BDBM368614 N-(3-(1-((1R,2S,4S)-bicyclo[2.2.1]heptane-2- carbonyl)piperidin-4-yl)-1,4-dimethyl-1H-pyrrolo[2,3- b]pyridin-5-yl)-3-cyanobenzamide. LC/MS [M + H] = 496.2; Chiral LC: Rt = 2.47 min (Method I); 1H NMR (400 MHz, CDCl3) $#948; 8.32-8.08 (m, 4H), 7.87-7.85 (m, 1H), 7.68-7.64 (m, 1H), 6.93-6.90 (m, 1H), 4.84-4.76 (m, 1H), 4.17-4.14 (m, 1H), 3.83 (s, 3H), 3.21-3.14 (m, 2H), 2.98-2.95 (m, 1H), 2.68-2.60 (m, 4H), 2.43- 2.39 (m, 1H), 2.28 (s, 1H), 2.14-1.36 (m, 12H).::US10227346, Example 35::US10426135, Example 35

SMILES Cc1c(NC(=O)c2cccc(c2)C#N)cnc2n(C)cc(C3CCN(CC3)C(=O)C3CC4CC[C@@H]3C4)c12

InChI Key InChIKey=ZROQDFAPXXPPAV-HWDGFJGFSA-N

Data  2 IC50

  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 2 hits for monomerid = 368614   

TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Pfizer

US Patent
LigandPNGBDBM368614(N-(3-(1-((1R,2S,4S)-bicyclo[2.2.1]heptane-2- carbo...)
Affinity DataIC50:  7.20nMAssay Description:The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Pfizer

US Patent
LigandPNGBDBM368614(N-(3-(1-((1R,2S,4S)-bicyclo[2.2.1]heptane-2- carbo...)
Affinity DataIC50:  7.20nMAssay Description:The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent