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SMILES: COc1ccc(Cl)c(c1)-c1ccc(NC(=O)c2ccnn2C)nc1N

InChI Key: InChIKey=ZRJGMDIPCQOGNI-UHFFFAOYSA-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 6 hits for monomerid = 50095311   
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 10 subunit alpha


(Homo sapiens (Human))
BDBM50095311
PNG
(CHEMBL3589904)
Show SMILES COc1ccc(Cl)c(c1)-c1ccc(NC(=O)c2ccnn2C)nc1N
Show InChI InChI=1S/C17H16ClN5O2/c1-23-14(7-8-20-23)17(24)22-15-6-4-11(16(19)21-15)12-9-10(25-2)3-5-13(12)18/h3-9H,1-2H3,(H3,19,21,22,24)
PDB

UniProtKB/SwissProt

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CHEMBL
MCE
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Article
PubMed
n/an/a 190n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.8/beta1 expressed in HEK293 cells by manual patch clamp electrophysiology


ACS Med Chem Lett 6: 650-4 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00059
BindingDB Entry DOI: 10.7270/Q23R0VMJ
More data for this
Ligand-Target Pair
Sodium channel protein type 1 subunit alpha


(Homo sapiens (Human))
BDBM50095311
PNG
(CHEMBL3589904)
Show SMILES COc1ccc(Cl)c(c1)-c1ccc(NC(=O)c2ccnn2C)nc1N
Show InChI InChI=1S/C17H16ClN5O2/c1-23-14(7-8-20-23)17(24)22-15-6-4-11(16(19)21-15)12-9-10(25-2)3-5-13(12)18/h3-9H,1-2H3,(H3,19,21,22,24)
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
MCE
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PubMed
n/an/a 3.70E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.1 expressed in HEK293 cells by IonWorks Quattro selectivity assay


ACS Med Chem Lett 6: 650-4 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00059
BindingDB Entry DOI: 10.7270/Q23R0VMJ
More data for this
Ligand-Target Pair
Sodium channel protein type 10 subunit alpha


(Homo sapiens (Human))
BDBM50095311
PNG
(CHEMBL3589904)
Show SMILES COc1ccc(Cl)c(c1)-c1ccc(NC(=O)c2ccnn2C)nc1N
Show InChI InChI=1S/C17H16ClN5O2/c1-23-14(7-8-20-23)17(24)22-15-6-4-11(16(19)21-15)12-9-10(25-2)3-5-13(12)18/h3-9H,1-2H3,(H3,19,21,22,24)
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
MCE
PC cid
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Article
PubMed
n/an/a 700n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.8 expressed in HEK293 cells assessed as reduction in blue fluorescent signal by VSP-FRET assay


ACS Med Chem Lett 6: 650-4 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00059
BindingDB Entry DOI: 10.7270/Q23R0VMJ
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50095311
PNG
(CHEMBL3589904)
Show SMILES COc1ccc(Cl)c(c1)-c1ccc(NC(=O)c2ccnn2C)nc1N
Show InChI InChI=1S/C17H16ClN5O2/c1-23-14(7-8-20-23)17(24)22-15-6-4-11(16(19)21-15)12-9-10(25-2)3-5-13(12)18/h3-9H,1-2H3,(H3,19,21,22,24)
PDB

KEGG

UniProtKB/SwissProt

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DrugBank
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n/an/a 3.60E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by FRET assay


ACS Med Chem Lett 6: 650-4 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00059
BindingDB Entry DOI: 10.7270/Q23R0VMJ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50095311
PNG
(CHEMBL3589904)
Show SMILES COc1ccc(Cl)c(c1)-c1ccc(NC(=O)c2ccnn2C)nc1N
Show InChI InChI=1S/C17H16ClN5O2/c1-23-14(7-8-20-23)17(24)22-15-6-4-11(16(19)21-15)12-9-10(25-2)3-5-13(12)18/h3-9H,1-2H3,(H3,19,21,22,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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CHEMBL
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PC cid
PC sid
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Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG


ACS Med Chem Lett 6: 650-4 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00059
BindingDB Entry DOI: 10.7270/Q23R0VMJ
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50095311
PNG
(CHEMBL3589904)
Show SMILES COc1ccc(Cl)c(c1)-c1ccc(NC(=O)c2ccnn2C)nc1N
Show InChI InChI=1S/C17H16ClN5O2/c1-23-14(7-8-20-23)17(24)22-15-6-4-11(16(19)21-15)12-9-10(25-2)3-5-13(12)18/h3-9H,1-2H3,(H3,19,21,22,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.70E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 expressed in HEK293 cells by IonWorks Quattro selectivity assay


ACS Med Chem Lett 6: 650-4 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00059
BindingDB Entry DOI: 10.7270/Q23R0VMJ
More data for this
Ligand-Target Pair