BDBM302859 (5S′)¿N-{[5-(Ethylsulfonyl)pyridine-2-yl]methyl}-5′-methyl-1-{(1S)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl}-4′,5′-dihydrospiro[piperidine-4,7′thieno[2,3-C]pyran]-2′-carboxamide::US9598431, 2

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-ROUUACIJSA-N

Data  3 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 3 hits for monomerid = 302859   

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

US Patent
LigandPNGBDBM302859((5S′)¿N-{[5-(Ethylsulfonyl)pyridine-2-yl]met...)
Affinity DataKi:  6.24nMAssay 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
LigandPNGBDBM302859((5S′)¿N-{[5-(Ethylsulfonyl)pyridine-2-yl]met...)
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
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM302859((5S′)¿N-{[5-(Ethylsulfonyl)pyridine-2-yl]met...)
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
Ligand InfoPC cidPC sid
In DepthDetails US Patent