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SMILES: C[C@@H]1Oc2nc(c(F)c3nc(OC[C@@H]4CC[C@@H]5C[C@H](CCN45)C(=O)N(C)C)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1cc(N)c(F)c(C)c1C(F)(F)F

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 4 hits for monomerid = 647901   
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))
BDBM647901
PNG
(US20240025919, Compound 133)
Show SMILES C[C@@H]1Oc2nc(c(F)c3nc(OC[C@@H]4CC[C@@H]5C[C@H](CCN45)C(=O)N(C)C)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1cc(N)c(F)c(C)c1C(F)(F)F |r|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.120n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
GTPase KRas [G12D]


(Homo sapiens (Human))
BDBM647901
PNG
(US20240025919, Compound 133)
Show SMILES C[C@@H]1Oc2nc(c(F)c3nc(OC[C@@H]4CC[C@@H]5C[C@H](CCN45)C(=O)N(C)C)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1cc(N)c(F)c(C)c1C(F)(F)F |r|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.0800n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
GTPase KRas [G12D]


(Homo sapiens (Human))
BDBM647901
PNG
(US20240025919, Compound 133)
Show SMILES C[C@@H]1Oc2nc(c(F)c3nc(OC[C@@H]4CC[C@@H]5C[C@H](CCN45)C(=O)N(C)C)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1cc(N)c(F)c(C)c1C(F)(F)F |r|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.0800n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
GTPase KRas [G12D]


(Homo sapiens (Human))
BDBM647901
PNG
(US20240025919, Compound 133)
Show SMILES C[C@@H]1Oc2nc(c(F)c3nc(OC[C@@H]4CC[C@@H]5C[C@H](CCN45)C(=O)N(C)C)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1cc(N)c(F)c(C)c1C(F)(F)F |r|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.0800n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair