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BDBM50139387 4-{2-[2-((2R,5R)-2,5-Dimethyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-yl}-benzonitrile::CHEMBL161796

SMILES: C[C@@H]1CC[C@@H](C)N1CCc1cc2cc(ccc2o1)-c1ccc(cc1)C#N

InChI Key: InChIKey=SUXVYLBRHCOYGN-IAGOWNOFSA-N

Data: 4 KI

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 4 hits for monomerid = 50139387   
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 H3 receptor


(Homo sapiens (Human))
BDBM50139387
PNG
(4-{2-[2-((2R,5R)-2,5-Dimethyl-pyrrolidin-1-yl)-eth...)
Show SMILES C[C@@H]1CC[C@@H](C)N1CCc1cc2cc(ccc2o1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C23H24N2O/c1-16-3-4-17(2)25(16)12-11-22-14-21-13-20(9-10-23(21)26-22)19-7-5-18(15-24)6-8-19/h5-10,13-14,16-17H,3-4,11-12H2,1-2H3/t16-,17-/m1/s1
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PubMed
5.10n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency was determined by displacement of [3H]-N-alpha-methyl histamine from cloned human histamine H3 receptor expressed in C6 cells


Bioorg Med Chem Lett 14: 689-93 (2004)


BindingDB Entry DOI: 10.7270/Q20C4V5H
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50139387
PNG
(4-{2-[2-((2R,5R)-2,5-Dimethyl-pyrrolidin-1-yl)-eth...)
Show SMILES C[C@@H]1CC[C@@H](C)N1CCc1cc2cc(ccc2o1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C23H24N2O/c1-16-3-4-17(2)25(16)12-11-22-14-21-13-20(9-10-23(21)26-22)19-7-5-18(15-24)6-8-19/h5-10,13-14,16-17H,3-4,11-12H2,1-2H3/t16-,17-/m1/s1
Reactome pathway
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UniProtKB/SwissProt

DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
5.10n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency was determined by displacement of [3H]N-alpha-methyl histamine from cloned human histamine H3 receptor expressed in C6 cells


Bioorg Med Chem Lett 14: 689-93 (2004)


BindingDB Entry DOI: 10.7270/Q20C4V5H
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50139387
PNG
(4-{2-[2-((2R,5R)-2,5-Dimethyl-pyrrolidin-1-yl)-eth...)
Show SMILES C[C@@H]1CC[C@@H](C)N1CCc1cc2cc(ccc2o1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C23H24N2O/c1-16-3-4-17(2)25(16)12-11-22-14-21-13-20(9-10-23(21)26-22)19-7-5-18(15-24)6-8-19/h5-10,13-14,16-17H,3-4,11-12H2,1-2H3/t16-,17-/m1/s1
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PC cid
PC sid
UniChem

Similars

PubMed
42n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency was determined by displacement of [3H]N-alpha-methyl histamine from histamine H3 receptor of rat cortical membranes


Bioorg Med Chem Lett 14: 689-93 (2004)


BindingDB Entry DOI: 10.7270/Q20C4V5H
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50139387
PNG
(4-{2-[2-((2R,5R)-2,5-Dimethyl-pyrrolidin-1-yl)-eth...)
Show SMILES C[C@@H]1CC[C@@H](C)N1CCc1cc2cc(ccc2o1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C23H24N2O/c1-16-3-4-17(2)25(16)12-11-22-14-21-13-20(9-10-23(21)26-22)19-7-5-18(15-24)6-8-19/h5-10,13-14,16-17H,3-4,11-12H2,1-2H3/t16-,17-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
42n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency was determined by displacement of [3H]-N-alpha-methyl histamine from histamine H3 receptor of rat cortical membranes


Bioorg Med Chem Lett 14: 689-93 (2004)


BindingDB Entry DOI: 10.7270/Q20C4V5H
More data for this
Ligand-Target Pair