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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM317849'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM317849
PNG
( (S)-N-((5-(ethylsulfonyl)pyridin-2-yl)methyl)-7-i...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(C[C@H]4CC[C@@H](CC4)C(F)(F)F)Cc3c2)cc1 |r,wU:26.29,wD:23.22,17.17,(10.83,-2.3,;9.5,-3.07,;8.16,-2.3,;8.93,-.96,;7.39,-3.63,;6.83,-1.53,;5.5,-2.3,;4.16,-1.53,;4.16,.01,;2.83,.78,;1.49,.01,;.16,.78,;.16,2.32,;-1.17,.01,;-1.17,-1.53,;-2.51,-2.3,;-3.84,-1.53,;-5.3,-2,;-5.7,-3.49,;-7.19,-3.89,;-4.61,-4.58,;-6.21,-.76,;-7.75,-.76,;-8.52,.58,;-7.75,1.91,;-8.52,3.24,;-10.06,3.24,;-10.83,1.91,;-10.06,.58,;-10.83,4.58,;-12.37,4.58,;-10.06,5.91,;-9.29,4.58,;-5.3,.49,;-3.84,.01,;-2.51,.78,;5.5,.78,;6.83,.01,)|
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 US9624217 (2017)


Article DOI: 10.1021/jm050483n
More data for this
Ligand-Target Pair