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SMILES: CCc1cccc2cc(O)cc(-c3nc4OC[C@@H]5[C@@H]6CC[C@H](CN5c5nc(OC[C@@]78CCCN7C[C@H](F)C8)nc(c3F)c45)N6)c12

InChI Key:

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 647778   
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 [G12D]


(Homo sapiens (Human))
BDBM647778
PNG
(US20240025919, Compound 5)
Show SMILES CCc1cccc2cc(O)cc(-c3nc4OC[C@@H]5[C@@H]6CC[C@H](CN5c5nc(OC[C@@]78CCCN7C[C@H](F)C8)nc(c3F)c45)N6)c12 |r|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.0600n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
GTPase KRas


(Homo sapiens (Human))
BDBM647778
PNG
(US20240025919, Compound 5)
Show SMILES CCc1cccc2cc(O)cc(-c3nc4OC[C@@H]5[C@@H]6CC[C@H](CN5c5nc(OC[C@@]78CCCN7C[C@H](F)C8)nc(c3F)c45)N6)c12 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 2.12n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair