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SMILES: CCS(=O)(=O)c1ccc(cc1)[C@H](CO)NC(=O)c1cnc2[C@H](Cc3ccccc3)N(CC(F)(F)F)Cc2c1

InChI Key: InChIKey=QBKWZYVJKOMWIW-ZEQRLZLVSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 351687   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM351687
PNG
(US9796710, Compound 22)
Show SMILES CCS(=O)(=O)c1ccc(cc1)[C@H](CO)NC(=O)c1cnc2[C@H](Cc3ccccc3)N(CC(F)(F)F)Cc2c1 |r|
Show InChI InChI=1S/C27H28F3N3O4S/c1-2-38(36,37)22-10-8-19(9-11-22)23(16-34)32-26(35)20-13-21-15-33(17-27(28,29)30)24(25(21)31-14-20)12-18-6-4-3-5-7-18/h3-11,13-14,23-24,34H,2,12,15-17H2,1H3,(H,32,35)/t23-,24-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
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AffyNet 
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 ROR in a cell-free competition assay with commercially available radio-ligand (...

US Patent US9796710 (2017)


BindingDB Entry DOI: 10.7270/Q2RN3B08
More data for this
Ligand-Target Pair