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SMILES: COc1ccc(cc1)[C@H](O)C(F)(F)CNC(=O)c1c(Cl)ccc(c1F)-c1ccn2nc(N)nc2c1

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 3 hits for monomerid = 534448   
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
Mixed lineage kinase domain-like protein


(Homo sapiens)
BDBM534448
PNG
(WO2022086828, Example 184)
Show SMILES COc1ccc(cc1)[C@H](O)C(F)(F)CNC(=O)c1c(Cl)ccc(c1F)-c1ccn2nc(N)nc2c1 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
UniChem
n/an/a 4.80n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM534448
PNG
(WO2022086828, Example 184)
Show SMILES COc1ccc(cc1)[C@H](O)C(F)(F)CNC(=O)c1c(Cl)ccc(c1F)-c1ccn2nc(N)nc2c1 |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
UniChem
n/an/a 1.70E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM534448
PNG
(WO2022086828, Example 184)
Show SMILES COc1ccc(cc1)[C@H](O)C(F)(F)CNC(=O)c1c(Cl)ccc(c1F)-c1ccn2nc(N)nc2c1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
UniChem
n/an/a 0.400n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair