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SMILES: CC(C(N)=O)[C@@]12CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)[C@@H]1[C@@H](C)OC2=O

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 6 hits for monomerid = 247039   
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
MAP/microtubule affinity-regulating kinase 2


(Homo sapiens (Human))
BDBM247039
PNG
(2-((1R,3aR, 6S,7R,7aS)-7- ((E)-2-(5-(2- cyanopheny...)
Show SMILES CC(C(N)=O)[C@@]12CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)[C@@H]1[C@@H](C)OC2=O |r|
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a 4.43n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US9701669 (2017)


Article DOI: 10.1021/jm960225d
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 2


(Homo sapiens (Human))
BDBM247039
PNG
(2-((1R,3aR, 6S,7R,7aS)-7- ((E)-2-(5-(2- cyanopheny...)
Show SMILES CC(C(N)=O)[C@@]12CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)[C@@H]1[C@@H](C)OC2=O |r|
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a 4.07n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US9701669 (2017)


Article DOI: 10.1021/jm960225d
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM247039
PNG
(2-((1R,3aR, 6S,7R,7aS)-7- ((E)-2-(5-(2- cyanopheny...)
Show SMILES CC(C(N)=O)[C@@]12CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)[C@@H]1[C@@H](C)OC2=O |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a 5.97E+4n/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent




US Patent US9701669 (2017)


Article DOI: 10.1021/jm960225d
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM247039
PNG
(2-((1R,3aR, 6S,7R,7aS)-7- ((E)-2-(5-(2- cyanopheny...)
Show SMILES CC(C(N)=O)[C@@]12CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)[C@@H]1[C@@H](C)OC2=O |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a 3.91E+4n/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent




US Patent US9701669 (2017)


Article DOI: 10.1021/jm960225d
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM247039
PNG
(2-((1R,3aR, 6S,7R,7aS)-7- ((E)-2-(5-(2- cyanopheny...)
Show SMILES CC(C(N)=O)[C@@]12CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)[C@@H]1[C@@H](C)OC2=O |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a 2.63E+4n/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent




US Patent US9701669 (2017)


Article DOI: 10.1021/jm960225d
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 2


(Homo sapiens (Human))
BDBM247039
PNG
(2-((1R,3aR, 6S,7R,7aS)-7- ((E)-2-(5-(2- cyanopheny...)
Show SMILES CC(C(N)=O)[C@@]12CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)[C@@H]1[C@@H](C)OC2=O |r|
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a 11.3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US9701669 (2017)


Article DOI: 10.1021/jm960225d
More data for this
Ligand-Target Pair