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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'GTPase KRas [G12D]' and Ligand = 'BDBM629322'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
GTPase KRas [G12D]


(Homo sapiens (Human))
BDBM629322
PNG
(US20230339981, Example 2 | US20240025919, Compound...)
Show SMILES Oc1cc(-c2nc3OC[C@@H]4[C@@H]5CC[C@H](CN4c4nc(OC[C@@]67CCCN6C[C@H](F)C7)nc(c2F)c34)N5)c2c(C#C)c(F)ccc2c1 |r|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.0850n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM629322
PNG
(US20230339981, Example 2 | US20240025919, Compound...)
Show SMILES Oc1cc(-c2nc3OC[C@@H]4[C@@H]5CC[C@H](CN4c4nc(OC[C@@]67CCCN6C[C@H](F)C7)nc(c2F)c34)N5)c2c(C#C)c(F)ccc2c1 |r|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.200n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair