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BDBM50131441 9,13b-dihydro-1H-dibenzo[c,f]imidazo[1,5-a]azepin-3-amine::CHEMBL1106::EPINASTINE::Elestat::Flurinol::WAL 80::WAL 801::epinastine hydrochloride

SMILES: NC1=NCC2N1c1ccccc1Cc1ccccc21

InChI Key: InChIKey=WHWZLSFABNNENI-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50131441   
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 potassium channel


(Homo sapiens (human))
BDBM50131441
PNG
(9,13b-dihydro-1H-dibenzo[c,f]imidazo[1,5-a]azepin-...)
Show SMILES NC1=NCC2N1c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C16H15N3/c17-16-18-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)19(15)16/h1-8,15H,9-10H2,(H2,17,18)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Gedeon Richter Ltd

Curated by ChEMBL


Assay Description
Inhibition of human Potassium channel HERG expressed in mammalian cells


Citation and Details
More data for this
Ligand-Target Pair
Multidrug and toxin extrusion protein 2


(Homo sapiens)
BDBM50131441
PNG
(9,13b-dihydro-1H-dibenzo[c,f]imidazo[1,5-a]azepin-...)
Show SMILES NC1=NCC2N1c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C16H15N3/c17-16-18-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)19(15)16/h1-8,15H,9-10H2,(H2,17,18)
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n/an/a 2.98E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay


J Med Chem 56: 781-95 (2013)

More data for this
Ligand-Target Pair
Solute carrier family 22 member 2


(Homo sapiens)
BDBM50131441
PNG
(9,13b-dihydro-1H-dibenzo[c,f]imidazo[1,5-a]azepin-...)
Show SMILES NC1=NCC2N1c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C16H15N3/c17-16-18-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)19(15)16/h1-8,15H,9-10H2,(H2,17,18)
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n/an/a 4.30E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay


J Med Chem 56: 781-95 (2013)

More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50131441
PNG
(9,13b-dihydro-1H-dibenzo[c,f]imidazo[1,5-a]azepin-...)
Show SMILES NC1=NCC2N1c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C16H15N3/c17-16-18-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)19(15)16/h1-8,15H,9-10H2,(H2,17,18)
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n/an/a 1.58n/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Potency against histamine H1 receptor on guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50131441
PNG
(9,13b-dihydro-1H-dibenzo[c,f]imidazo[1,5-a]azepin-...)
Show SMILES NC1=NCC2N1c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C16H15N3/c17-16-18-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)19(15)16/h1-8,15H,9-10H2,(H2,17,18)
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n/an/a 9.12E+4n/an/an/an/an/an/a



Reverse proteomics research institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against potassium channel HERG


Bioorg Med Chem Lett 15: 2886-90 (2005)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50131441
PNG
(9,13b-dihydro-1H-dibenzo[c,f]imidazo[1,5-a]azepin-...)
Show SMILES NC1=NCC2N1c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C16H15N3/c17-16-18-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)19(15)16/h1-8,15H,9-10H2,(H2,17,18)
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PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by whole cell patch clamp technique


Bioorg Med Chem 16: 6252-60 (2008)

More data for this
Ligand-Target Pair
Multidrug and toxin extrusion protein 1


(Homo sapiens)
BDBM50131441
PNG
(9,13b-dihydro-1H-dibenzo[c,f]imidazo[1,5-a]azepin-...)
Show SMILES NC1=NCC2N1c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C16H15N3/c17-16-18-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)19(15)16/h1-8,15H,9-10H2,(H2,17,18)
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PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay


J Med Chem 56: 781-95 (2013)

More data for this
Ligand-Target Pair