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BDBM50220421 CHEMBL62050

SMILES: CN[C@H](Cc1ccccc1)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1

InChI Key: InChIKey=NQVNEFLFZVEJSK-RUZDIDTESA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50220421   
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))
BDBM50220421
PNG
(CHEMBL62050)
Show SMILES CN[C@H](Cc1ccccc1)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
Show InChI InChI=1S/C27H35N3O3/c1-28-25(20-21-6-3-2-4-7-21)27(32)30-17-15-29(16-18-30)14-5-19-33-24-12-10-23(11-13-24)26(31)22-8-9-22/h2-4,6-7,10-13,22,25,28H,5,8-9,14-20H2,1H3/t25-/m1/s1
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Article
PubMed
44n/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)


Article DOI: 10.1016/s0960-894x(02)00310-4
BindingDB Entry DOI: 10.7270/Q2RB75SX
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50220421
PNG
(CHEMBL62050)
Show SMILES CN[C@H](Cc1ccccc1)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
Show InChI InChI=1S/C27H35N3O3/c1-28-25(20-21-6-3-2-4-7-21)27(32)30-17-15-29(16-18-30)14-5-19-33-24-12-10-23(11-13-24)26(31)22-8-9-22/h2-4,6-7,10-13,22,25,28H,5,8-9,14-20H2,1H3/t25-/m1/s1
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Article
PubMed
1.35E+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)


Article DOI: 10.1016/s0960-894x(02)00310-4
BindingDB Entry DOI: 10.7270/Q2RB75SX
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Homo sapiens (Human))
BDBM50220421
PNG
(CHEMBL62050)
Show SMILES CN[C@H](Cc1ccccc1)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
Show InChI InChI=1S/C27H35N3O3/c1-28-25(20-21-6-3-2-4-7-21)27(32)30-17-15-29(16-18-30)14-5-19-33-24-12-10-23(11-13-24)26(31)22-8-9-22/h2-4,6-7,10-13,22,25,28H,5,8-9,14-20H2,1H3/t25-/m1/s1
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.78E+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)


Article DOI: 10.1016/s0960-894x(02)00310-4
BindingDB Entry DOI: 10.7270/Q2RB75SX
More data for this
Ligand-Target Pair