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BDBM50130514 CHEMBL3634324

SMILES: OC(COc1ccccc1C(=O)c1ccccc1)CN1CCC(CC1)c1cccc2NC(=O)CCc12

InChI Key: InChIKey=DTYXVZRWCMJUOM-UHFFFAOYNA-N

Data: 4 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 4 hits for monomerid = 50130514   
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))
BDBM50130514
PNG
(CHEMBL3634324)
Show SMILES OC(COc1ccccc1C(=O)c1ccccc1)CN1CCC(CC1)c1cccc2NC(=O)CCc12
Show InChI InChI=1/C30H32N2O4/c33-23(20-36-28-12-5-4-9-26(28)30(35)22-7-2-1-3-8-22)19-32-17-15-21(16-18-32)24-10-6-11-27-25(24)13-14-29(34)31-27/h1-12,21,23,33H,13-20H2,(H,31,34)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 7.10E+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))
BDBM50130514
PNG
(CHEMBL3634324)
Show SMILES OC(COc1ccccc1C(=O)c1ccccc1)CN1CCC(CC1)c1cccc2NC(=O)CCc12
Show InChI InChI=1/C30H32N2O4/c33-23(20-36-28-12-5-4-9-26(28)30(35)22-7-2-1-3-8-22)19-32-17-15-21(16-18-32)24-10-6-11-27-25(24)13-14-29(34)31-27/h1-12,21,23,33H,13-20H2,(H,31,34)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 1.30E+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
Sodium channel protein type 9 subunit alpha


(Mus musculus)
BDBM50130514
PNG
(CHEMBL3634324)
Show SMILES OC(COc1ccccc1C(=O)c1ccccc1)CN1CCC(CC1)c1cccc2NC(=O)CCc12
Show InChI InChI=1/C30H32N2O4/c33-23(20-36-28-12-5-4-9-26(28)30(35)22-7-2-1-3-8-22)19-32-17-15-21(16-18-32)24-10-6-11-27-25(24)13-14-29(34)31-27/h1-12,21,23,33H,13-20H2,(H,31,34)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.60E+4n/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))
BDBM50130514
PNG
(CHEMBL3634324)
Show SMILES OC(COc1ccccc1C(=O)c1ccccc1)CN1CCC(CC1)c1cccc2NC(=O)CCc12
Show InChI InChI=1/C30H32N2O4/c33-23(20-36-28-12-5-4-9-26(28)30(35)22-7-2-1-3-8-22)19-32-17-15-21(16-18-32)24-10-6-11-27-25(24)13-14-29(34)31-27/h1-12,21,23,33H,13-20H2,(H,31,34)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 1.80E+4n/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