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SMILES: C[C@@H](NC(=O)c1cccnc1)C(=O)N1CCN(CCCOc2ccc(-c3noc(n3)-c3ccccc3)c(F)c2)CC1

InChI Key: InChIKey=AZSDBZCRHARECA-OAQYLSRUSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50139322   
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))
BDBM50139322
PNG
(1,6-Dihydro-pyridine-3-carboxylic acid [(R)-2-(4-{...)
Show SMILES C[C@@H](NC(=O)c1cccnc1)C(=O)N1CCN(CCCOc2ccc(-c3noc(n3)-c3ccccc3)c(F)c2)CC1
Show InChI InChI=1S/C30H31FN6O4/c1-21(33-28(38)23-9-5-12-32-20-23)30(39)37-16-14-36(15-17-37)13-6-18-40-24-10-11-25(26(31)19-24)27-34-29(41-35-27)22-7-3-2-4-8-22/h2-5,7-12,19-21H,6,13-18H2,1H3,(H,33,38)/t21-/m1/s1
PDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
2.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for rat histamine H3 receptor on rat cortical cells


Bioorg Med Chem Lett 14: 673-6 (2004)


BindingDB Entry DOI: 10.7270/Q2H994MH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50139322
PNG
(1,6-Dihydro-pyridine-3-carboxylic acid [(R)-2-(4-{...)
Show SMILES C[C@@H](NC(=O)c1cccnc1)C(=O)N1CCN(CCCOc2ccc(-c3noc(n3)-c3ccccc3)c(F)c2)CC1
Show InChI InChI=1S/C30H31FN6O4/c1-21(33-28(38)23-9-5-12-32-20-23)30(39)37-16-14-36(15-17-37)13-6-18-40-24-10-11-25(26(31)19-24)27-34-29(41-35-27)22-7-3-2-4-8-22/h2-5,7-12,19-21H,6,13-18H2,1H3,(H,33,38)/t21-/m1/s1
PDB

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UniProtKB/SwissProt

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antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
27n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human histamine H3 receptor on human colon cells


Bioorg Med Chem Lett 14: 673-6 (2004)


BindingDB Entry DOI: 10.7270/Q2H994MH
More data for this
Ligand-Target Pair