BindingDB logo
myBDB logout

BDBM50217096 CHEMBL105267

SMILES: N[C@@H]1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1

InChI Key: InChIKey=RRBSCZCNYAJFEJ-LJQANCHMSA-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 = 50217096   
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))
BDBM50217096
PNG
(CHEMBL105267)
Show SMILES N[C@@H]1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1
Show InChI InChI=1S/C20H23N3O/c21-14-16-2-4-17(5-3-16)18-6-8-20(9-7-18)24-13-1-11-23-12-10-19(22)15-23/h2-9,19H,1,10-13,15,22H2/t19-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
6.20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human cloned Histamine 3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50217096
PNG
(CHEMBL105267)
Show SMILES N[C@@H]1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1
Show InChI InChI=1S/C20H23N3O/c21-14-16-2-4-17(5-3-16)18-6-8-20(9-7-18)24-13-1-11-23-12-10-19(22)15-23/h2-9,19H,1,10-13,15,22H2/t19-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
63n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at rat cortical Histamine 3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Homo sapiens (Human))
BDBM50217096
PNG
(CHEMBL105267)
Show SMILES N[C@@H]1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1
Show InChI InChI=1S/C20H23N3O/c21-14-16-2-4-17(5-3-16)18-6-8-20(9-7-18)24-13-1-11-23-12-10-19(22)15-23/h2-9,19H,1,10-13,15,22H2/t19-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
7.41E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human cortical Histamine 2 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50217096
PNG
(CHEMBL105267)
Show SMILES N[C@@H]1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1
Show InChI InChI=1S/C20H23N3O/c21-14-16-2-4-17(5-3-16)18-6-8-20(9-7-18)24-13-1-11-23-12-10-19(22)15-23/h2-9,19H,1,10-13,15,22H2/t19-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.38E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human cortical Histamine 1 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair