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SMILES: C[C@H]1OC(=O)[C@]2(CC(N)=O)CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3cccnc3C#N)[C@H]12

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 = 247046   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM247046
PNG
(2-((1R,3aR,6S, 7R,7aS)-7-((E)- 2- (2'-cyano-[3...)
Show SMILES C[C@H]1OC(=O)[C@]2(CC(N)=O)CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3cccnc3C#N)[C@H]12 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a 2.19E+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))
BDBM247046
PNG
(2-((1R,3aR,6S, 7R,7aS)-7-((E)- 2- (2'-cyano-[3...)
Show SMILES C[C@H]1OC(=O)[C@]2(CC(N)=O)CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3cccnc3C#N)[C@H]12 |r|
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a 21.2n/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