BDBM498074 (5′S)—N-[4-(Ethylsulfonyl)benzyl]-5′-methyl-1-{(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl}-4′,5′-dihydrospiro[piperidine-4,7′-thieno[2,3-c]pyran]-2′-carboxamide::US11008336, Example 16

SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc3C[C@H](C)OC4(CCN(CC4)[C@H](C)c4cnc(nc4)C(F)(F)F)c3s2)cc1

InChI Key InChIKey=PUNMTIDQAMASPV-RBUKOAKNSA-N

Data  4 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 498074   

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

US Patent
LigandPNGBDBM498074((5′S)—N-[4-(Ethylsulfonyl)benzyl]-5′-m...)
Affinity DataKi:  5.88nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM498074((5′S)—N-[4-(Ethylsulfonyl)benzyl]-5′-m...)
Affinity DataKi:  5.90nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM498074((5′S)—N-[4-(Ethylsulfonyl)benzyl]-5′-m...)
Affinity DataKi:  3.11E+3nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetNuclear receptor ROR-beta(Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM498074((5′S)—N-[4-(Ethylsulfonyl)benzyl]-5′-m...)
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
Ligand InfoPC cidPC sid
In DepthDetails US Patent