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BDBM185986 US9163008, 75::US9656968, Compound 75

SMILES: NC(=O)c1cc(N[C@H]2CCNC2=O)nc(n1)-c1ccc(Oc2ccc(Cl)cc2F)cc1

InChI Key: InChIKey=HICKPJYJOOIJSI-HNNXBMFYSA-N

Data: 2 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 2 hits for monomerid = 185986   
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
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM185986
PNG
(US9163008, 75 | US9656968, Compound 75)
Show SMILES NC(=O)c1cc(N[C@H]2CCNC2=O)nc(n1)-c1ccc(Oc2ccc(Cl)cc2F)cc1 |r|
Show InChI InChI=1S/C21H17ClFN5O3/c22-12-3-6-17(14(23)9-12)31-13-4-1-11(2-5-13)20-27-16(19(24)29)10-18(28-20)26-15-7-8-25-21(15)30/h1-6,9-10,15H,7-8H2,(H2,24,29)(H,25,30)(H,26,27,28)/t15-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 120n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Assay Buffer: The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL...


US Patent US9656968 (2017)


BindingDB Entry DOI: 10.7270/Q2F76FMS
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM185986
PNG
(US9163008, 75 | US9656968, Compound 75)
Show SMILES NC(=O)c1cc(N[C@H]2CCNC2=O)nc(n1)-c1ccc(Oc2ccc(Cl)cc2F)cc1 |r|
Show InChI InChI=1S/C21H17ClFN5O3/c22-12-3-6-17(14(23)9-12)31-13-4-1-11(2-5-13)20-27-16(19(24)29)10-18(28-20)26-15-7-8-25-21(15)30/h1-6,9-10,15H,7-8H2,(H2,24,29)(H,25,30)(H,26,27,28)/t15-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 120n/an/an/an/an/an/a



Purdue Pharma, L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9163008 (2015)


BindingDB Entry DOI: 10.7270/Q2G44P21
More data for this
Ligand-Target Pair