BindingDB logo
myBDB logout

BDBM50130535 CHEMBL3632695

SMILES: OC(=O)\C=C\C(O)=O.COc1cc(ccc1COCC(O)CN1CCC(CC1)N1Cc2ccccc2C1=O)C(F)(F)F

InChI Key: InChIKey=BAQUUINKTMAUEY-WLHGVMLRNA-N

Data: 5 IC50

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 5 hits for monomerid = 50130535   
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
Voltage-gated sodium channel subunit alpha Nav1.1 (Nav1.1)


(Homo sapiens (Human))
BDBM50130535
PNG
(CHEMBL3632695)
Show SMILES OC(=O)\C=C\C(O)=O.COc1cc(ccc1COCC(O)CN1CCC(CC1)N1Cc2ccccc2C1=O)C(F)(F)F
Show InChI InChI=1/C25H29F3N2O4.C4H4O4/c1-33-23-12-19(25(26,27)28)7-6-18(23)15-34-16-21(31)14-29-10-8-20(9-11-29)30-13-17-4-2-3-5-22(17)24(30)32;5-3(6)1-2-4(7)8/h2-7,12,20-21,31H,8-11,13-16H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.1 by IonWorks quattro automated electrophysiology assay


Citation and Details
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM50130535
PNG
(CHEMBL3632695)
Show SMILES OC(=O)\C=C\C(O)=O.COc1cc(ccc1COCC(O)CN1CCC(CC1)N1Cc2ccccc2C1=O)C(F)(F)F
Show InChI InChI=1/C25H29F3N2O4.C4H4O4/c1-33-23-12-19(25(26,27)28)7-6-18(23)15-34-16-21(31)14-29-10-8-20(9-11-29)30-13-17-4-2-3-5-22(17)24(30)32;5-3(6)1-2-4(7)8/h2-7,12,20-21,31H,8-11,13-16H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.7 by IonWorks quattro automated electrophysiology assay


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated sodium channel alpha subunit Nav1.1


(Mus musculus)
BDBM50130535
PNG
(CHEMBL3632695)
Show SMILES OC(=O)\C=C\C(O)=O.COc1cc(ccc1COCC(O)CN1CCC(CC1)N1Cc2ccccc2C1=O)C(F)(F)F
Show InChI InChI=1/C25H29F3N2O4.C4H4O4/c1-33-23-12-19(25(26,27)28)7-6-18(23)15-34-16-21(31)14-29-10-8-20(9-11-29)30-13-17-4-2-3-5-22(17)24(30)32;5-3(6)1-2-4(7)8/h2-7,12,20-21,31H,8-11,13-16H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 670n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mouse NaV1.1 by IonWorks quattro automated electrophysiology assay


Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Mus musculus)
BDBM50130535
PNG
(CHEMBL3632695)
Show SMILES OC(=O)\C=C\C(O)=O.COc1cc(ccc1COCC(O)CN1CCC(CC1)N1Cc2ccccc2C1=O)C(F)(F)F
Show InChI InChI=1/C25H29F3N2O4.C4H4O4/c1-33-23-12-19(25(26,27)28)7-6-18(23)15-34-16-21(31)14-29-10-8-20(9-11-29)30-13-17-4-2-3-5-22(17)24(30)32;5-3(6)1-2-4(7)8/h2-7,12,20-21,31H,8-11,13-16H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 790n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mouse NaV1.7 by IonWorks quattro automated electrophysiology assay


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit Nav1.5


(Homo sapiens (Human))
BDBM50130535
PNG
(CHEMBL3632695)
Show SMILES OC(=O)\C=C\C(O)=O.COc1cc(ccc1COCC(O)CN1CCC(CC1)N1Cc2ccccc2C1=O)C(F)(F)F
Show InChI InChI=1/C25H29F3N2O4.C4H4O4/c1-33-23-12-19(25(26,27)28)7-6-18(23)15-34-16-21(31)14-29-10-8-20(9-11-29)30-13-17-4-2-3-5-22(17)24(30)32;5-3(6)1-2-4(7)8/h2-7,12,20-21,31H,8-11,13-16H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 6.10E+3n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.5 by IonWorks quattro automated electrophysiology assay


Citation and Details
More data for this
Ligand-Target Pair