BDBM302860 (2S)-1-(3-Thienyl)propan-2-ol::US9598431, 3

SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc3C[C@H](C)OC4(CCN(CC4)[C@H](C)c4cnc(nc4)C(F)(F)F)c3s2)nc1

InChI Key InChIKey=ILXLMNLDODDHOQ-ZWKOTPCHSA-N

Data  7 KI  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 302860   

TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM302860((2S)-1-(3-Thienyl)propan-2-ol | US9598431, 3)
Affinity DataKi:  16.6nMAssay Description:Receptor competition binding assays are run in a buffer made up of DPBS (1 L) (Hyclone #SH30028.03), 2.2 g BSA Fraction v (Roche #9048-46-8), 100 mL ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM302860((2S)-1-(3-Thienyl)propan-2-ol | US9598431, 3)
Affinity DataKi:  17nMAssay Description:Displacement of [3H]-25-hydroxycholesterol from His-Flag-tagged human RORgammat LBD (309 to 508 residues) expressed in Escherichia coli measured afte...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM302860((2S)-1-(3-Thienyl)propan-2-ol | US9598431, 3)
Affinity DataKi:  17nMAssay Description:Inverse agonist activity at GAL4-tagged RORgammat (unknown origin) expressed in HEK293 cells measured after 18 hrs by luciferase assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetNuclear receptor ROR-beta(Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM302860((2S)-1-(3-Thienyl)propan-2-ol | US9598431, 3)
Affinity DataKi: >1.25E+4nMAssay Description:Receptor competition binding assays are run in a buffer made up of DPBS (1 L) (Hyclone #SH30028.03), 2.2 g BSA Fraction v (Roche #9048-46-8), 100 mL ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Lilly Research Laboratories

Curated by ChEMBL
LigandPNGBDBM302860((2S)-1-(3-Thienyl)propan-2-ol | US9598431, 3)
Affinity DataKi: >1.55E+4nMAssay Description:Binding affinity to RORalpha (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear receptor ROR-beta(Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM302860((2S)-1-(3-Thienyl)propan-2-ol | US9598431, 3)
Affinity DataKi: >2.00E+4nMAssay Description:Binding affinity to RORbeta (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Lilly Research Laboratories

Curated by ChEMBL
LigandPNGBDBM302860((2S)-1-(3-Thienyl)propan-2-ol | US9598431, 3)
Affinity DataKi: >2.04E+4nMAssay Description:Receptor competition binding assays are run in a buffer made up of DPBS (1 L) (Hyclone #SH30028.03), 2.2 g BSA Fraction v (Roche #9048-46-8), 100 mL ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM302860((2S)-1-(3-Thienyl)propan-2-ol | US9598431, 3)
Affinity DataIC50:  22nMAssay Description:Inverse agonist activity at GAL4-tagged RORgammat (unknown origin) expressed in HEK293 cells measured after 18 hrs by luciferase assayMore data for this Ligand-Target Pair
In DepthDetails PubMed