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SMILES: Cc1c(c(nn1C1CC2(C1)CN(C2)C(=O)C=C)-c1ccccc1)-c1c(Cl)c(C)cc2[nH]nc(N)c12

InChI Key:

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 608994   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
GTPase KRas [G12C]


(Homo sapiens (Human))
BDBM608994
PNG
(US11702409, Example 70a | US11702409, Example 70b)
Show SMILES Cc1c(c(nn1C1CC2(C1)CN(C2)C(=O)C=C)-c1ccccc1)-c1c(Cl)c(C)cc2[nH]nc(N)c12 |(-2.19,-2.79,;-.73,-2.31,;.52,-3.21,;1.77,-2.31,;1.29,-.84,;-.25,-.84,;-1.15,.4,;-.91,1.92,;-2.43,2.16,;-2.68,.64,;-2.19,3.68,;-3.72,3.93,;-3.96,2.4,;-4.62,5.17,;-6.16,5.17,;-3.92,6.54,;-4.76,7.83,;3.23,-2.79,;3.55,-4.29,;5.02,-4.77,;6.16,-3.74,;5.84,-2.23,;4.38,-1.75,;.52,-4.75,;1.85,-5.52,;3.34,-5.13,;1.85,-7.06,;3.19,-7.83,;.52,-7.83,;-.81,-7.06,;-2.28,-7.54,;-3.18,-6.29,;-2.28,-5.05,;-2.75,-3.58,;-.81,-5.52,)|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 2.10E+3n/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))
BDBM608994
PNG
(US11702409, Example 70a | US11702409, Example 70b)
Show SMILES Cc1c(c(nn1C1CC2(C1)CN(C2)C(=O)C=C)-c1ccccc1)-c1c(Cl)c(C)cc2[nH]nc(N)c12 |(-2.19,-2.79,;-.73,-2.31,;.52,-3.21,;1.77,-2.31,;1.29,-.84,;-.25,-.84,;-1.15,.4,;-.91,1.92,;-2.43,2.16,;-2.68,.64,;-2.19,3.68,;-3.72,3.93,;-3.96,2.4,;-4.62,5.17,;-6.16,5.17,;-3.92,6.54,;-4.76,7.83,;3.23,-2.79,;3.55,-4.29,;5.02,-4.77,;6.16,-3.74,;5.84,-2.23,;4.38,-1.75,;.52,-4.75,;1.85,-5.52,;3.34,-5.13,;1.85,-7.06,;3.19,-7.83,;.52,-7.83,;-.81,-7.06,;-2.28,-7.54,;-3.18,-6.29,;-2.28,-5.05,;-2.75,-3.58,;-.81,-5.52,)|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 30n/an/an/an/an/an/a


TBA



Citation and Details

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