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SMILES: C[C@H]1OC(=O)[C@@]2(CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(c(C)n3)-c3ccccc3C#N)[C@H]12)C(N)=O

InChI Key: InChIKey=BZWUQBGOWKHPIR-YYAHKPHASA-N

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 = 247037   
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))
BDBM247037
PNG
((1R,3aR,6S,7R, 7aS)-7-((E)-2-(5- (2-cyanophenyl)- ...)
Show SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(c(C)n3)-c3ccccc3C#N)[C@H]12)C(N)=O |r|
Show InChI InChI=1S/C26H25F2N3O3/c1-14-19(22-16(3)34-24(33)25(22,23(30)32)13-26(14,27)28)10-8-18-9-11-20(15(2)31-18)21-7-5-4-6-17(21)12-29/h4-11,14,16,19,22H,13H2,1-3H3,(H2,30,32)/b10-8+/t14-,16+,19-,22-,25+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.00E+4n/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Drug cardiac arrhythmia is an important safety concern for pharmaceutical development and health regulatory authorities. Blockade of heterologously-e...


US Patent US9701669 (2017)


BindingDB Entry DOI: 10.7270/Q2PC34DS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MARK2


(Homo sapiens (Human))
BDBM247037
PNG
((1R,3aR,6S,7R, 7aS)-7-((E)-2-(5- (2-cyanophenyl)- ...)
Show SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(c(C)n3)-c3ccccc3C#N)[C@H]12)C(N)=O |r|
Show InChI InChI=1S/C26H25F2N3O3/c1-14-19(22-16(3)34-24(33)25(22,23(30)32)13-26(14,27)28)10-8-18-9-11-20(15(2)31-18)21-7-5-4-6-17(21)12-29/h4-11,14,16,19,22H,13H2,1-3H3,(H2,30,32)/b10-8+/t14-,16+,19-,22-,25+/m0/s1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.92n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
This assay measures the potency of the inventive compounds as PAR-1 receptor antagonists.Frozen HEK 293 Cells were plated in 384-well PDL coated plat...


US Patent US9701669 (2017)


BindingDB Entry DOI: 10.7270/Q2PC34DS
More data for this
Ligand-Target Pair