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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 = 'BDBM317891'   
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))
BDBM317891
PNG
(US9624217, Compound 44)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(C[C@H]4CC[C@@H](CC4)C(=O)OC)Cc3c2)cc1 |r,wU:26.29,wD:23.22,17.17,(11.42,-1.63,;9.88,-1.63,;9.11,-2.96,;10.45,-3.73,;8.34,-4.3,;7.78,-2.19,;6.44,-2.96,;5.11,-2.19,;5.11,-.65,;3.78,.12,;2.44,-.65,;1.11,.12,;1.11,1.66,;-.22,-.65,;-.22,-2.19,;-1.56,-2.96,;-2.89,-2.19,;-4.36,-2.67,;-4.75,-4.16,;-6.24,-4.56,;-3.67,-5.25,;-5.26,-1.42,;-6.8,-1.42,;-7.57,-.09,;-6.8,1.24,;-7.57,2.58,;-9.11,2.58,;-9.88,1.24,;-9.11,-.09,;-9.88,3.91,;-11.42,3.91,;-9.11,5.25,;-7.57,5.25,;-4.36,-.18,;-2.89,-.65,;-1.56,.12,;6.44,.12,;7.78,-.65,)|
PDB

KEGG

UniProtKB/SwissProt

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



Vitae Pharmaceuticals, Inc.

US Patent




US Patent US9624217 (2017)


BindingDB Entry DOI: 10.7270/Q29P33RJ
More data for this
Ligand-Target Pair