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BDBM50359376 CHEMBL1929400::CHEMBL1929401

SMILES: Nc1nc2ccccc2nc1NC(=O)c1ccc(CN2CCCCC2)cc1

InChI Key: InChIKey=SXTDBNDGQWAIKW-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 50359376   
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 receptor (H3)


(Homo sapiens (Human))
BDBM50359376
PNG
(CHEMBL1929400 | CHEMBL1929401)
Show SMILES Nc1nc2ccccc2nc1NC(=O)c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C21H23N5O/c22-19-20(24-18-7-3-2-6-17(18)23-19)25-21(27)16-10-8-15(9-11-16)14-26-12-4-1-5-13-26/h2-3,6-11H,1,4-5,12-14H2,(H2,22,23)(H,24,25,27)
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n/an/a 280n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H3 receptor expressed in HEK293 cells co-transfected with pCRE-Luc gene assessed as inhibition of forskolin/histamin...


Bioorg Med Chem 19: 7158-67 (2011)


Article DOI: 10.1016/j.bmc.2011.09.061
BindingDB Entry DOI: 10.7270/Q24F1R52
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50359376
PNG
(CHEMBL1929400 | CHEMBL1929401)
Show SMILES Nc1nc2ccccc2nc1NC(=O)c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C21H23N5O/c22-19-20(24-18-7-3-2-6-17(18)23-19)25-21(27)16-10-8-15(9-11-16)14-26-12-4-1-5-13-26/h2-3,6-11H,1,4-5,12-14H2,(H2,22,23)(H,24,25,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H4 receptor expressed in HEK293 cells co-transfected with pCRE-Luc gene assessed as inhibition of forskolin/histamin...


Bioorg Med Chem 19: 7158-67 (2011)


Article DOI: 10.1016/j.bmc.2011.09.061
BindingDB Entry DOI: 10.7270/Q24F1R52
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50359376
PNG
(CHEMBL1929400 | CHEMBL1929401)
Show SMILES Nc1nc2ccccc2nc1NC(=O)c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C21H23N5O/c22-19-20(24-18-7-3-2-6-17(18)23-19)25-21(27)16-10-8-15(9-11-16)14-26-12-4-1-5-13-26/h2-3,6-11H,1,4-5,12-14H2,(H2,22,23)(H,24,25,27)
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PubMed
n/an/a 171n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inverse agonist activity at histamine H3 receptor expressed in HEK293 cells co-transfected with pCRE-Luc gene assessed as inhibition of forskolin/his...


Bioorg Med Chem 19: 7158-67 (2011)


Article DOI: 10.1016/j.bmc.2011.09.061
BindingDB Entry DOI: 10.7270/Q24F1R52
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50359376
PNG
(CHEMBL1929400 | CHEMBL1929401)
Show SMILES Nc1nc2ccccc2nc1NC(=O)c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C21H23N5O/c22-19-20(24-18-7-3-2-6-17(18)23-19)25-21(27)16-10-8-15(9-11-16)14-26-12-4-1-5-13-26/h2-3,6-11H,1,4-5,12-14H2,(H2,22,23)(H,24,25,27)
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PubMed
n/an/a 483n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of AChE in rat cortex homogenates using acetylthiocholine iodide as substrate after 15 mins by Ellman's method


Bioorg Med Chem 19: 7158-67 (2011)


Article DOI: 10.1016/j.bmc.2011.09.061
BindingDB Entry DOI: 10.7270/Q24F1R52
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50359376
PNG
(CHEMBL1929400 | CHEMBL1929401)
Show SMILES Nc1nc2ccccc2nc1NC(=O)c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C21H23N5O/c22-19-20(24-18-7-3-2-6-17(18)23-19)25-21(27)16-10-8-15(9-11-16)14-26-12-4-1-5-13-26/h2-3,6-11H,1,4-5,12-14H2,(H2,22,23)(H,24,25,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 313n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of AChE in rat cortex homogenates using acetylthiocholine iodide as substrate after 15 mins by Ellman's method


Bioorg Med Chem 19: 7158-67 (2011)


Article DOI: 10.1016/j.bmc.2011.09.061
BindingDB Entry DOI: 10.7270/Q24F1R52
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50359376
PNG
(CHEMBL1929400 | CHEMBL1929401)
Show SMILES Nc1nc2ccccc2nc1NC(=O)c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C21H23N5O/c22-19-20(24-18-7-3-2-6-17(18)23-19)25-21(27)16-10-8-15(9-11-16)14-26-12-4-1-5-13-26/h2-3,6-11H,1,4-5,12-14H2,(H2,22,23)(H,24,25,27)
Reactome pathway
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H4 receptor expressed in HEK293 cells co-transfected with pCRE-Luc gene assessed as inhibition of forskolin/histamin...


Bioorg Med Chem 19: 7158-67 (2011)


Article DOI: 10.1016/j.bmc.2011.09.061
BindingDB Entry DOI: 10.7270/Q24F1R52
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50359376
PNG
(CHEMBL1929400 | CHEMBL1929401)
Show SMILES Nc1nc2ccccc2nc1NC(=O)c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C21H23N5O/c22-19-20(24-18-7-3-2-6-17(18)23-19)25-21(27)16-10-8-15(9-11-16)14-26-12-4-1-5-13-26/h2-3,6-11H,1,4-5,12-14H2,(H2,22,23)(H,24,25,27)
Reactome pathway
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UniProtKB/SwissProt

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GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 511n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H3 receptor expressed in HEK293 cells co-transfected with pCRE-Luc gene assessed as inhibition of forskolin/histamin...


Bioorg Med Chem 19: 7158-67 (2011)


Article DOI: 10.1016/j.bmc.2011.09.061
BindingDB Entry DOI: 10.7270/Q24F1R52
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50359376
PNG
(CHEMBL1929400 | CHEMBL1929401)
Show SMILES Nc1nc2ccccc2nc1NC(=O)c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C21H23N5O/c22-19-20(24-18-7-3-2-6-17(18)23-19)25-21(27)16-10-8-15(9-11-16)14-26-12-4-1-5-13-26/h2-3,6-11H,1,4-5,12-14H2,(H2,22,23)(H,24,25,27)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 189n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inverse agonist activity at histamine H3 receptor expressed in HEK293 cells co-transfected with pCRE-Luc gene assessed as inhibition of forskolin/his...


Bioorg Med Chem 19: 7158-67 (2011)


Article DOI: 10.1016/j.bmc.2011.09.061
BindingDB Entry DOI: 10.7270/Q24F1R52
More data for this
Ligand-Target Pair