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BDBM50137655 CHEMBL3752270

SMILES: CN1CCN(CC1)c1nc(NCc2ccccc2)nc-2c1CCc1ccccc-21

InChI Key: InChIKey=XYWXZLNTBBSVNH-UHFFFAOYSA-N

Data: 4 KI  1 EC50

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 = 50137655   
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))
BDBM50137655
PNG
(CHEMBL3752270)
Show SMILES CN1CCN(CC1)c1nc(NCc2ccccc2)nc-2c1CCc1ccccc-21
Show InChI InChI=1S/C24H27N5/c1-28-13-15-29(16-14-28)23-21-12-11-19-9-5-6-10-20(19)22(21)26-24(27-23)25-17-18-7-3-2-4-8-18/h2-10H,11-17H2,1H3,(H,25,26,27)
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1.59E+3n/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 H1 receptor


(Homo sapiens (Human))
BDBM50137655
PNG
(CHEMBL3752270)
Show SMILES CN1CCN(CC1)c1nc(NCc2ccccc2)nc-2c1CCc1ccccc-21
Show InChI InChI=1S/C24H27N5/c1-28-13-15-29(16-14-28)23-21-12-11-19-9-5-6-10-20(19)22(21)26-24(27-23)25-17-18-7-3-2-4-8-18/h2-10H,11-17H2,1H3,(H,25,26,27)
PDB

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2.09E+3n/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 H3 receptor


(Homo sapiens (Human))
BDBM50137655
PNG
(CHEMBL3752270)
Show SMILES CN1CCN(CC1)c1nc(NCc2ccccc2)nc-2c1CCc1ccccc-21
Show InChI InChI=1S/C24H27N5/c1-28-13-15-29(16-14-28)23-21-12-11-19-9-5-6-10-20(19)22(21)26-24(27-23)25-17-18-7-3-2-4-8-18/h2-10H,11-17H2,1H3,(H,25,26,27)
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6.03E+3n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine from human histamine 3 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 H2 receptor


(Homo sapiens (Human))
BDBM50137655
PNG
(CHEMBL3752270)
Show SMILES CN1CCN(CC1)c1nc(NCc2ccccc2)nc-2c1CCc1ccccc-21
Show InChI InChI=1S/C24H27N5/c1-28-13-15-29(16-14-28)23-21-12-11-19-9-5-6-10-20(19)22(21)26-24(27-23)25-17-18-7-3-2-4-8-18/h2-10H,11-17H2,1H3,(H,25,26,27)
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6.92E+3n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Displacement of [3H]UR-DE257 from human histamine 2 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))
BDBM50137655
PNG
(CHEMBL3752270)
Show SMILES CN1CCN(CC1)c1nc(NCc2ccccc2)nc-2c1CCc1ccccc-21
Show InChI InChI=1S/C24H27N5/c1-28-13-15-29(16-14-28)23-21-12-11-19-9-5-6-10-20(19)22(21)26-24(27-23)25-17-18-7-3-2-4-8-18/h2-10H,11-17H2,1H3,(H,25,26,27)
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n/an/an/an/a 933n/an/an/an/a



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

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine 4 receptor expressed in Sf9 cell membranes co-expressing Galphai2 and Gbeta1gamma2 assessed as [35S]GTPgammaS ...


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


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