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SMILES: C[C@@H](NC(=O)c1ccco1)C(=O)N1CCCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1

InChI Key: InChIKey=IDWWRQHTZWPOJT-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 = 50139326   
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))
BDBM50139326
PNG
(CHEMBL349692 | Furan-2-carboxylic acid [(R)-2-(4-{...)
Show SMILES C[C@@H](NC(=O)c1ccco1)C(=O)N1CCCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1
Show InChI InChI=1S/C30H38FN5O5/c1-21(32-29(37)26-9-4-17-40-26)30(38)36-14-5-12-35(15-16-36)13-6-18-39-23-10-11-24(25(31)20-23)28-33-27(41-34-28)19-22-7-2-3-8-22/h4,9-11,17,20-22H,2-3,5-8,12-16,18-19H2,1H3,(H,32,37)/t21-/m1/s1
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UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.830n/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))
BDBM50139326
PNG
(CHEMBL349692 | Furan-2-carboxylic acid [(R)-2-(4-{...)
Show SMILES C[C@@H](NC(=O)c1ccco1)C(=O)N1CCCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1
Show InChI InChI=1S/C30H38FN5O5/c1-21(32-29(37)26-9-4-17-40-26)30(38)36-14-5-12-35(15-16-36)13-6-18-39-23-10-11-24(25(31)20-23)28-33-27(41-34-28)19-22-7-2-3-8-22/h4,9-11,17,20-22H,2-3,5-8,12-16,18-19H2,1H3,(H,32,37)/t21-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
9.30n/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