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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor subfamily 1 group I member 2' and Ligand = 'BDBM50609808'   
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 subfamily 1 group I member 2


(Homo sapiens (Human))
BDBM50609808
PNG
(CHEMBL5287237)
Show SMILES CCCCOc1ccc(cc1NC(=O)c1nnn(c1C)-c1c(OC)cccc1OC)C(C)(C)C |(-1.78,-5.91,;-1.01,-4.57,;.53,-4.57,;1.3,-3.24,;2.84,-3.24,;3.61,-1.9,;5.15,-1.9,;5.91,-.57,;5.14,.77,;3.6,.77,;2.83,-.57,;1.29,-.57,;.52,.77,;1.29,2.1,;-1.02,.77,;-1.79,-.56,;-3.29,-.24,;-3.45,1.29,;-2.05,1.91,;-1.65,3.4,;-4.79,2.06,;-6.11,1.29,;-6.11,-.25,;-4.78,-1.02,;-7.45,2.05,;-7.45,3.6,;-6.12,4.36,;-4.79,3.6,;-3.45,4.37,;-3.45,5.91,;5.91,2.1,;5.14,3.43,;7.45,2.1,;6.68,3.43,)|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 93n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2


(Homo sapiens (Human))
BDBM50609808
PNG
(CHEMBL5287237)
Show SMILES CCCCOc1ccc(cc1NC(=O)c1nnn(c1C)-c1c(OC)cccc1OC)C(C)(C)C |(-1.78,-5.91,;-1.01,-4.57,;.53,-4.57,;1.3,-3.24,;2.84,-3.24,;3.61,-1.9,;5.15,-1.9,;5.91,-.57,;5.14,.77,;3.6,.77,;2.83,-.57,;1.29,-.57,;.52,.77,;1.29,2.1,;-1.02,.77,;-1.79,-.56,;-3.29,-.24,;-3.45,1.29,;-2.05,1.91,;-1.65,3.4,;-4.79,2.06,;-6.11,1.29,;-6.11,-.25,;-4.78,-1.02,;-7.45,2.05,;-7.45,3.6,;-6.12,4.36,;-4.79,3.6,;-3.45,4.37,;-3.45,5.91,;5.91,2.1,;5.14,3.43,;7.45,2.1,;6.68,3.43,)|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.44E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2


(Homo sapiens (Human))
BDBM50609808
PNG
(CHEMBL5287237)
Show SMILES CCCCOc1ccc(cc1NC(=O)c1nnn(c1C)-c1c(OC)cccc1OC)C(C)(C)C |(-1.78,-5.91,;-1.01,-4.57,;.53,-4.57,;1.3,-3.24,;2.84,-3.24,;3.61,-1.9,;5.15,-1.9,;5.91,-.57,;5.14,.77,;3.6,.77,;2.83,-.57,;1.29,-.57,;.52,.77,;1.29,2.1,;-1.02,.77,;-1.79,-.56,;-3.29,-.24,;-3.45,1.29,;-2.05,1.91,;-1.65,3.4,;-4.79,2.06,;-6.11,1.29,;-6.11,-.25,;-4.78,-1.02,;-7.45,2.05,;-7.45,3.6,;-6.12,4.36,;-4.79,3.6,;-3.45,4.37,;-3.45,5.91,;5.91,2.1,;5.14,3.43,;7.45,2.1,;6.68,3.43,)|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 240n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair