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SMILES: Cc1c(c(nn1C1CC2(C1)CN(C2)C(=O)OC(C)(C)C)-c1ccc2nn(CCOS(C)(=O)=O)cc2c1)-c1c(Cl)c(C)cc2n(ncc12)C1CCCCO1

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 = 609011   
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))
BDBM609011
PNG
(US11702409, Example 80a | US11702409, Example 80b)
Show SMILES Cc1c(c(nn1C1CC2(C1)CN(C2)C(=O)OC(C)(C)C)-c1ccc2nn(CCOS(C)(=O)=O)cc2c1)-c1c(Cl)c(C)cc2n(ncc12)C1CCCCO1 |(-8.56,21.58,;-7.07,21.98,;-5.82,21.07,;-4.58,21.98,;-5.05,23.44,;-6.59,23.44,;-7.36,24.77,;-6.96,26.26,;-8.45,26.66,;-8.85,25.17,;-8.05,28.15,;-9.54,28.55,;-9.94,27.06,;-10.63,29.64,;-10.23,31.12,;-12.12,29.24,;-13.21,30.33,;-14.69,29.93,;-12.81,31.81,;-11.72,30.72,;-3.09,21.58,;-2,22.67,;-.51,22.27,;-.11,20.78,;1.26,20.08,;1.02,18.56,;2.11,17.47,;1.71,15.98,;2.8,14.89,;2.4,13.41,;3.89,13.01,;2,11.92,;.91,13.81,;-.5,18.32,;-1.2,19.69,;-2.69,20.09,;-5.82,19.53,;-7.16,18.76,;-8.49,19.53,;-7.16,17.22,;-8.49,16.45,;-5.82,16.45,;-4.49,17.22,;-3.02,16.74,;-2.12,17.99,;-3.02,19.24,;-4.49,18.76,;-2.55,15.28,;-3.58,14.14,;-3.1,12.67,;-1.6,12.35,;-.57,13.5,;-1.04,14.96,)|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 8n/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))
BDBM609011
PNG
(US11702409, Example 80a | US11702409, Example 80b)
Show SMILES Cc1c(c(nn1C1CC2(C1)CN(C2)C(=O)OC(C)(C)C)-c1ccc2nn(CCOS(C)(=O)=O)cc2c1)-c1c(Cl)c(C)cc2n(ncc12)C1CCCCO1 |(-8.56,21.58,;-7.07,21.98,;-5.82,21.07,;-4.58,21.98,;-5.05,23.44,;-6.59,23.44,;-7.36,24.77,;-6.96,26.26,;-8.45,26.66,;-8.85,25.17,;-8.05,28.15,;-9.54,28.55,;-9.94,27.06,;-10.63,29.64,;-10.23,31.12,;-12.12,29.24,;-13.21,30.33,;-14.69,29.93,;-12.81,31.81,;-11.72,30.72,;-3.09,21.58,;-2,22.67,;-.51,22.27,;-.11,20.78,;1.26,20.08,;1.02,18.56,;2.11,17.47,;1.71,15.98,;2.8,14.89,;2.4,13.41,;3.89,13.01,;2,11.92,;.91,13.81,;-.5,18.32,;-1.2,19.69,;-2.69,20.09,;-5.82,19.53,;-7.16,18.76,;-8.49,19.53,;-7.16,17.22,;-8.49,16.45,;-5.82,16.45,;-4.49,17.22,;-3.02,16.74,;-2.12,17.99,;-3.02,19.24,;-4.49,18.76,;-2.55,15.28,;-3.58,14.14,;-3.1,12.67,;-1.6,12.35,;-.57,13.5,;-1.04,14.96,)|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.30E+3n/an/an/an/an/an/a


TBA



Citation and Details

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