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SMILES: CCOC[C@H](NC(=O)c1cnc2[C@H](CC)N(C[C@H]3CC[C@@H](CC3)C(F)(F)F)Cc2c1)c1ccc(cc1)S(=O)(=O)CC

InChI Key:

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 329651   
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))
BDBM329651
PNG
(US9663515, Compound 7)
Show SMILES CCOC[C@H](NC(=O)c1cnc2[C@H](CC)N(C[C@H]3CC[C@@H](CC3)C(F)(F)F)Cc2c1)c1ccc(cc1)S(=O)(=O)CC |r,wU:20.23,4.4,wD:17.16,12.12,(6.93,4.75,;5.6,3.98,;5.6,2.44,;4.26,1.67,;4.26,.13,;2.93,-.64,;1.6,.13,;1.6,1.67,;.26,-.64,;.26,-2.18,;-1.07,-2.95,;-2.4,-2.18,;-3.87,-2.66,;-4.64,-3.99,;-5.97,-4.76,;-4.77,-1.41,;-6.31,-1.41,;-7.08,-.08,;-6.31,1.26,;-7.08,2.59,;-8.62,2.59,;-9.39,1.26,;-8.62,-.08,;-9.39,3.93,;-8.62,5.26,;-10.93,3.93,;-10.16,5.26,;-3.87,-.16,;-2.4,-.64,;-1.07,.13,;5.6,-.64,;5.6,-2.18,;6.93,-2.95,;8.31,-2.21,;8.27,-.64,;6.93,.13,;9.65,-2.98,;8.88,-4.31,;10.42,-1.64,;10.98,-3.75,;12.31,-2.98,)|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent




US Patent US9663515 (2017)


Article DOI: 10.1021/jm0500875
More data for this
Ligand-Target Pair