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SMILES: Cc1c(c(nn1C1CC2(C1)CN(C2)C(=O)C=C)-c1ccc2n(CCO)ncc2c1)-c1c(Cl)c(C)cc2[nH]ncc12

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 = 609017   
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))
BDBM609017
PNG
(US11702409, Example 83a | US11702409, Example 83b)
Show SMILES Cc1c(c(nn1C1CC2(C1)CN(C2)C(=O)C=C)-c1ccc2n(CCO)ncc2c1)-c1c(Cl)c(C)cc2[nH]ncc12 |(-2.96,-2.11,;-1.49,-1.63,;-.25,-2.54,;1,-1.63,;.52,-.17,;-1.02,-.17,;-1.92,1.08,;-1.68,2.6,;-3.2,2.84,;-3.44,1.32,;-2.96,4.36,;-4.48,4.6,;-4.72,3.08,;-5.39,5.85,;-4.69,7.22,;-6.93,5.85,;-7.7,7.18,;2.47,-2.11,;2.79,-3.61,;4.25,-4.09,;5.39,-3.06,;6.93,-3.22,;7.7,-4.55,;6.93,-5.89,;7.7,-7.22,;7.55,-1.81,;6.41,-.78,;5.07,-1.55,;3.61,-1.08,;-.25,-4.08,;-1.58,-4.85,;-2.91,-4.08,;-1.58,-6.39,;-2.91,-7.16,;-.25,-7.16,;1.09,-6.39,;2.55,-6.86,;3.46,-5.62,;2.55,-4.37,;1.09,-4.85,)|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 4.00E+3n/an/an/an/an/an/a


TBA



Citation and Details

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


(Homo sapiens (Human))
BDBM609017
PNG
(US11702409, Example 83a | US11702409, Example 83b)
Show SMILES Cc1c(c(nn1C1CC2(C1)CN(C2)C(=O)C=C)-c1ccc2n(CCO)ncc2c1)-c1c(Cl)c(C)cc2[nH]ncc12 |(-2.96,-2.11,;-1.49,-1.63,;-.25,-2.54,;1,-1.63,;.52,-.17,;-1.02,-.17,;-1.92,1.08,;-1.68,2.6,;-3.2,2.84,;-3.44,1.32,;-2.96,4.36,;-4.48,4.6,;-4.72,3.08,;-5.39,5.85,;-4.69,7.22,;-6.93,5.85,;-7.7,7.18,;2.47,-2.11,;2.79,-3.61,;4.25,-4.09,;5.39,-3.06,;6.93,-3.22,;7.7,-4.55,;6.93,-5.89,;7.7,-7.22,;7.55,-1.81,;6.41,-.78,;5.07,-1.55,;3.61,-1.08,;-.25,-4.08,;-1.58,-4.85,;-2.91,-4.08,;-1.58,-6.39,;-2.91,-7.16,;-.25,-7.16,;1.09,-6.39,;2.55,-6.86,;3.46,-5.62,;2.55,-4.37,;1.09,-4.85,)|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 18n/an/an/an/an/an/a


TBA



Citation and Details

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