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SMILES: CCS(=O)(=O)c1ccc(nc1)[C@H](CO)NC(=O)c1ccc2[C@H](C(C)C)N(C[C@H]3CC[C@@H](CC3)C(F)(F)F)Cc2c1

InChI Key: InChIKey=VBLQIFIECKVHCK-CWEQTNLESA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 362858   
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))		BDBM362858
PNG
(US9845308, Example 2a)
Show SMILES CCS(=O)(=O)c1ccc(nc1)[C@H](CO)NC(=O)c1ccc2[C@H](C(C)C)N(C[C@H]3CC[C@@H](CC3)C(F)(F)F)Cc2c1 |r,wU:30.34,11.14,wD:27.27,21.22,(11.54,-2.31,;10.21,-3.08,;8.88,-2.31,;8.11,-3.64,;9.65,-.98,;7.54,-1.54,;7.5,.03,;6.16,.8,;4.83,.03,;4.83,-1.51,;6.16,-2.28,;3.49,.8,;3.49,2.34,;4.83,3.11,;2.16,.03,;.83,.8,;.83,2.34,;-.51,.03,;-.51,-1.51,;-1.84,-2.28,;-3.17,-1.51,;-4.64,-1.99,;-5.04,-3.48,;-6.52,-3.87,;-3.95,-4.56,;-5.54,-.74,;-7.08,-.74,;-7.85,.59,;-7.08,1.93,;-7.85,3.26,;-9.39,3.26,;-10.16,1.93,;-9.39,.59,;-10.16,4.59,;-9.39,5.93,;-11.7,4.59,;-10.93,5.93,;-4.64,.5,;-3.17,.03,;-1.84,.8,)|
Show InChI InChI=1S/C29H38F3N3O4S/c1-4-40(38,39)23-10-12-25(33-14-23)26(17-36)34-28(37)20-7-11-24-21(13-20)16-35(27(24)18(2)3)15-19-5-8-22(9-6-19)29(30,31)32/h7,10-14,18-19,22,26-27,36H,4-6,8-9,15-17H2,1-3H3,(H,34,37)/t19-,22-,26-,27-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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 RORγ in a cell-free competition assay with commercially available radio-li...

US Patent US9845308 (2017)


BindingDB Entry DOI: 10.7270/Q2DF6TG9
More data for this
Ligand-Target Pair