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BDBM50220430 CHEMBL302829

SMILES: CC[C@@H](N)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1

InChI Key: InChIKey=JOFVFDZMGRFHQG-LJQANCHMSA-N

Data: 6 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 6 hits for monomerid = 50220430   
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


(Rattus norvegicus (rat))
BDBM50220430
PNG
(CHEMBL302829)
Show SMILES CC[C@@H](N)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
Show InChI InChI=1S/C21H31N3O3/c1-2-19(22)21(26)24-13-11-23(12-14-24)10-3-15-27-18-8-6-17(7-9-18)20(25)16-4-5-16/h6-9,16,19H,2-5,10-15,22H2,1H3/t19-/m1/s1
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PubMed
1.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Histamine H3 receptor of rat cortical membranes.


Bioorg Med Chem Lett 12: 2035-7 (2002)


BindingDB Entry DOI: 10.7270/Q2RB75SX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220430
PNG
(CHEMBL302829)
Show SMILES CC[C@@H](N)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
Show InChI InChI=1S/C21H31N3O3/c1-2-19(22)21(26)24-13-11-23(12-14-24)10-3-15-27-18-8-6-17(7-9-18)20(25)16-4-5-16/h6-9,16,19H,2-5,10-15,22H2,1H3/t19-/m1/s1
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PubMed
1.90n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Histamine H3 receptor of rat cortical membranes.


Bioorg Med Chem Lett 12: 2035-7 (2002)


BindingDB Entry DOI: 10.7270/Q2RB75SX
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50220430
PNG
(CHEMBL302829)
Show SMILES CC[C@@H](N)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
Show InChI InChI=1S/C21H31N3O3/c1-2-19(22)21(26)24-13-11-23(12-14-24)10-3-15-27-18-8-6-17(7-9-18)20(25)16-4-5-16/h6-9,16,19H,2-5,10-15,22H2,1H3/t19-/m1/s1
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PubMed
2.09E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Histamine H1 receptor of human membranes.


Bioorg Med Chem Lett 12: 2035-7 (2002)


BindingDB Entry DOI: 10.7270/Q2RB75SX
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Homo sapiens (Human))
BDBM50220430
PNG
(CHEMBL302829)
Show SMILES CC[C@@H](N)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
Show InChI InChI=1S/C21H31N3O3/c1-2-19(22)21(26)24-13-11-23(12-14-24)10-3-15-27-18-8-6-17(7-9-18)20(25)16-4-5-16/h6-9,16,19H,2-5,10-15,22H2,1H3/t19-/m1/s1
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PubMed
1.10E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Histamine H2 receptor from human membranes


Bioorg Med Chem Lett 12: 2035-7 (2002)


BindingDB Entry DOI: 10.7270/Q2RB75SX
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50220430
PNG
(CHEMBL302829)
Show SMILES CC[C@@H](N)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
Show InChI InChI=1S/C21H31N3O3/c1-2-19(22)21(26)24-13-11-23(12-14-24)10-3-15-27-18-8-6-17(7-9-18)20(25)16-4-5-16/h6-9,16,19H,2-5,10-15,22H2,1H3/t19-/m1/s1
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PubMed
7.08E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Histamine H1 receptor of human membranes.


Bioorg Med Chem Lett 12: 2035-7 (2002)


BindingDB Entry DOI: 10.7270/Q2RB75SX
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Homo sapiens (Human))
BDBM50220430
PNG
(CHEMBL302829)
Show SMILES CC[C@@H](N)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
Show InChI InChI=1S/C21H31N3O3/c1-2-19(22)21(26)24-13-11-23(12-14-24)10-3-15-27-18-8-6-17(7-9-18)20(25)16-4-5-16/h6-9,16,19H,2-5,10-15,22H2,1H3/t19-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.00E+5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Histamine H2 receptor from human membranes


Bioorg Med Chem Lett 12: 2035-7 (2002)


BindingDB Entry DOI: 10.7270/Q2RB75SX
More data for this
Ligand-Target Pair