BindingDB logo
myBDB logout

null

SMILES: C[C@H]1[C@H](O)CN1c1nc(cc(c1C#N)C(F)(F)F)N1C[C@H]2[C@H](CC(O)=O)[C@H]2C1

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 4 hits for monomerid = 319582   
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
Ketohexokinase


(Homo sapiens (Human))
BDBM319582
PNG
(US10174007, Example 1)
Show SMILES C[C@H]1[C@H](O)CN1c1nc(cc(c1C#N)C(F)(F)F)N1C[C@H]2[C@H](CC(O)=O)[C@H]2C1 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a 5.5n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US10174007 (2019)


Article DOI: 10.1016/j.bmcl.2005.11.052
More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM319582
PNG
(US10174007, Example 1)
Show SMILES C[C@H]1[C@H](O)CN1c1nc(cc(c1C#N)C(F)(F)F)N1C[C@H]2[C@H](CC(O)=O)[C@H]2C1 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a 7.30n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US10174007 (2019)


Article DOI: 10.1016/j.bmcl.2005.11.052
More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM319582
PNG
(US10174007, Example 1)
Show SMILES C[C@H]1[C@H](O)CN1c1nc(cc(c1C#N)C(F)(F)F)N1C[C@H]2[C@H](CC(O)=O)[C@H]2C1 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a 3.30n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US10174007 (2019)


Article DOI: 10.1016/j.bmcl.2005.11.052
More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM319582
PNG
(US10174007, Example 1)
Show SMILES C[C@H]1[C@H](O)CN1c1nc(cc(c1C#N)C(F)(F)F)N1C[C@H]2[C@H](CC(O)=O)[C@H]2C1 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a 1.5n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US10174007 (2019)


Article DOI: 10.1016/j.bmcl.2005.11.052
More data for this
Ligand-Target Pair