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BDBM50191289 7-chloro-11-(4-methyl-piperazin-1-yl)-dibenzo[b,f][1,4]oxazepine::7-chloro-11-(4-methylpiperazin-1-yl)-dibenzo[b,f][1,4]oxazepine::7-chloro-11-(4-methylpiperazin-1-yl)dibenzo[b,f][1,4]oxazepine::CHEMBL213912::VUF-6884

SMILES: CN1CCN(CC1)C1=Nc2ccc(Cl)cc2Oc2ccccc12

InChI Key: InChIKey=FSRSEANZUZHDHK-UHFFFAOYSA-N

Data: 5 KI  4 Kd

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 9 hits for monomerid = 50191289   
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
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50191289
PNG
(7-chloro-11-(4-methyl-piperazin-1-yl)-dibenzo[b,f]...)
Show SMILES CN1CCN(CC1)C1=Nc2ccc(Cl)cc2Oc2ccccc12 |t:8|
Show InChI InChI=1S/C18H18ClN3O/c1-21-8-10-22(11-9-21)18-14-4-2-3-5-16(14)23-17-12-13(19)6-7-15(17)20-18/h2-7,12H,8-11H2,1H3
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6n/an/an/an/an/an/an/an/a



Griffin Discoveries BV

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human H4 receptor expressed in HEK cell membranes


Bioorg Med Chem Lett 22: 461-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.104
BindingDB Entry DOI: 10.7270/Q2D79BT2
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50191289
PNG
(7-chloro-11-(4-methyl-piperazin-1-yl)-dibenzo[b,f]...)
Show SMILES CN1CCN(CC1)C1=Nc2ccc(Cl)cc2Oc2ccccc12 |t:8|
Show InChI InChI=1S/C18H18ClN3O/c1-21-8-10-22(11-9-21)18-14-4-2-3-5-16(14)23-17-12-13(19)6-7-15(17)20-18/h2-7,12H,8-11H2,1H3
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7.76n/an/an/an/an/an/an/an/a



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Binding affinity to histamine H1 receptor


J Med Chem 51: 7855-65 (2008)


Article DOI: 10.1021/jm800876b
BindingDB Entry DOI: 10.7270/Q29Z964R
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50191289
PNG
(7-chloro-11-(4-methyl-piperazin-1-yl)-dibenzo[b,f]...)
Show SMILES CN1CCN(CC1)C1=Nc2ccc(Cl)cc2Oc2ccccc12 |t:8|
Show InChI InChI=1S/C18H18ClN3O/c1-21-8-10-22(11-9-21)18-14-4-2-3-5-16(14)23-17-12-13(19)6-7-15(17)20-18/h2-7,12H,8-11H2,1H3
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8.30n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]mepyramine from human histamine 1 receptor expressed in Sf9 cell membranes by liquid scintillation counting


Bioorg Med Chem Lett 26: 292-300 (2016)


BindingDB Entry DOI: 10.7270/Q2Z03B0K
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50191289
PNG
(7-chloro-11-(4-methyl-piperazin-1-yl)-dibenzo[b,f]...)
Show SMILES CN1CCN(CC1)C1=Nc2ccc(Cl)cc2Oc2ccccc12 |t:8|
Show InChI InChI=1S/C18H18ClN3O/c1-21-8-10-22(11-9-21)18-14-4-2-3-5-16(14)23-17-12-13(19)6-7-15(17)20-18/h2-7,12H,8-11H2,1H3
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28.2n/an/an/an/an/an/an/an/a



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK cells


J Med Chem 51: 7855-65 (2008)


Article DOI: 10.1021/jm800876b
BindingDB Entry DOI: 10.7270/Q29Z964R
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50191289
PNG
(7-chloro-11-(4-methyl-piperazin-1-yl)-dibenzo[b,f]...)
Show SMILES CN1CCN(CC1)C1=Nc2ccc(Cl)cc2Oc2ccccc12 |t:8|
Show InChI InChI=1S/C18H18ClN3O/c1-21-8-10-22(11-9-21)18-14-4-2-3-5-16(14)23-17-12-13(19)6-7-15(17)20-18/h2-7,12H,8-11H2,1H3
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102n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine 4 receptor expressed in Sf9 cell membranes by liquid scintillation counting


Bioorg Med Chem Lett 26: 292-300 (2016)


BindingDB Entry DOI: 10.7270/Q2Z03B0K
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50191289
PNG
(7-chloro-11-(4-methyl-piperazin-1-yl)-dibenzo[b,f]...)
Show SMILES CN1CCN(CC1)C1=Nc2ccc(Cl)cc2Oc2ccccc12 |t:8|
Show InChI InChI=1S/C18H18ClN3O/c1-21-8-10-22(11-9-21)18-14-4-2-3-5-16(14)23-17-12-13(19)6-7-15(17)20-18/h2-7,12H,8-11H2,1H3
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n/an/an/a 22.2n/an/an/an/an/a



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]Histamine from human histamine H4 receptor transfected in SK-N-MC cells at 30 nM


J Med Chem 49: 4512-6 (2006)


Article DOI: 10.1021/jm051008s
BindingDB Entry DOI: 10.7270/Q2ZP45S3
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50191289
PNG
(7-chloro-11-(4-methyl-piperazin-1-yl)-dibenzo[b,f]...)
Show SMILES CN1CCN(CC1)C1=Nc2ccc(Cl)cc2Oc2ccccc12 |t:8|
Show InChI InChI=1S/C18H18ClN3O/c1-21-8-10-22(11-9-21)18-14-4-2-3-5-16(14)23-17-12-13(19)6-7-15(17)20-18/h2-7,12H,8-11H2,1H3
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n/an/an/a 72n/an/an/an/an/a



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]Histamine from human histamine H4 receptor transfected in SK-N-MC cells at 100 nM


J Med Chem 49: 4512-6 (2006)


Article DOI: 10.1021/jm051008s
BindingDB Entry DOI: 10.7270/Q2ZP45S3
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50191289
PNG
(7-chloro-11-(4-methyl-piperazin-1-yl)-dibenzo[b,f]...)
Show SMILES CN1CCN(CC1)C1=Nc2ccc(Cl)cc2Oc2ccccc12 |t:8|
Show InChI InChI=1S/C18H18ClN3O/c1-21-8-10-22(11-9-21)18-14-4-2-3-5-16(14)23-17-12-13(19)6-7-15(17)20-18/h2-7,12H,8-11H2,1H3
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n/an/an/a 13n/an/an/an/an/a



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]Histamine from human histamine H4 receptor transfected in SK-N-MC cells at 10 nM


J Med Chem 49: 4512-6 (2006)


Article DOI: 10.1021/jm051008s
BindingDB Entry DOI: 10.7270/Q2ZP45S3
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50191289
PNG
(7-chloro-11-(4-methyl-piperazin-1-yl)-dibenzo[b,f]...)
Show SMILES CN1CCN(CC1)C1=Nc2ccc(Cl)cc2Oc2ccccc12 |t:8|
Show InChI InChI=1S/C18H18ClN3O/c1-21-8-10-22(11-9-21)18-14-4-2-3-5-16(14)23-17-12-13(19)6-7-15(17)20-18/h2-7,12H,8-11H2,1H3
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n/an/an/a 10.7n/an/an/an/an/a



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]Histamine from human histamine H4 receptor transfected in SK-N-MC cells


J Med Chem 49: 4512-6 (2006)


Article DOI: 10.1021/jm051008s
BindingDB Entry DOI: 10.7270/Q2ZP45S3
More data for this
Ligand-Target Pair