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SMILES: Cn1cncc1C(O)(c1ccc(nc1)C(F)(F)F)c1ccc2nc(C#N)c(Oc3ccccc3)c(C#N)c2c1

InChI Key: InChIKey=HOBABKIULJKSFW-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 221248   
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 [258-518,Y502F]


(Homo sapiens (Human))		BDBM221248
PNG
(US9303015, 22a)
Show SMILES Cn1cncc1C(O)(c1ccc(nc1)C(F)(F)F)c1ccc2nc(C#N)c(Oc3ccccc3)c(C#N)c2c1
Show InChI InChI=1S/C28H17F3N6O2/c1-37-16-34-15-25(37)27(38,18-8-10-24(35-14-18)28(29,30)31)17-7-9-22-20(11-17)21(12-32)26(23(13-33)36-22)39-19-5-3-2-4-6-19/h2-11,14-16,38H,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.00E+3n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
The reporter assay was performed by transiently transfecting HEK293T cells with 5 μg of pBIND-RORγt LBD or pBIND-RORγt LBD-AF2 and 5 &...

US Patent US9303015 (2016)


BindingDB Entry DOI: 10.7270/Q29P30H5
More data for this
Ligand-Target Pair