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BDBM329654 US11001583, Compound 10::US9663515, Compound 10

SMILES: CCS(=O)(=O)c1ccc(nc1)[C@H](COC(N)=O)NC(=O)c1cnc2[C@H](C(C)C)N(C[C@H]3CC[C@@H](CC3)C(F)(F)F)Cc2c1

InChI Key: InChIKey=JJFRLGYXYFVWBX-KEBMUCTBSA-N

Data: 2 KI

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 = 329654   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM329654
PNG
(US11001583, Compound 10 | US9663515, Compound 10)
Show SMILES CCS(=O)(=O)c1ccc(nc1)[C@H](COC(N)=O)NC(=O)c1cnc2[C@H](C(C)C)N(C[C@H]3CC[C@@H](CC3)C(F)(F)F)Cc2c1
Show InChI InChI=1S/C29H38F3N5O5S/c1-4-43(40,41)22-9-10-23(34-13-22)24(16-42-28(33)39)36-27(38)19-11-20-15-37(26(17(2)3)25(20)35-12-19)14-18-5-7-21(8-6-18)29(30,31)32/h9-13,17-18,21,24,26H,4-8,14-16H2,1-3H3,(H2,33,39)(H,36,38)/t18-,21-,24-,26-/m0/s1
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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US11001583 (2021)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM329654
PNG
(US11001583, Compound 10 | US9663515, Compound 10)
Show SMILES CCS(=O)(=O)c1ccc(nc1)[C@H](COC(N)=O)NC(=O)c1cnc2[C@H](C(C)C)N(C[C@H]3CC[C@@H](CC3)C(F)(F)F)Cc2c1
Show InChI InChI=1S/C29H38F3N5O5S/c1-4-43(40,41)22-9-10-23(34-13-22)24(16-42-28(33)39)36-27(38)19-11-20-15-37(26(17(2)3)25(20)35-12-19)14-18-5-7-21(8-6-18)29(30,31)32/h9-13,17-18,21,24,26H,4-8,14-16H2,1-3H3,(H2,33,39)(H,36,38)/t18-,21-,24-,26-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals Inc

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9663515 (2017)


BindingDB Entry DOI: 10.7270/Q21N837W
More data for this
Ligand-Target Pair