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BDBM64871 N-(6-chloranylpyridin-3-yl)-4-fluoranyl-benzamide::N-(6-chloro-3-pyridinyl)-4-fluorobenzamide::N-(6-chloro-3-pyridyl)-4-fluoro-benzamide::N-(6-chloropyridin-3-yl)-4-fluorobenzamide::ZTZ240::cid_3780776

SMILES: Fc1ccc(cc1)C(=O)Nc1ccc(Cl)nc1

InChI Key: InChIKey=URPKVELJRWKNQS-UHFFFAOYSA-N

Data: 1 IC50  1 Kd  3 EC50

PDB links: 2 PDB IDs match this monomer.

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 = 64871   
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 KQT member 2


(Rattus norvegicus)
BDBM64871
PNG
(N-(6-chloranylpyridin-3-yl)-4-fluoranyl-benzamide ...)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc(Cl)nc1
Show InChI InChI=1S/C12H8ClFN2O/c13-11-6-5-10(7-15-11)16-12(17)8-1-3-9(14)4-2-8/h1-7H,(H,16,17)
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PCBioAssay
n/an/an/an/a 5.80E+3n/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source: Johns Hopkins Ion Channel Center BioAssay Type: Mode of Action, Electrophysiology Source (MLPCN Center Name): Johns Hopkins Ion Channel...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2KW5DHF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Potassium voltage-gated channel subfamily KQT member 2


(Rattus norvegicus)
BDBM64871
PNG
(N-(6-chloranylpyridin-3-yl)-4-fluoranyl-benzamide ...)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc(Cl)nc1
Show InChI InChI=1S/C12H8ClFN2O/c13-11-6-5-10(7-15-11)16-12(17)8-1-3-9(14)4-2-8/h1-7H,(H,16,17)
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n/an/an/an/a 5.90E+3n/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source: Johns Hopkins Ion Channel Center BioAssay Type: Mode of Action, Electrophysiology Source (MLPCN Center Name): Johns Hopkins Ion Channel...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2Z31X37
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Potassium voltage-gated channel subfamily E/KQT member 1


(Homo sapiens (Human))
BDBM64871
PNG
(N-(6-chloranylpyridin-3-yl)-4-fluoranyl-benzamide ...)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc(Cl)nc1
Show InChI InChI=1S/C12H8ClFN2O/c13-11-6-5-10(7-15-11)16-12(17)8-1-3-9(14)4-2-8/h1-7H,(H,16,17)
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Article
PubMed
n/an/a 6.60E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at KCNQ1/MINK expressed in CHO cells assessed as inhibition of KCl-induced 86Rb+ efflux incubated for 10 mins prior to KCl-induct...


ACS Med Chem Lett 2: 481-484 (2011)


Article DOI: 10.1021/ml200053x
BindingDB Entry DOI: 10.7270/Q2R49RVJ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2/3


(Homo sapiens (Human))
BDBM64871
PNG
(N-(6-chloranylpyridin-3-yl)-4-fluoranyl-benzamide ...)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc(Cl)nc1
Show InChI InChI=1S/C12H8ClFN2O/c13-11-6-5-10(7-15-11)16-12(17)8-1-3-9(14)4-2-8/h1-7H,(H,16,17)
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n/an/an/an/a 980n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at KCNQ2/KCNQ3 expressed in CHO cells assessed as increase in KCl-induced 86Rb+ efflux incubated for 10 mins prior to KCl-induction ...


ACS Med Chem Lett 2: 481-484 (2011)


Article DOI: 10.1021/ml200053x
BindingDB Entry DOI: 10.7270/Q2R49RVJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-secretase 1


(Homo sapiens (Human))
BDBM64871
PNG
(N-(6-chloranylpyridin-3-yl)-4-fluoranyl-benzamide ...)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc(Cl)nc1
Show InChI InChI=1S/C12H8ClFN2O/c13-11-6-5-10(7-15-11)16-12(17)8-1-3-9(14)4-2-8/h1-7H,(H,16,17)
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MMDB

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n/an/an/a 1.14E+5n/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to BACE1 (unknown origin) by surface plasmon resonance spectroscopic analysis


J Med Chem 59: 3732-49 (2016)


BindingDB Entry DOI: 10.7270/Q2RF5WXP
More data for this
Ligand-Target Pair