14-[(2R)-6-hydroxy-6-me...)
Affinity DataEC50:  630nMAssay Description:Induction of human HMGCR-dCat-ELuc degradation expressed in HEK293 cells assessed as reduction in luciferase activity after 4 hrs by luciferase repor...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear receptor ROR-gamma(Human)
Argenta Discovery

Curated by ChEMBL
LigandPNGBDBM20182((1S,2R,5S,10S,11S,14R,15R)-14-[(2R)-6-hydroxy-6-me...)
Affinity DataEC50:  20nMAssay Description:In vivo luteinising hormone inhibiting potency in rats is expressed as negative logarithm of the concentration (antagonist)More data for this Ligand-Target Pair
TargetAlpha-crystallin B chain(Human)
Zhejiang University

Curated by ChEMBL
LigandPNGBDBM20182((1S,2R,5S,10S,11S,14R,15R)-14-[(2R)-6-hydroxy-6-me...)
Affinity DataEC50:  320nMAssay Description:Inhibition of alpha-crystallin B R120G mutant (unknown origin)-induced intracellular protein aggregation expressed in human HeLa cells or HLE-B3 cell...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear receptor ROR-gamma(Human)
Argenta Discovery

Curated by ChEMBL
LigandPNGBDBM20182((1S,2R,5S,10S,11S,14R,15R)-14-[(2R)-6-hydroxy-6-me...)
Affinity DataEC50:  20nMAssay Description:Activity at 6His-tagged human RORgamma LBD (262 to 507 residues) expressed in Escherichia coli BL21 (DE3) cells assessed as induction of biotinylated...More data for this Ligand-Target Pair
TargetGlutamate receptor ionotropic, NMDA 1/2A(Human)
Sage Therapeutics

Curated by ChEMBL
LigandPNGBDBM20182((1S,2R,5S,10S,11S,14R,15R)-14-[(2R)-6-hydroxy-6-me...)
Affinity DataEC50: >1.00E+4nMAssay Description:Positive allosteric modulation of recombinant human GluN1/GluN2A receptor stably expressed in HEK293 cells assessed as increase in glycine/L-glutamat...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlutamate receptor ionotropic, NMDA 1/2B(Human)
Sage Therapeutics

Curated by ChEMBL
LigandPNGBDBM20182((1S,2R,5S,10S,11S,14R,15R)-14-[(2R)-6-hydroxy-6-me...)
Affinity DataEC50: >1.00E+4nMAssay Description:Positive allosteric modulation of recombinant human GluN1/GluN2B receptor stably expressed in HEK293 cells assessed as increase in glycine/L-glutamat...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-V/beta-3(Human)
Pliant Therapeutics

Curated by ChEMBL
LigandPNGBDBM20182((1S,2R,5S,10S,11S,14R,15R)-14-[(2R)-6-hydroxy-6-me...)
Affinity DataKd:  11nMAssay Description:Binding affinity to human integrin alphavbeta3 by surface plasmon resonance methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Human)
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM20182((1S,2R,5S,10S,11S,14R,15R)-14-[(2R)-6-hydroxy-6-me...)
Affinity DataIC50:  300nMAssay Description:Tested for its inhibitory activity against HMG-CoA reductase transcription in HepG2 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed