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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 = 'BDBM608864'   
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))
BDBM608864
PNG
(US11702409, Example 17a | US11702409, Example 17b)
Show SMILES Cc1c(c(nn1C1CC2(C1)CN(C2)C(=O)C=C)-c1ccc2n(CCN3CCOCC3)ncc2c1)-c1c(Cl)c(C)cc2[nH]ncc12 |(-4.14,-.92,;-2.68,-.44,;-1.43,-1.35,;-.19,-.44,;-.66,1.02,;-2.2,1.02,;-2.97,2.35,;-4.46,2.75,;-4.06,4.24,;-2.58,3.84,;-5.55,4.64,;-5.15,6.13,;-3.66,5.73,;-6.24,7.21,;-5.84,8.7,;-7.73,6.82,;-8.82,7.9,;1.28,-.92,;1.6,-2.43,;3.06,-2.9,;4.21,-1.87,;5.74,-2.03,;6.51,-3.37,;5.74,-4.7,;6.51,-6.03,;5.74,-7.37,;6.51,-8.7,;8.05,-8.7,;8.82,-7.37,;8.05,-6.03,;6.36,-.63,;5.22,.4,;3.89,-.37,;2.42,.11,;-1.43,-2.89,;-2.77,-3.66,;-4.1,-2.89,;-2.77,-5.2,;-4.1,-5.97,;-1.43,-5.97,;-.1,-5.2,;1.36,-5.68,;2.27,-4.43,;1.36,-3.18,;-.1,-3.66,)|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 13n/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))
BDBM608864
PNG
(US11702409, Example 17a | US11702409, Example 17b)
Show SMILES Cc1c(c(nn1C1CC2(C1)CN(C2)C(=O)C=C)-c1ccc2n(CCN3CCOCC3)ncc2c1)-c1c(Cl)c(C)cc2[nH]ncc12 |(-4.14,-.92,;-2.68,-.44,;-1.43,-1.35,;-.19,-.44,;-.66,1.02,;-2.2,1.02,;-2.97,2.35,;-4.46,2.75,;-4.06,4.24,;-2.58,3.84,;-5.55,4.64,;-5.15,6.13,;-3.66,5.73,;-6.24,7.21,;-5.84,8.7,;-7.73,6.82,;-8.82,7.9,;1.28,-.92,;1.6,-2.43,;3.06,-2.9,;4.21,-1.87,;5.74,-2.03,;6.51,-3.37,;5.74,-4.7,;6.51,-6.03,;5.74,-7.37,;6.51,-8.7,;8.05,-8.7,;8.82,-7.37,;8.05,-6.03,;6.36,-.63,;5.22,.4,;3.89,-.37,;2.42,.11,;-1.43,-2.89,;-2.77,-3.66,;-4.1,-2.89,;-2.77,-5.2,;-4.1,-5.97,;-1.43,-5.97,;-.1,-5.2,;1.36,-5.68,;2.27,-4.43,;1.36,-3.18,;-.1,-3.66,)|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.46E+4n/an/an/an/an/an/a


TBA



Citation and Details

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