BindingDB logo
myBDB logout

null

SMILES: C[C@@H]1Oc2nc(c(F)c3nc(OC[C@@]45CCN4CC(F)(F)C5)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1cc(O)cc2cccc(C#C)c12

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 = 647793   
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))
BDBM647793
PNG
(US20240025919, Compound 20)
Show SMILES C[C@@H]1Oc2nc(c(F)c3nc(OC[C@@]45CCN4CC(F)(F)C5)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1cc(O)cc2cccc(C#C)c12 |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


(Homo sapiens (Human))
BDBM647793
PNG
(US20240025919, Compound 20)
Show SMILES C[C@@H]1Oc2nc(c(F)c3nc(OC[C@@]45CCN4CC(F)(F)C5)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1cc(O)cc2cccc(C#C)c12 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 6.55n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair