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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'GTPase KRas [G12C]' and Ligand = 'BDBM608943'   
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
GTPase KRas [G12C]


(Homo sapiens (Human))
BDBM608943
PNG
(US11702409, Example 44a | US11702409, Example 44b)
Show SMILES COCCN1CCc2cc(ccc12)-c1nn(C2CC3(C2)CN(C3)C(=O)C=C)c(C)c1-c1c(Cl)c(C)cc2[nH]ncc12 |(9.59,-6.07,;8.05,-6.07,;7.28,-4.73,;5.74,-4.73,;4.97,-3.4,;5.59,-1.99,;4.45,-.96,;3.12,-1.73,;1.65,-1.26,;.51,-2.29,;.83,-3.79,;2.29,-4.27,;3.44,-3.24,;-.96,-1.81,;-1.43,-.35,;-2.97,-.35,;-3.74,.99,;-5.23,1.39,;-4.83,2.87,;-3.35,2.48,;-6.32,3.27,;-5.92,4.76,;-4.43,4.36,;-7.01,5.85,;-6.61,7.34,;-8.5,5.45,;-9.59,6.54,;-3.45,-1.81,;-4.91,-2.29,;-2.2,-2.72,;-2.2,-4.26,;-3.54,-5.03,;-4.87,-4.26,;-3.54,-6.57,;-4.87,-7.34,;-2.2,-7.34,;-.87,-6.57,;.59,-7.04,;1.5,-5.8,;.59,-4.55,;-.87,-5.03,)|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 19n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q20V8HXK
More data for this
Ligand-Target Pair
GTPase KRas [G12C]


(Homo sapiens (Human))
BDBM608943
PNG
(US11702409, Example 44a | US11702409, Example 44b)
Show SMILES COCCN1CCc2cc(ccc12)-c1nn(C2CC3(C2)CN(C3)C(=O)C=C)c(C)c1-c1c(Cl)c(C)cc2[nH]ncc12 |(9.59,-6.07,;8.05,-6.07,;7.28,-4.73,;5.74,-4.73,;4.97,-3.4,;5.59,-1.99,;4.45,-.96,;3.12,-1.73,;1.65,-1.26,;.51,-2.29,;.83,-3.79,;2.29,-4.27,;3.44,-3.24,;-.96,-1.81,;-1.43,-.35,;-2.97,-.35,;-3.74,.99,;-5.23,1.39,;-4.83,2.87,;-3.35,2.48,;-6.32,3.27,;-5.92,4.76,;-4.43,4.36,;-7.01,5.85,;-6.61,7.34,;-8.5,5.45,;-9.59,6.54,;-3.45,-1.81,;-4.91,-2.29,;-2.2,-2.72,;-2.2,-4.26,;-3.54,-5.03,;-4.87,-4.26,;-3.54,-6.57,;-4.87,-7.34,;-2.2,-7.34,;-.87,-6.57,;.59,-7.04,;1.5,-5.8,;.59,-4.55,;-.87,-5.03,)|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a>5.00E+3n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q20V8HXK
More data for this
Ligand-Target Pair